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 1gi3_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.187 4.170 0.028 0.000 0.288 16 I C 0.000 176.109 176.117 -0.013 0.000 1.063 16 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.058 0.000 1.214 17 V N 5.635 125.552 119.914 0.005 0.000 2.435 17 V HA 0.254 4.509 4.120 -0.016 -0.144 0.290 17 V C 0.649 176.742 176.094 -0.002 0.000 1.030 17 V CA -1.604 60.695 62.300 -0.002 0.000 0.881 17 V CB 1.218 33.047 31.823 0.009 0.000 0.983 17 V HN 0.734 8.940 8.190 0.027 0.000 0.445 18 G N 6.659 115.452 108.800 -0.012 0.000 2.153 18 G HA2 -0.397 3.551 3.960 -0.019 0.000 0.252 18 G HA3 -0.397 3.705 3.960 -0.037 -0.165 0.252 18 G C -0.643 174.257 174.900 0.001 0.000 0.994 18 G CA 0.519 45.608 45.100 -0.019 0.000 0.698 18 G HN 0.785 9.066 8.290 -0.014 0.000 0.521 19 G N -1.106 107.693 108.800 -0.002 0.000 2.671 19 G HA2 0.494 4.477 3.960 0.053 0.000 0.275 19 G HA3 0.494 4.463 3.960 -0.108 -0.074 0.275 19 G C -1.699 173.228 174.900 0.044 0.000 1.368 19 G CA -1.045 44.047 45.100 -0.014 0.000 1.044 19 G HN -0.668 7.572 8.290 -0.017 0.040 0.543 20 Y N -6.128 114.152 120.300 -0.034 0.000 2.638 20 Y HA 0.389 4.921 4.550 -0.030 0.000 0.339 20 Y C -1.750 174.124 175.900 -0.044 0.000 1.084 20 Y CA -2.885 55.194 58.100 -0.034 0.000 1.068 20 Y CB 1.100 39.542 38.460 -0.029 0.000 1.294 20 Y HN 0.314 8.112 8.280 -0.627 0.106 0.480 21 T N 2.591 117.203 114.554 0.097 0.000 2.799 21 T HA 0.086 4.511 4.350 -0.091 -0.130 0.296 21 T C -0.081 174.645 174.700 0.044 0.000 0.947 21 T CA 1.265 63.368 62.100 0.005 0.000 1.141 21 T CB -0.113 68.781 68.868 0.044 0.000 0.891 21 T HN 0.108 8.455 8.240 0.178 0.000 0.533 22 c N 5.708 124.243 118.600 -0.108 0.000 2.413 22 c HA -0.149 4.433 4.570 0.020 0.000 0.276 22 c C 0.381 174.490 174.090 0.032 0.000 1.236 22 c CA 0.815 57.111 56.329 -0.055 0.000 1.735 22 c CB -0.056 42.351 42.510 -0.172 0.000 2.031 22 c HN 0.141 8.253 8.230 -0.196 0.000 0.474 23 G N -2.033 106.769 108.800 0.004 0.000 3.055 23 G HA2 -0.166 3.809 3.960 0.025 0.000 0.685 23 G HA3 -0.166 3.811 3.960 0.029 0.000 0.685 23 G C -1.920 172.980 174.900 -0.000 0.000 1.212 23 G CA -0.797 44.314 45.100 0.018 0.000 0.822 23 G HN -0.338 7.938 8.290 -0.024 0.000 0.610 24 A N 4.017 126.844 122.820 0.013 0.000 2.567 24 A HA -0.244 4.324 4.320 0.024 -0.233 0.240 24 A C -0.291 177.296 177.584 0.005 0.000 1.053 24 A CA 1.086 53.134 52.037 0.018 0.000 0.755 24 A CB 0.099 19.116 19.000 0.029 0.000 0.978 24 A HN 0.330 8.492 8.150 0.020 0.000 0.507 25 N N -2.867 115.834 118.700 0.000 0.000 2.693 25 N HA -0.377 4.350 4.740 -0.021 0.000 0.249 25 N C 0.482 175.969 175.510 -0.039 0.000 1.119 25 N CA 1.711 54.752 53.050 -0.015 0.000 0.717 25 N CB -1.069 37.420 38.487 0.004 0.000 1.071 25 N HN 0.566 8.955 8.380 0.014 0.000 0.555 26 T N -3.664 110.859 114.554 -0.053 0.000 3.088 26 T HA -0.007 4.330 4.350 -0.023 0.000 0.259 26 T C 0.057 174.695 174.700 -0.102 0.000 1.122 26 T CA 2.138 64.211 62.100 -0.046 0.000 1.095 26 T CB 0.450 69.306 68.868 -0.019 0.000 0.930 26 T HN -0.455 7.719 8.240 -0.055 0.033 0.508 27 V N 2.434 122.227 119.914 -0.202 0.000 2.271 27 V HA 0.390 4.240 4.120 -0.450 0.000 0.259 27 V C -1.461 174.322 176.094 -0.518 0.000 1.030 27 V CA -3.441 58.588 62.300 -0.453 0.000 0.957 27 V CB 0.350 31.893 31.823 -0.466 0.000 1.186 27 V HN -0.494 7.533 8.190 -0.170 0.061 0.471 28 P HA 0.023 4.489 4.420 -0.098 -0.105 0.225 28 P C 0.244 177.485 177.300 -0.098 0.000 1.148 28 P CA 1.674 64.690 63.100 -0.141 0.000 0.779 28 P CB 0.087 31.779 31.700 -0.012 0.000 0.780 29 Y N -6.161 114.163 120.300 0.040 0.000 2.482 29 Y HA 0.453 5.174 4.550 0.056 -0.138 0.270 29 Y C -0.360 175.576 175.900 0.060 0.000 1.152 29 Y CA -2.900 55.230 58.100 0.050 0.000 1.292 29 Y CB -1.136 37.349 38.460 0.042 0.000 1.070 29 Y HN -0.444 7.218 8.280 -0.945 0.052 0.528 30 Q N 2.821 122.506 119.800 -0.191 0.000 2.313 30 Q HA 0.086 4.621 4.340 0.113 -0.127 0.266 30 Q C -0.276 175.811 176.000 0.146 0.000 0.989 30 Q CA 0.391 56.189 55.803 -0.009 0.000 0.890 30 Q CB 0.846 29.473 28.738 -0.185 0.000 1.200 30 Q HN -0.676 7.230 8.270 -0.523 0.050 0.396 31 V N 1.136 121.172 119.914 0.204 0.000 3.074 31 V HA 0.796 5.142 4.120 0.197 -0.107 0.314 31 V C -1.937 174.304 176.094 0.246 0.000 1.117 31 V CA -2.849 59.565 62.300 0.190 0.000 1.014 31 V CB 3.844 35.728 31.823 0.102 0.000 1.057 31 V HN 0.095 8.402 8.190 0.194 0.000 0.438 32 S N 0.204 115.951 115.700 0.078 0.000 2.472 32 S HA 0.477 5.174 4.470 0.196 -0.109 0.303 32 S C -1.074 173.414 174.600 -0.187 0.000 1.099 32 S CA -2.023 56.160 58.200 -0.030 0.000 1.077 32 S CB 1.956 64.900 63.200 -0.427 0.000 1.031 32 S HN 0.050 8.365 8.310 0.009 0.000 0.487 33 L N 6.594 127.581 121.223 -0.392 0.000 2.282 33 L HA 0.520 4.767 4.340 -0.354 -0.120 0.288 33 L C -1.595 174.853 176.870 -0.704 0.000 1.033 33 L CA -0.838 53.640 54.840 -0.603 0.000 0.807 33 L CB 0.926 42.403 42.059 -0.970 0.000 1.209 33 L HN 0.741 8.707 8.230 -0.440 0.000 0.423 38 G N -0.061 108.646 108.800 -0.154 0.000 2.176 38 G HA2 -0.284 3.664 3.960 -0.019 0.000 0.232 38 G HA3 -0.284 3.737 3.960 0.102 0.000 0.232 38 G C -1.550 173.443 174.900 0.154 0.000 0.986 38 G CA 0.353 45.466 45.100 0.021 0.000 0.643 38 G HN 0.278 8.742 8.290 -0.186 -0.286 0.522 39 Y N -7.558 112.713 120.300 -0.048 0.000 2.687 39 Y HA 0.192 4.704 4.550 -0.063 0.000 0.338 39 Y C -2.499 173.395 175.900 -0.011 0.000 1.189 39 Y CA -3.629 54.445 58.100 -0.043 0.000 1.097 39 Y CB 0.751 39.184 38.460 -0.045 0.000 1.342 39 Y HN -1.253 6.844 8.280 -0.340 -0.022 0.461 40 H N 2.485 121.513 119.070 -0.068 0.000 2.767 40 H HA -0.007 4.519 4.556 -0.317 -0.160 0.316 40 H C -0.474 174.833 175.328 -0.036 0.000 1.059 40 H CA 0.262 56.195 56.048 -0.191 0.000 1.461 40 H CB 0.269 29.891 29.762 -0.233 0.000 1.475 40 H HN 0.375 8.752 8.280 0.163 0.000 0.531 41 F N 2.331 121.822 119.950 -0.765 0.000 2.747 41 F HA 0.406 4.802 4.527 -0.218 0.000 0.305 41 F C -1.616 173.911 175.800 -0.455 0.000 1.065 41 F CA -0.384 57.349 58.000 -0.445 0.000 1.230 41 F CB 1.804 40.606 39.000 -0.331 0.000 1.027 41 F HN -0.129 7.522 8.300 -1.081 0.000 0.607 42 c N -1.731 116.192 118.600 -1.129 0.000 3.318 42 c HA 0.364 4.798 4.570 -0.226 0.000 0.322 42 c C -1.612 172.285 174.090 -0.322 0.000 1.398 42 c CA -0.311 55.696 56.329 -0.536 0.000 1.339 42 c CB 4.109 46.363 42.510 -0.426 0.000 1.668 42 c HN -0.824 6.435 8.230 -1.619 0.000 0.462 43 G N -1.071 107.720 108.800 -0.014 0.000 2.601 43 G HA2 0.797 5.051 3.960 0.243 0.000 0.317 43 G HA3 0.797 4.884 3.960 0.213 0.000 0.317 43 G C -2.497 172.425 174.900 0.037 0.000 1.246 43 G CA -1.602 43.584 45.100 0.143 0.000 1.012 43 G HN 0.679 8.964 8.290 -0.008 0.000 0.494 44 G N -3.877 104.977 108.800 0.090 0.000 2.550 44 G HA2 0.576 4.848 3.960 0.062 0.000 0.293 44 G HA3 0.576 4.563 3.960 0.045 0.000 0.293 44 G C -2.878 172.103 174.900 0.134 0.000 1.402 44 G CA 0.220 45.365 45.100 0.075 0.000 0.784 44 G HN -0.606 7.773 8.290 0.149 0.000 0.482 45 S N -0.421 115.362 115.700 0.139 0.000 2.557 45 S HA 0.725 5.540 4.470 0.258 -0.191 0.291 45 S C -1.246 173.454 174.600 0.166 0.000 1.116 45 S CA -0.801 57.513 58.200 0.190 0.000 0.992 45 S CB 3.661 66.954 63.200 0.154 0.000 1.028 45 S HN 0.412 8.791 8.310 0.115 0.000 0.484 46 L N 6.655 127.992 121.223 0.191 0.000 2.361 46 L HA 0.119 4.660 4.340 0.146 -0.113 0.278 46 L C -0.690 176.265 176.870 0.142 0.000 1.113 46 L CA -0.013 54.922 54.840 0.159 0.000 0.849 46 L CB 0.867 43.018 42.059 0.154 0.000 1.155 46 L HN 0.423 8.802 8.230 0.248 0.000 0.452 47 I N 0.188 120.839 120.570 0.136 0.000 4.070 47 I HA 0.471 4.832 4.170 0.072 -0.148 0.328 47 I C -0.863 175.316 176.117 0.103 0.000 1.298 47 I CA -0.474 60.885 61.300 0.098 0.000 1.173 47 I CB 0.819 38.867 38.000 0.080 0.000 1.051 47 I HN 0.214 8.522 8.210 0.164 0.000 0.409 48 N N -2.387 116.397 118.700 0.141 0.000 3.179 48 N HA 0.178 4.977 4.740 0.098 0.000 0.250 48 N C -0.645 174.945 175.510 0.133 0.000 1.507 48 N CA -0.613 52.516 53.050 0.131 0.000 0.883 48 N CB 0.828 39.405 38.487 0.151 0.000 1.435 48 N HN -0.931 7.549 8.380 0.166 0.000 0.532 49 S N -3.783 111.983 115.700 0.109 0.000 2.555 49 S HA -0.269 4.243 4.470 0.071 0.000 0.230 49 S C 0.723 175.355 174.600 0.053 0.000 0.978 49 S CA 2.531 60.776 58.200 0.076 0.000 0.934 49 S CB -0.150 63.083 63.200 0.055 0.000 0.766 49 S HN 0.375 8.747 8.310 0.103 0.000 0.533 50 Q N -0.451 119.395 119.800 0.075 0.000 2.140 50 Q HA 0.345 4.619 4.340 -0.110 0.000 0.227 50 Q C -2.159 173.689 176.000 -0.252 0.000 0.798 50 Q CA -0.372 55.374 55.803 -0.094 0.000 0.987 50 Q CB 2.845 31.509 28.738 -0.123 0.000 1.161 50 Q HN 0.135 8.806 8.270 0.175 -0.296 0.480 51 W N -1.979 119.328 121.300 0.011 0.000 2.915 51 W HA 0.675 5.539 4.660 0.007 -0.200 0.337 51 W C -1.509 175.023 176.519 0.022 0.000 1.102 51 W CA -1.050 56.300 57.345 0.009 0.000 1.224 51 W CB 3.784 33.241 29.460 -0.005 0.000 1.416 51 W HN -0.337 8.116 8.180 0.257 -0.119 0.503 52 V N 1.253 121.322 119.914 0.258 0.000 2.769 52 V HA 0.733 5.121 4.120 0.168 -0.167 0.312 52 V C -1.486 174.719 176.094 0.185 0.000 1.061 52 V CA -1.788 60.616 62.300 0.174 0.000 0.931 52 V CB 3.829 35.711 31.823 0.099 0.000 1.010 52 V HN 0.710 9.061 8.190 0.269 0.000 0.433 53 V N 5.458 125.459 119.914 0.144 0.000 2.555 53 V HA 0.751 5.130 4.120 0.152 -0.168 0.302 53 V C -1.276 174.871 176.094 0.089 0.000 1.038 53 V CA -1.313 61.064 62.300 0.128 0.000 0.887 53 V CB 2.402 34.294 31.823 0.115 0.000 0.991 53 V HN 0.464 8.734 8.190 0.132 0.000 0.434 54 S N 4.050 119.788 115.700 0.063 0.000 2.880 54 S HA 0.534 5.224 4.470 0.021 -0.207 0.308 54 S C -2.062 172.521 174.600 -0.029 0.000 1.195 54 S CA -2.456 55.752 58.200 0.013 0.000 0.866 54 S CB 2.420 65.614 63.200 -0.011 0.000 1.254 54 S HN 0.609 8.966 8.310 0.078 0.000 0.571 55 A N -0.426 122.333 122.820 -0.101 0.000 2.306 55 A HA 0.457 4.863 4.320 -0.125 -0.161 0.314 55 A C 0.571 178.020 177.584 -0.225 0.000 1.164 55 A CA -1.536 50.398 52.037 -0.173 0.000 0.822 55 A CB 1.465 20.295 19.000 -0.284 0.000 1.130 55 A HN 0.287 8.366 8.150 -0.119 0.000 0.496 56 A N 5.285 127.915 122.820 -0.317 0.000 1.978 56 A HA -0.266 3.901 4.320 -0.256 0.000 0.220 56 A C 1.301 178.633 177.584 -0.420 0.000 1.170 56 A CA 2.858 54.590 52.037 -0.509 0.000 0.636 56 A CB -0.413 17.850 19.000 -1.228 0.000 0.810 56 A HN 0.612 8.592 8.150 -0.302 -0.012 0.448 57 H N -5.282 113.619 119.070 -0.282 0.000 2.563 57 H HA -0.051 4.545 4.556 0.066 0.000 0.272 57 H C 0.018 175.395 175.328 0.082 0.000 1.005 57 H CA 1.131 57.182 56.048 0.005 0.000 1.171 57 H CB -1.266 28.564 29.762 0.115 0.000 1.351 57 H HN -0.144 8.289 8.280 -0.219 -0.284 0.602 58 c N -1.071 117.456 118.600 -0.123 0.000 2.791 58 c HA 0.054 4.704 4.570 0.135 0.000 0.270 58 c C 0.019 174.200 174.090 0.152 0.000 1.257 58 c CA -0.326 56.030 56.329 0.045 0.000 1.699 58 c CB -1.733 40.754 42.510 -0.038 0.000 1.904 58 c HN -0.187 7.724 8.230 -0.208 0.195 0.603 59 Y N 3.490 123.796 120.300 0.009 0.000 2.597 59 Y HA -0.239 4.333 4.550 0.037 0.000 0.336 59 Y C -0.735 175.151 175.900 -0.025 0.000 1.216 59 Y CA 2.123 60.230 58.100 0.012 0.000 1.463 59 Y CB 0.694 39.149 38.460 -0.008 0.000 1.303 59 Y HN -0.428 7.777 8.280 0.165 0.173 0.576 60 K N 5.308 124.964 120.400 -1.241 0.000 2.772 60 K HA 0.162 4.094 4.320 -0.646 0.000 0.292 60 K C -2.538 173.557 176.600 -0.842 0.000 1.049 60 K CA -1.013 54.766 56.287 -0.847 0.000 0.846 60 K CB 2.024 34.188 32.500 -0.559 0.000 1.514 60 K HN -0.079 7.205 8.250 -1.610 0.000 0.373 61 S N -0.374 115.054 115.700 -0.453 0.000 2.713 61 S HA 0.123 4.421 4.470 -0.286 0.000 0.283 61 S C 0.784 175.256 174.600 -0.213 0.000 1.161 61 S CA -0.343 57.697 58.200 -0.267 0.000 0.999 61 S CB 1.336 64.469 63.200 -0.112 0.000 1.039 61 S HN -0.154 7.958 8.310 -0.329 0.000 0.548 62 G N -0.048 108.667 108.800 -0.142 0.000 2.289 62 G HA2 -0.249 3.657 3.960 -0.090 0.000 0.280 62 G HA3 -0.249 3.636 3.960 -0.124 0.000 0.280 62 G C -1.698 173.128 174.900 -0.124 0.000 1.089 62 G CA 0.204 45.232 45.100 -0.120 0.000 0.939 62 G HN 0.313 8.536 8.290 -0.113 0.000 0.499 63 I N -1.214 119.296 120.570 -0.100 0.000 2.359 63 I HA 0.157 4.442 4.170 -0.008 -0.120 0.294 63 I C -1.682 174.395 176.117 -0.067 0.000 0.987 63 I CA -1.013 60.259 61.300 -0.046 0.000 1.225 63 I CB 1.205 39.200 38.000 -0.007 0.000 1.366 63 I HN -0.535 7.613 8.210 -0.102 0.000 0.466 64 Q N 6.968 126.715 119.800 -0.089 0.000 3.184 64 Q HA 0.520 4.810 4.340 -0.083 0.000 0.236 64 Q C -1.666 174.249 176.000 -0.142 0.000 1.038 64 Q CA -1.893 53.840 55.803 -0.116 0.000 0.857 64 Q CB 4.268 32.904 28.738 -0.171 0.000 1.957 64 Q HN 0.646 8.865 8.270 -0.084 0.000 0.453 65 R N -2.426 118.023 120.500 -0.086 0.000 3.008 65 R HA 0.390 4.986 4.340 0.167 -0.156 0.284 65 R C -1.404 174.941 176.300 0.075 0.000 1.187 65 R CA 0.029 56.128 56.100 -0.002 0.000 1.139 65 R CB 2.330 32.495 30.300 -0.225 0.000 1.273 65 R HN 0.586 8.784 8.270 -0.119 0.000 0.410 70 E N -0.805 119.493 120.200 0.164 0.000 2.319 70 E HA 0.107 4.539 4.350 0.136 0.000 0.268 70 E C -1.624 175.165 176.600 0.314 0.000 1.050 70 E CA 0.493 57.007 56.400 0.189 0.000 0.878 70 E CB 1.484 31.227 29.700 0.072 0.000 1.066 70 E HN -0.578 7.857 8.360 0.184 0.036 0.406 71 D N 1.143 121.706 120.400 0.271 0.000 2.900 71 D HA 0.058 4.931 4.640 0.387 0.000 0.175 71 D C -1.165 175.333 176.300 0.331 0.000 1.476 71 D CA 1.407 55.586 54.000 0.299 0.000 1.488 71 D CB 2.466 43.351 40.800 0.142 0.000 1.426 71 D HN 0.174 8.649 8.370 0.176 0.000 0.295 72 N N 0.876 119.677 118.700 0.169 0.000 2.437 72 N HA 0.291 5.271 4.740 0.167 -0.140 0.243 72 N C 1.922 177.439 175.510 0.012 0.000 1.041 72 N CA -1.157 51.961 53.050 0.114 0.000 0.940 72 N CB 0.559 39.091 38.487 0.074 0.000 1.133 72 N HN -0.637 7.819 8.380 0.126 0.000 0.506 73 I N 0.363 120.856 120.570 -0.128 0.000 3.176 73 I HA -0.119 4.046 4.170 -0.261 -0.152 0.275 73 I C -0.341 175.695 176.117 -0.134 0.000 1.298 73 I CA 1.509 62.637 61.300 -0.286 0.000 1.445 73 I CB -0.673 36.926 38.000 -0.669 0.000 1.075 73 I HN 0.298 8.443 8.210 -0.108 0.000 0.482 74 N N -2.148 116.519 118.700 -0.054 0.000 2.236 74 N HA 0.134 4.858 4.740 -0.027 0.000 0.196 74 N C -0.835 174.682 175.510 0.012 0.000 1.114 74 N CA 0.046 53.086 53.050 -0.017 0.000 0.859 74 N CB 1.876 40.363 38.487 -0.000 0.000 0.982 74 N HN -0.179 8.462 8.380 -0.032 -0.281 0.493 75 V N 0.216 120.144 119.914 0.022 0.000 2.638 75 V HA 0.044 4.184 4.120 0.032 0.000 0.306 75 V C -1.423 174.697 176.094 0.043 0.000 1.052 75 V CA -1.110 61.210 62.300 0.033 0.000 0.885 75 V CB 3.114 34.954 31.823 0.029 0.000 0.999 75 V HN -0.842 7.380 8.190 0.015 -0.024 0.424 76 V N 7.116 127.053 119.914 0.038 0.000 2.461 76 V HA -0.185 4.135 4.120 0.035 -0.179 0.275 76 V C -0.013 176.082 176.094 0.002 0.000 1.047 76 V CA 0.700 63.010 62.300 0.017 0.000 0.955 76 V CB 0.231 32.044 31.823 -0.017 0.000 0.988 76 V HN 0.237 8.446 8.190 0.033 0.000 0.471 77 E N 7.414 127.615 120.200 0.000 0.000 2.601 77 E HA 0.172 4.523 4.350 0.001 0.000 0.219 77 E C -0.476 176.118 176.600 -0.010 0.000 0.964 77 E CA -0.594 55.807 56.400 0.002 0.000 1.050 77 E CB 1.115 30.826 29.700 0.018 0.000 1.068 77 E HN 0.444 9.326 8.360 0.001 -0.521 0.496 78 G N 0.360 109.144 108.800 -0.027 0.000 2.576 78 G HA2 -0.224 3.702 3.960 -0.057 0.000 0.686 78 G HA3 -0.224 3.721 3.960 -0.025 0.000 0.686 78 G C -1.698 173.186 174.900 -0.028 0.000 1.242 78 G CA -0.634 44.444 45.100 -0.036 0.000 0.819 78 G HN -0.381 8.281 8.290 -0.038 -0.394 0.655 79 N N -3.670 115.008 118.700 -0.037 0.000 2.980 79 N HA -0.288 4.438 4.740 -0.023 0.000 0.213 79 N C -1.027 174.468 175.510 -0.026 0.000 0.892 79 N CA 1.310 54.347 53.050 -0.021 0.000 1.025 79 N CB -0.252 38.237 38.487 0.003 0.000 1.030 79 N HN 0.166 8.516 8.380 -0.050 0.000 0.585 80 E N -1.089 119.073 120.200 -0.062 0.000 2.366 80 E HA 0.164 4.754 4.350 0.026 -0.225 0.266 80 E C -0.146 176.364 176.600 -0.151 0.000 1.051 80 E CA 0.511 56.868 56.400 -0.072 0.000 0.884 80 E CB 0.501 30.109 29.700 -0.152 0.000 1.006 80 E HN -0.224 7.996 8.360 -0.081 0.091 0.417 81 Q N 1.865 121.644 119.800 -0.034 0.000 2.292 81 Q HA 0.275 4.536 4.340 -0.132 0.000 0.270 81 Q C -1.464 174.646 176.000 0.184 0.000 1.024 81 Q CA -1.182 54.606 55.803 -0.025 0.000 0.768 81 Q CB 2.902 31.651 28.738 0.018 0.000 1.250 81 Q HN 0.294 8.618 8.270 0.089 0.000 0.447 82 F N 4.176 124.107 119.950 -0.031 0.000 2.411 82 F HA 0.435 5.107 4.527 -0.046 -0.173 0.352 82 F C -0.144 175.633 175.800 -0.039 0.000 1.123 82 F CA -3.340 54.635 58.000 -0.041 0.000 1.044 82 F CB 1.100 40.074 39.000 -0.043 0.000 1.135 82 F HN 0.409 8.702 8.300 -0.012 0.000 0.461 83 I N 3.875 124.526 120.570 0.135 0.000 2.582 83 I HA 0.235 4.435 4.170 0.050 0.000 0.292 83 I C -1.768 174.350 176.117 0.003 0.000 1.066 83 I CA -1.349 59.979 61.300 0.048 0.000 1.053 83 I CB 3.479 41.490 38.000 0.019 0.000 1.241 83 I HN 0.682 8.957 8.210 0.108 0.000 0.421 84 S N 4.819 120.511 115.700 -0.014 0.000 2.601 84 S HA 0.113 4.556 4.470 -0.046 0.000 0.271 84 S C -0.330 174.235 174.600 -0.059 0.000 1.305 84 S CA 0.792 58.969 58.200 -0.039 0.000 1.022 84 S CB 1.306 64.486 63.200 -0.035 0.000 0.940 84 S HN 0.326 8.632 8.310 -0.007 0.000 0.525 85 A N 3.230 126.011 122.820 -0.065 0.000 2.401 85 A HA 0.152 4.518 4.320 -0.102 -0.107 0.259 85 A C -0.424 177.111 177.584 -0.082 0.000 1.103 85 A CA -0.238 51.750 52.037 -0.081 0.000 0.789 85 A CB 0.536 19.498 19.000 -0.063 0.000 1.035 85 A HN -0.142 7.970 8.150 -0.062 0.000 0.491 86 S N 4.113 119.745 115.700 -0.114 0.000 2.387 86 S HA 0.003 4.430 4.470 -0.072 0.000 0.221 86 S C 0.509 175.068 174.600 -0.068 0.000 1.041 86 S CA 1.308 59.449 58.200 -0.098 0.000 0.959 86 S CB 0.827 63.943 63.200 -0.140 0.000 0.843 86 S HN 0.749 8.854 8.310 -0.160 0.109 0.488 87 K N -0.382 119.969 120.400 -0.081 0.000 2.556 87 K HA 0.338 4.675 4.320 0.029 0.000 0.274 87 K C -2.426 174.196 176.600 0.035 0.000 0.966 87 K CA -1.128 55.157 56.287 -0.003 0.000 0.865 87 K CB 3.078 35.590 32.500 0.020 0.000 1.444 87 K HN -0.809 7.355 8.250 -0.143 0.000 0.433 88 S N 0.674 116.453 115.700 0.132 0.000 2.532 88 S HA 0.713 5.458 4.470 0.170 -0.174 0.299 88 S C -0.989 173.745 174.600 0.222 0.000 1.105 88 S CA -0.492 57.831 58.200 0.204 0.000 1.018 88 S CB 2.559 65.945 63.200 0.311 0.000 1.021 88 S HN 0.145 8.548 8.310 0.155 0.000 0.483 89 I N 7.500 128.208 120.570 0.230 0.000 2.390 89 I HA 0.117 4.382 4.170 0.160 0.000 0.283 89 I C -1.561 174.701 176.117 0.242 0.000 1.016 89 I CA -0.809 60.619 61.300 0.214 0.000 1.151 89 I CB 1.498 39.630 38.000 0.220 0.000 1.293 89 I HN 1.070 9.322 8.210 0.254 0.110 0.458 90 V N 7.702 127.698 119.914 0.136 0.000 2.732 90 V HA -0.138 4.039 4.120 0.095 0.000 0.297 90 V C -0.312 175.877 176.094 0.157 0.000 1.060 90 V CA -0.740 61.610 62.300 0.084 0.000 1.038 90 V CB 1.013 32.794 31.823 -0.071 0.000 1.003 90 V HN 0.341 8.568 8.190 0.062 0.000 0.481 91 H N 8.051 127.117 119.070 -0.007 0.000 3.034 91 H HA -0.031 4.385 4.556 -0.233 0.000 0.324 91 H C -0.304 175.006 175.328 -0.030 0.000 1.015 91 H CA 0.125 56.048 56.048 -0.208 0.000 1.429 91 H CB 1.600 31.071 29.762 -0.486 0.000 1.429 91 H HN -0.210 8.117 8.280 0.079 0.000 0.585 92 P HA -0.109 4.317 4.420 0.010 0.000 0.219 92 P C -0.397 176.941 177.300 0.063 0.000 1.146 92 P CA 1.480 64.545 63.100 -0.057 0.000 0.808 92 P CB 0.329 31.974 31.700 -0.090 0.000 0.779 93 S N -3.779 112.064 115.700 0.238 0.000 2.582 93 S HA 0.034 4.565 4.470 0.102 0.000 0.234 93 S C -0.549 174.161 174.600 0.183 0.000 0.961 93 S CA 0.013 58.341 58.200 0.214 0.000 0.953 93 S CB 0.431 63.758 63.200 0.211 0.000 0.800 93 S HN -0.393 8.136 8.310 0.417 0.031 0.471 94 Y N 3.707 124.062 120.300 0.091 0.000 2.620 94 Y HA -0.300 4.429 4.550 -0.029 -0.197 0.330 94 Y C -0.948 174.949 175.900 -0.005 0.000 1.186 94 Y CA 0.730 58.837 58.100 0.010 0.000 1.467 94 Y CB 0.831 39.299 38.460 0.014 0.000 1.262 94 Y HN -0.763 7.638 8.280 0.336 0.081 0.550 95 N N 7.331 125.679 118.700 -0.587 0.000 2.479 95 N HA 0.214 4.678 4.740 -0.460 0.000 0.261 95 N C -0.252 174.761 175.510 -0.828 0.000 0.979 95 N CA -1.271 51.449 53.050 -0.550 0.000 0.930 95 N CB 1.906 40.237 38.487 -0.261 0.000 1.172 95 N HN -0.249 7.907 8.380 -0.374 0.000 0.499 96 S N 6.685 121.895 115.700 -0.817 0.000 2.515 96 S HA -0.064 4.066 4.470 -0.566 0.000 0.231 96 S C 0.692 175.124 174.600 -0.280 0.000 0.987 96 S CA 2.242 60.130 58.200 -0.520 0.000 0.936 96 S CB -0.220 62.827 63.200 -0.256 0.000 0.766 96 S HN 0.618 8.535 8.310 -0.655 0.000 0.528 97 N N 1.849 120.389 118.700 -0.267 0.000 2.402 97 N HA 0.044 4.669 4.740 -0.192 0.000 0.174 97 N C 0.925 176.287 175.510 -0.246 0.000 1.027 97 N CA 2.230 55.154 53.050 -0.211 0.000 0.891 97 N CB 0.865 39.253 38.487 -0.164 0.000 1.016 97 N HN 0.257 8.701 8.380 -0.296 -0.241 0.439 98 T N -3.715 110.690 114.554 -0.248 0.000 2.990 98 T HA 0.080 4.246 4.350 -0.307 0.000 0.250 98 T C 0.133 174.667 174.700 -0.277 0.000 1.041 98 T CA -0.078 61.869 62.100 -0.255 0.000 1.010 98 T CB 1.670 70.440 68.868 -0.163 0.000 1.003 98 T HN -0.439 7.900 8.240 -0.249 -0.248 0.499 99 L N -3.557 117.542 121.223 -0.207 0.000 4.351 99 L HA -0.499 3.988 4.340 0.109 -0.082 0.410 99 L C -1.881 175.039 176.870 0.083 0.000 1.150 99 L CA 0.347 55.175 54.840 -0.020 0.000 0.961 99 L CB -2.589 39.408 42.059 -0.103 0.000 2.130 99 L HN -0.167 7.915 8.230 -0.247 0.000 0.787 100 N N -0.932 117.774 118.700 0.010 0.000 2.518 100 N HA -0.172 4.624 4.740 0.093 0.000 0.266 100 N C 0.131 175.697 175.510 0.093 0.000 1.196 100 N CA 0.783 53.866 53.050 0.054 0.000 0.947 100 N CB 1.137 39.626 38.487 0.004 0.000 1.098 100 N HN -0.674 7.615 8.380 -0.080 0.043 0.450 101 N N -1.099 117.643 118.700 0.071 0.000 2.758 101 N HA -0.467 4.195 4.740 -0.131 0.000 0.248 101 N C -1.348 174.131 175.510 -0.051 0.000 1.076 101 N CA 1.384 54.375 53.050 -0.098 0.000 0.696 101 N CB -1.550 36.781 38.487 -0.260 0.000 0.979 101 N HN 0.621 9.065 8.380 0.106 0.000 0.550 102 D N -0.998 119.415 120.400 0.021 0.000 2.608 102 D HA 0.041 4.638 4.640 -0.071 0.000 0.224 102 D C -1.715 174.481 176.300 -0.173 0.000 1.123 102 D CA -0.367 53.630 54.000 -0.006 0.000 1.030 102 D CB -0.831 40.070 40.800 0.168 0.000 1.093 102 D HN -0.117 8.284 8.370 0.053 0.000 0.497 103 I N 1.646 122.051 120.570 -0.275 0.000 2.802 103 I HA 0.590 4.838 4.170 -0.147 -0.166 0.298 103 I C -3.057 173.012 176.117 -0.081 0.000 1.176 103 I CA -1.501 59.667 61.300 -0.221 0.000 1.025 103 I CB 4.176 41.907 38.000 -0.447 0.000 1.243 103 I HN -0.122 7.869 8.210 -0.288 0.047 0.424 104 M N 6.493 126.117 119.600 0.040 0.000 2.421 104 M HA 0.713 5.505 4.480 0.236 -0.170 0.287 104 M C -2.755 173.671 176.300 0.209 0.000 1.183 104 M CA -1.067 54.322 55.300 0.150 0.000 0.916 104 M CB 4.826 37.470 32.600 0.074 0.000 1.701 104 M HN 0.484 8.791 8.290 0.028 0.000 0.470 105 L N 3.245 124.631 121.223 0.271 0.000 2.334 105 L HA 0.813 5.473 4.340 0.260 -0.164 0.276 105 L C -1.261 175.797 176.870 0.314 0.000 1.014 105 L CA -1.466 53.550 54.840 0.293 0.000 0.815 105 L CB 3.041 45.253 42.059 0.254 0.000 1.268 105 L HN 0.509 8.923 8.230 0.307 0.000 0.428 106 I N 1.024 121.759 120.570 0.275 0.000 2.436 106 I HA 0.551 4.946 4.170 0.087 -0.173 0.289 106 I C -1.536 174.512 176.117 -0.116 0.000 1.010 106 I CA -1.377 59.979 61.300 0.092 0.000 1.098 106 I CB 2.826 40.853 38.000 0.045 0.000 1.266 106 I HN 0.747 9.142 8.210 0.308 0.000 0.434 107 K N 6.701 126.832 120.400 -0.448 0.000 2.156 107 K HA 0.631 4.236 4.320 -1.458 -0.159 0.271 107 K C -1.113 175.190 176.600 -0.497 0.000 0.995 107 K CA -1.768 53.898 56.287 -1.035 0.000 0.890 107 K CB 2.918 34.658 32.500 -1.266 0.000 1.073 107 K HN 0.596 8.677 8.250 -0.282 0.000 0.454 108 L N 4.171 125.136 121.223 -0.430 0.000 2.375 108 L HA 0.208 4.444 4.340 -0.172 0.000 0.271 108 L C 1.692 178.445 176.870 -0.196 0.000 1.107 108 L CA -0.199 54.508 54.840 -0.223 0.000 0.806 108 L CB 0.498 42.470 42.059 -0.146 0.000 1.146 108 L HN 0.765 8.553 8.230 -0.557 0.108 0.447 109 K N 3.123 123.447 120.400 -0.126 0.000 2.103 109 K HA -0.337 3.918 4.320 -0.109 0.000 0.207 109 K C -0.633 175.918 176.600 -0.082 0.000 1.048 109 K CA 2.572 58.801 56.287 -0.096 0.000 0.930 109 K CB 0.367 32.830 32.500 -0.062 0.000 0.716 109 K HN 0.578 8.766 8.250 -0.103 0.000 0.444 110 S N -3.373 112.286 115.700 -0.070 0.000 2.627 110 S HA 0.087 4.525 4.470 -0.053 0.000 0.283 110 S C -1.938 172.632 174.600 -0.050 0.000 1.127 110 S CA -0.963 57.207 58.200 -0.050 0.000 0.863 110 S CB 2.791 65.973 63.200 -0.030 0.000 1.121 110 S HN -0.460 7.810 8.310 -0.067 0.000 0.479 111 A N -0.049 122.752 122.820 -0.033 0.000 2.407 111 A HA 0.001 4.469 4.320 -0.030 -0.166 0.248 111 A C -0.330 177.251 177.584 -0.005 0.000 1.082 111 A CA 0.181 52.207 52.037 -0.018 0.000 0.785 111 A CB 0.672 19.671 19.000 -0.001 0.000 1.020 111 A HN 0.110 8.244 8.150 -0.027 0.000 0.489 112 A N 1.313 124.137 122.820 0.007 0.000 2.304 112 A HA 0.165 4.556 4.320 0.011 -0.065 0.271 112 A C -0.526 177.069 177.584 0.018 0.000 1.091 112 A CA -1.160 50.886 52.037 0.016 0.000 0.812 112 A CB 1.330 20.348 19.000 0.030 0.000 1.056 112 A HN 0.354 8.401 8.150 0.010 0.110 0.489 113 S N -0.203 115.506 115.700 0.015 0.000 2.438 113 S HA 0.110 4.588 4.470 0.015 0.000 0.293 113 S C -0.570 174.043 174.600 0.022 0.000 1.141 113 S CA -0.780 57.428 58.200 0.014 0.000 1.080 113 S CB 0.511 63.714 63.200 0.005 0.000 0.978 113 S HN 0.065 8.752 8.310 0.012 -0.369 0.479 114 L N 5.901 127.140 121.223 0.027 0.000 2.375 114 L HA 0.252 4.754 4.340 0.039 -0.140 0.271 114 L C -0.366 176.521 176.870 0.028 0.000 1.107 114 L CA -0.161 54.700 54.840 0.035 0.000 0.806 114 L CB 0.702 42.786 42.059 0.042 0.000 1.146 114 L HN 0.223 8.468 8.230 0.026 0.000 0.447 115 N N 2.305 121.023 118.700 0.030 0.000 3.575 115 N HA 0.140 4.893 4.740 0.022 0.000 0.343 115 N C -1.430 174.097 175.510 0.028 0.000 1.574 115 N CA -0.522 52.543 53.050 0.024 0.000 0.832 115 N CB 0.627 39.124 38.487 0.016 0.000 2.151 115 N HN 0.406 8.698 8.380 0.036 0.110 0.552 116 S N -3.061 112.653 115.700 0.023 0.000 2.496 116 S HA -0.109 4.380 4.470 0.032 0.000 0.224 116 S C 0.617 175.231 174.600 0.023 0.000 0.996 116 S CA 1.912 60.127 58.200 0.025 0.000 0.927 116 S CB 0.197 63.409 63.200 0.020 0.000 0.774 116 S HN 0.050 8.371 8.310 0.018 0.000 0.524 117 R N -0.863 119.649 120.500 0.020 0.000 2.223 117 R HA 0.081 4.426 4.340 0.009 0.000 0.198 117 R C -1.432 174.881 176.300 0.022 0.000 0.984 117 R CA 0.963 57.072 56.100 0.016 0.000 1.018 117 R CB 1.490 31.799 30.300 0.015 0.000 0.945 117 R HN -0.079 8.485 8.270 0.019 -0.282 0.479 118 V N -1.242 118.691 119.914 0.033 0.000 2.419 118 V HA 0.266 4.603 4.120 0.048 -0.189 0.287 118 V C -2.166 173.963 176.094 0.060 0.000 1.017 118 V CA -1.163 61.165 62.300 0.047 0.000 0.844 118 V CB 2.214 34.063 31.823 0.043 0.000 1.011 118 V HN -0.614 7.774 8.190 0.031 -0.179 0.429 119 A N 6.716 129.586 122.820 0.084 0.000 2.539 119 A HA 0.497 4.866 4.320 0.082 0.000 0.296 119 A C -2.602 175.070 177.584 0.147 0.000 1.073 119 A CA -1.275 50.823 52.037 0.103 0.000 0.700 119 A CB 3.346 22.409 19.000 0.104 0.000 1.296 119 A HN 0.060 8.151 8.150 0.088 0.112 0.405 120 S N -1.186 114.588 115.700 0.124 0.000 2.672 120 S HA 0.572 5.285 4.470 0.161 -0.146 0.276 120 S C -0.526 174.135 174.600 0.102 0.000 1.207 120 S CA -1.186 57.090 58.200 0.126 0.000 1.002 120 S CB 1.545 64.799 63.200 0.090 0.000 0.998 120 S HN -0.012 8.356 8.310 0.097 0.000 0.542 121 I N 0.554 121.143 120.570 0.032 0.000 2.648 121 I HA 0.235 4.355 4.170 -0.084 0.000 0.304 121 I C -1.094 174.980 176.117 -0.071 0.000 1.009 121 I CA -1.572 59.657 61.300 -0.118 0.000 1.114 121 I CB 3.915 41.635 38.000 -0.468 0.000 1.293 121 I HN 0.084 8.323 8.210 0.049 0.000 0.449 122 S N 5.941 121.598 115.700 -0.073 0.000 2.601 122 S HA 0.238 4.697 4.470 -0.020 0.000 0.271 122 S C -0.601 173.975 174.600 -0.041 0.000 1.305 122 S CA -0.338 57.838 58.200 -0.039 0.000 1.022 122 S CB 0.820 64.002 63.200 -0.030 0.000 0.940 122 S HN 0.246 8.501 8.310 -0.093 0.000 0.525 123 L N 2.268 123.482 121.223 -0.016 0.000 2.439 123 L HA 0.158 4.499 4.340 0.001 0.000 0.261 123 L C -1.238 175.631 176.870 -0.002 0.000 1.153 123 L CA -1.957 52.883 54.840 0.000 0.000 0.808 123 L CB 0.125 42.194 42.059 0.016 0.000 1.126 123 L HN 0.188 8.412 8.230 -0.011 0.000 0.460 124 P HA 0.135 4.546 4.420 -0.015 0.000 0.278 124 P C -1.319 175.981 177.300 0.001 0.000 1.258 124 P CA -0.702 62.396 63.100 -0.004 0.000 0.811 124 P CB 0.634 32.331 31.700 -0.005 0.000 1.063 128 c N 0.455 119.030 118.600 -0.043 0.000 2.500 128 c HA 0.100 4.635 4.570 -0.058 0.000 0.367 128 c C -0.174 173.857 174.090 -0.099 0.000 1.283 128 c CA -0.611 55.679 56.329 -0.065 0.000 2.456 128 c CB 0.567 43.044 42.510 -0.056 0.000 2.457 128 c HN -0.038 8.169 8.230 -0.038 0.000 0.632 129 A N 0.454 123.177 122.820 -0.162 0.000 2.269 129 A HA 0.122 4.368 4.320 -0.123 0.000 0.319 129 A C -1.086 176.392 177.584 -0.178 0.000 1.110 129 A CA -0.506 51.428 52.037 -0.173 0.000 0.847 129 A CB 1.486 20.348 19.000 -0.229 0.000 1.161 129 A HN 0.210 8.234 8.150 -0.210 0.000 0.497 133 G N 1.000 109.756 108.800 -0.074 0.000 2.268 133 G HA2 -0.293 3.630 3.960 -0.060 0.000 0.240 133 G HA3 -0.293 3.636 3.960 -0.051 0.000 0.240 133 G C 0.186 175.045 174.900 -0.068 0.000 1.010 133 G CA 0.045 45.108 45.100 -0.062 0.000 0.618 133 G HN 0.751 8.890 8.290 -0.079 0.104 0.516 134 T N 4.499 119.000 114.554 -0.087 0.000 2.902 134 T HA -0.156 4.154 4.350 -0.066 0.000 0.301 134 T C -0.644 174.008 174.700 -0.080 0.000 1.012 134 T CA 2.282 64.331 62.100 -0.086 0.000 1.151 134 T CB 0.419 69.217 68.868 -0.118 0.000 0.946 134 T HN -0.482 7.600 8.240 -0.101 0.097 0.542 135 Q N 5.442 125.210 119.800 -0.053 0.000 2.267 135 Q HA 0.126 4.564 4.340 -0.042 -0.123 0.255 135 Q C -0.980 175.002 176.000 -0.031 0.000 0.923 135 Q CA 0.165 55.948 55.803 -0.032 0.000 0.925 135 Q CB 1.168 29.904 28.738 -0.003 0.000 1.195 135 Q HN 0.232 8.475 8.270 -0.044 0.000 0.417 136 c N 1.546 120.130 118.600 -0.027 0.000 2.971 136 c HA 0.549 5.215 4.570 -0.018 -0.107 0.310 136 c C -1.819 172.277 174.090 0.010 0.000 1.285 136 c CA -1.158 55.157 56.329 -0.023 0.000 1.593 136 c CB 4.293 46.769 42.510 -0.056 0.000 2.076 136 c HN 0.839 8.943 8.230 -0.027 0.109 0.472 137 L N 1.103 122.340 121.223 0.023 0.000 2.305 137 L HA 0.846 5.394 4.340 0.053 -0.176 0.284 137 L C -2.099 174.786 176.870 0.025 0.000 1.013 137 L CA -1.301 53.566 54.840 0.046 0.000 0.819 137 L CB 2.912 45.020 42.059 0.082 0.000 1.227 137 L HN 0.698 8.829 8.230 0.017 0.109 0.417 138 I N 7.728 128.298 120.570 0.001 0.000 2.441 138 I HA 0.844 5.253 4.170 0.014 -0.231 0.295 138 I C -1.283 174.806 176.117 -0.045 0.000 0.994 138 I CA -1.495 59.802 61.300 -0.005 0.000 1.144 138 I CB 2.379 40.379 38.000 -0.000 0.000 1.314 138 I HN 0.959 9.171 8.210 0.004 0.000 0.445 139 S N 2.424 118.091 115.700 -0.056 0.000 2.627 139 S HA 1.050 5.559 4.470 -0.218 -0.170 0.283 139 S C -1.072 173.416 174.600 -0.186 0.000 1.127 139 S CA -1.883 56.211 58.200 -0.178 0.000 0.863 139 S CB 3.777 66.835 63.200 -0.237 0.000 1.121 139 S HN -0.235 8.073 8.310 -0.003 0.000 0.479 140 G N -1.324 107.272 108.800 -0.340 0.000 2.321 140 G HA2 0.105 3.841 3.960 -0.374 0.000 0.298 140 G HA3 0.105 4.183 3.960 -0.040 -0.142 0.298 140 G C -2.181 172.523 174.900 -0.326 0.000 1.385 140 G CA 0.464 45.399 45.100 -0.275 0.000 0.856 140 G HN 0.047 8.070 8.290 -0.445 0.000 0.584 141 W N 1.280 122.545 121.300 -0.059 0.000 3.015 141 W HA 0.367 4.988 4.660 -0.064 0.000 0.429 141 W C -0.244 176.333 176.519 0.096 0.000 0.976 141 W CA -0.918 56.367 57.345 -0.100 0.000 2.086 141 W CB -0.059 29.138 29.460 -0.438 0.000 1.125 141 W HN 0.594 8.964 8.180 0.316 0.000 0.721 142 G N 0.726 109.710 108.800 0.307 0.000 2.588 142 G HA2 -0.025 4.299 3.960 0.585 0.000 0.281 142 G HA3 -0.025 4.278 3.960 0.299 -0.163 0.281 142 G C -0.960 174.051 174.900 0.186 0.000 1.236 142 G CA -0.902 44.418 45.100 0.367 0.000 0.969 142 G HN -0.441 8.119 8.290 0.193 -0.154 0.504 143 N N -0.369 118.342 118.700 0.017 0.000 2.293 143 N HA -0.328 4.125 4.740 -0.780 -0.181 0.253 143 N C 0.849 176.266 175.510 -0.156 0.000 1.248 143 N CA 1.168 53.993 53.050 -0.376 0.000 0.845 143 N CB 0.522 38.795 38.487 -0.356 0.000 1.073 143 N HN 0.275 8.783 8.380 0.214 0.000 0.464 144 T N 0.864 115.321 114.554 -0.163 0.000 3.092 144 T HA 0.198 4.654 4.350 -0.052 -0.138 0.258 144 T C 0.197 174.856 174.700 -0.069 0.000 1.031 144 T CA 0.246 62.300 62.100 -0.078 0.000 0.925 144 T CB 1.121 69.956 68.868 -0.054 0.000 1.036 144 T HN 0.341 8.440 8.240 -0.235 0.000 0.544 145 K N 2.236 122.581 120.400 -0.092 0.000 2.259 145 K HA 0.303 4.600 4.320 -0.039 0.000 0.252 145 K C -0.363 176.213 176.600 -0.040 0.000 0.936 145 K CA -1.093 55.159 56.287 -0.059 0.000 0.810 145 K CB 2.811 35.272 32.500 -0.064 0.000 1.143 145 K HN -0.640 7.732 8.250 -0.144 -0.209 0.427 146 S N -0.704 114.987 115.700 -0.016 0.000 2.478 146 S HA -0.083 4.391 4.470 0.007 0.000 0.222 146 S C 0.062 174.665 174.600 0.005 0.000 1.008 146 S CA 1.264 59.466 58.200 0.003 0.000 0.928 146 S CB 0.904 64.112 63.200 0.013 0.000 0.781 146 S HN 0.148 8.450 8.310 -0.013 0.000 0.518 147 S N 0.113 115.812 115.700 -0.001 0.000 2.532 147 S HA 0.188 4.665 4.470 0.011 0.000 0.256 147 S C -0.924 173.674 174.600 -0.003 0.000 1.298 147 S CA -0.854 57.348 58.200 0.004 0.000 1.166 147 S CB 0.162 63.366 63.200 0.007 0.000 1.022 147 S HN -0.710 7.569 8.310 -0.008 0.027 0.480 148 G N 1.476 110.274 108.800 -0.002 0.000 2.440 148 G HA2 -0.227 3.740 3.960 0.012 0.000 0.684 148 G HA3 -0.227 3.729 3.960 -0.006 0.000 0.684 148 G C -2.502 172.379 174.900 -0.032 0.000 1.309 148 G CA -0.788 44.309 45.100 -0.004 0.000 0.931 148 G HN -0.134 8.159 8.290 0.004 0.000 0.612 149 T N -3.525 111.013 114.554 -0.027 0.000 2.797 149 T HA 0.091 4.440 4.350 -0.248 -0.148 0.279 149 T C -1.333 173.273 174.700 -0.157 0.000 0.991 149 T CA -1.534 60.495 62.100 -0.118 0.000 0.979 149 T CB 1.728 70.666 68.868 0.116 0.000 0.943 149 T HN -0.166 8.079 8.240 0.010 0.000 0.444 150 S N 4.114 119.608 115.700 -0.344 0.000 2.673 150 S HA 0.207 4.656 4.470 -0.036 0.000 0.256 150 S C -2.073 172.352 174.600 -0.293 0.000 1.141 150 S CA -0.411 57.690 58.200 -0.165 0.000 1.109 150 S CB 0.904 64.045 63.200 -0.098 0.000 1.101 150 S HN 0.634 8.957 8.310 -0.585 -0.364 0.471 151 Y N 5.656 125.997 120.300 0.068 0.000 2.323 151 Y HA 0.165 4.774 4.550 0.099 0.000 0.331 151 Y C -0.944 175.006 175.900 0.084 0.000 1.092 151 Y CA -2.523 55.631 58.100 0.090 0.000 1.150 151 Y CB 0.888 39.413 38.460 0.107 0.000 1.200 151 Y HN 0.019 8.425 8.280 0.210 0.000 0.472 152 P HA 0.144 4.638 4.420 0.124 0.000 0.281 152 P C -1.326 176.100 177.300 0.209 0.000 1.264 152 P CA -1.168 62.030 63.100 0.164 0.000 0.824 152 P CB 1.762 33.531 31.700 0.116 0.000 1.092 153 D N -1.834 118.665 120.400 0.165 0.000 2.216 153 D HA -0.023 4.684 4.640 0.112 0.000 0.208 153 D C -0.671 175.777 176.300 0.247 0.000 0.960 153 D CA 1.857 55.946 54.000 0.148 0.000 0.861 153 D CB 1.069 41.926 40.800 0.096 0.000 0.985 153 D HN 0.412 8.860 8.370 0.130 0.000 0.493 154 V N -8.148 111.907 119.914 0.234 0.000 2.975 154 V HA 0.718 5.367 4.120 0.398 -0.291 0.318 154 V C -0.664 175.480 176.094 0.083 0.000 1.077 154 V CA -2.834 59.614 62.300 0.247 0.000 1.000 154 V CB 2.098 33.987 31.823 0.109 0.000 1.066 154 V HN -0.921 7.366 8.190 0.161 0.000 0.452 155 L N 1.846 122.979 121.223 -0.150 0.000 2.499 155 L HA -0.065 3.456 4.340 -1.365 0.000 0.273 155 L C -0.294 176.318 176.870 -0.430 0.000 1.195 155 L CA 0.956 55.359 54.840 -0.728 0.000 0.882 155 L CB 0.575 42.183 42.059 -0.751 0.000 1.133 155 L HN -0.023 8.411 8.230 0.065 -0.165 0.483 156 K N 5.672 125.802 120.400 -0.450 0.000 2.208 156 K HA 0.711 5.000 4.320 -0.320 -0.162 0.247 156 K C -1.146 175.201 176.600 -0.421 0.000 0.953 156 K CA -2.562 53.517 56.287 -0.345 0.000 0.837 156 K CB 2.631 34.994 32.500 -0.228 0.000 1.131 156 K HN -0.199 7.713 8.250 -0.563 0.000 0.431 157 c N -0.732 117.515 118.600 -0.588 0.000 2.614 157 c HA 0.925 5.419 4.570 -0.399 -0.164 0.320 157 c C -1.711 172.009 174.090 -0.617 0.000 1.200 157 c CA -0.761 55.170 56.329 -0.663 0.000 1.700 157 c CB 3.485 45.444 42.510 -0.917 0.000 2.275 157 c HN 0.742 8.448 8.230 -0.697 0.106 0.492 158 L N 0.213 121.283 121.223 -0.255 0.000 2.526 158 L HA 0.373 4.742 4.340 0.049 0.000 0.263 158 L C -2.544 174.387 176.870 0.102 0.000 0.943 158 L CA 0.201 55.033 54.840 -0.012 0.000 0.859 158 L CB 4.445 46.520 42.059 0.027 0.000 1.313 158 L HN 0.679 8.797 8.230 -0.186 0.000 0.406 159 K N 5.746 126.271 120.400 0.208 0.000 2.213 159 K HA 0.882 5.495 4.320 0.127 -0.217 0.270 159 K C -0.898 175.838 176.600 0.228 0.000 1.002 159 K CA -1.499 54.898 56.287 0.183 0.000 0.868 159 K CB 1.303 33.918 32.500 0.192 0.000 1.093 159 K HN 0.342 8.747 8.250 0.258 0.000 0.454 160 A N 4.315 127.206 122.820 0.118 0.000 2.486 160 A HA 0.641 4.982 4.320 0.034 0.000 0.300 160 A C -3.376 174.149 177.584 -0.099 0.000 1.048 160 A CA -2.771 49.275 52.037 0.014 0.000 0.696 160 A CB 3.073 22.083 19.000 0.017 0.000 1.278 160 A HN 0.899 9.085 8.150 0.061 0.000 0.405 161 P HA 0.640 5.207 4.420 -0.103 -0.209 0.284 161 P C -0.966 176.260 177.300 -0.124 0.000 1.258 161 P CA -1.332 61.678 63.100 -0.149 0.000 0.824 161 P CB 1.376 32.982 31.700 -0.157 0.000 1.038 162 I N 0.474 120.983 120.570 -0.102 0.000 2.529 162 I HA -0.102 4.188 4.170 0.033 -0.101 0.284 162 I C 0.047 176.139 176.117 -0.043 0.000 1.082 162 I CA 0.732 61.990 61.300 -0.071 0.000 1.406 162 I CB 0.278 38.142 38.000 -0.225 0.000 1.405 162 I HN 0.162 8.303 8.210 -0.115 0.000 0.548 163 L N 6.477 127.713 121.223 0.022 0.000 2.416 163 L HA 0.286 4.609 4.340 -0.028 0.000 0.262 163 L C -0.119 176.760 176.870 0.015 0.000 1.093 163 L CA -1.087 53.757 54.840 0.006 0.000 0.801 163 L CB 0.827 42.901 42.059 0.024 0.000 1.191 163 L HN 0.423 8.604 8.230 0.104 0.111 0.459 164 S N -1.599 114.104 115.700 0.005 0.000 2.593 164 S HA -0.103 4.366 4.470 -0.001 0.000 0.269 164 S C 0.449 175.068 174.600 0.032 0.000 1.334 164 S CA -0.862 57.343 58.200 0.008 0.000 1.015 164 S CB 1.768 64.969 63.200 0.001 0.000 0.912 164 S HN -0.061 8.248 8.310 -0.003 0.000 0.541 165 D N 1.851 122.271 120.400 0.033 0.000 2.144 165 D HA -0.234 4.450 4.640 0.073 0.000 0.199 165 D C 1.560 177.888 176.300 0.045 0.000 0.984 165 D CA 3.637 57.667 54.000 0.051 0.000 0.834 165 D CB -0.448 40.378 40.800 0.044 0.000 0.955 165 D HN 0.595 8.978 8.370 0.021 0.000 0.465 166 S N -1.164 114.554 115.700 0.029 0.000 2.368 166 S HA -0.280 4.208 4.470 0.029 0.000 0.225 166 S C 2.172 176.785 174.600 0.022 0.000 1.030 166 S CA 3.206 61.421 58.200 0.024 0.000 0.999 166 S CB -0.777 62.432 63.200 0.014 0.000 0.844 166 S HN 0.032 8.356 8.310 0.022 0.000 0.459 167 S N 3.819 119.529 115.700 0.018 0.000 2.383 167 S HA -0.236 4.233 4.470 -0.001 0.000 0.227 167 S C 1.857 176.467 174.600 0.016 0.000 1.026 167 S CA 4.113 62.318 58.200 0.008 0.000 0.981 167 S CB -0.130 63.072 63.200 0.003 0.000 0.818 167 S HN -0.508 7.813 8.310 0.018 0.000 0.472 168 c N 3.563 122.192 118.600 0.049 0.000 2.436 168 c HA -0.305 4.322 4.570 0.095 0.000 0.277 168 c C 1.658 175.815 174.090 0.113 0.000 1.241 168 c CA 2.832 59.218 56.329 0.095 0.000 1.721 168 c CB -1.703 40.878 42.510 0.118 0.000 2.043 168 c HN -0.190 8.071 8.230 0.051 0.000 0.472 169 K N -1.183 119.273 120.400 0.094 0.000 2.211 169 K HA -0.298 4.109 4.320 0.144 0.000 0.203 169 K C 2.426 179.063 176.600 0.062 0.000 1.050 169 K CA 2.936 59.282 56.287 0.098 0.000 0.945 169 K CB -0.265 32.281 32.500 0.076 0.000 0.732 169 K HN 0.127 8.425 8.250 0.079 0.000 0.451 170 S N -1.257 114.458 115.700 0.025 0.000 2.406 170 S HA -0.182 4.293 4.470 0.008 0.000 0.228 170 S C 1.349 175.920 174.600 -0.048 0.000 1.020 170 S CA 2.598 60.795 58.200 -0.004 0.000 0.965 170 S CB -0.006 63.187 63.200 -0.011 0.000 0.798 170 S HN -0.275 7.945 8.310 0.025 0.105 0.488 171 A N 0.157 122.915 122.820 -0.104 0.000 1.897 171 A HA -0.118 4.042 4.320 -0.267 0.000 0.215 171 A C -0.019 177.289 177.584 -0.459 0.000 1.181 171 A CA 2.155 53.999 52.037 -0.321 0.000 0.620 171 A CB 0.784 19.520 19.000 -0.439 0.000 0.821 171 A HN -0.557 7.451 8.150 -0.059 0.106 0.443 172 Y N -5.330 115.009 120.300 0.065 0.000 2.638 172 Y HA 0.463 5.089 4.550 0.127 0.000 0.367 172 Y C -2.268 173.694 175.900 0.104 0.000 1.001 172 Y CA -3.650 54.523 58.100 0.122 0.000 1.133 172 Y CB -0.384 38.196 38.460 0.200 0.000 1.199 172 Y HN -0.429 7.879 8.280 0.047 0.000 0.642 173 P HA -0.102 4.506 4.420 0.106 -0.124 0.262 173 P C 0.962 178.333 177.300 0.118 0.000 1.182 173 P CA 1.122 64.290 63.100 0.113 0.000 0.761 173 P CB 0.015 31.755 31.700 0.065 0.000 0.795 174 G N 4.327 113.187 108.800 0.100 0.000 2.189 174 G HA2 -0.366 3.631 3.960 0.062 0.000 0.267 174 G HA3 -0.366 3.629 3.960 0.058 0.000 0.267 174 G C 0.210 175.162 174.900 0.087 0.000 0.975 174 G CA 0.569 45.715 45.100 0.076 0.000 0.644 174 G HN 0.561 8.908 8.290 0.096 0.000 0.537 175 Q N -1.792 118.097 119.800 0.149 0.000 2.247 175 Q HA 0.068 4.440 4.340 0.054 0.000 0.211 175 Q C -0.501 175.633 176.000 0.223 0.000 0.861 175 Q CA -0.387 55.505 55.803 0.149 0.000 0.949 175 Q CB 1.173 30.030 28.738 0.198 0.000 1.115 175 Q HN -0.340 7.968 8.270 0.197 0.080 0.507 176 I N -0.196 120.500 120.570 0.211 0.000 2.336 176 I HA 0.036 4.357 4.170 0.251 0.000 0.292 176 I C -0.220 175.977 176.117 0.132 0.000 0.991 176 I CA -1.969 59.449 61.300 0.196 0.000 1.227 176 I CB -0.312 37.795 38.000 0.180 0.000 1.366 176 I HN -0.430 7.890 8.210 0.184 0.000 0.466 177 T N 1.871 116.499 114.554 0.123 0.000 2.922 177 T HA 0.350 4.741 4.350 0.069 0.000 0.281 177 T C 0.608 175.358 174.700 0.083 0.000 1.005 177 T CA -2.109 60.042 62.100 0.084 0.000 0.982 177 T CB 2.477 71.387 68.868 0.070 0.000 1.158 177 T HN -0.514 7.815 8.240 0.149 0.000 0.566 178 S N -2.386 113.349 115.700 0.058 0.000 2.603 178 S HA -0.164 4.345 4.470 0.065 0.000 0.229 178 S C -0.088 174.549 174.600 0.062 0.000 0.972 178 S CA 1.583 59.814 58.200 0.052 0.000 0.935 178 S CB -0.181 63.031 63.200 0.020 0.000 0.769 178 S HN 0.239 8.573 8.310 0.042 0.000 0.536 179 N N 0.450 119.200 118.700 0.083 0.000 2.273 179 N HA 0.135 4.932 4.740 0.095 0.000 0.231 179 N C -1.859 173.758 175.510 0.179 0.000 1.134 179 N CA -0.428 52.698 53.050 0.126 0.000 0.856 179 N CB 0.915 39.496 38.487 0.158 0.000 1.068 179 N HN -0.613 7.730 8.380 0.083 0.087 0.510 180 M N -1.069 118.625 119.600 0.157 0.000 2.572 180 M HA 0.837 5.573 4.480 0.069 -0.215 0.299 180 M C -2.429 173.981 176.300 0.184 0.000 1.205 180 M CA -0.420 54.948 55.300 0.115 0.000 0.876 180 M CB 5.125 37.777 32.600 0.088 0.000 1.728 180 M HN -0.726 7.557 8.290 0.142 0.092 0.458 181 F N -5.961 114.031 119.950 0.070 0.000 2.645 181 F HA 0.617 5.173 4.527 0.048 0.000 0.310 181 F C -2.685 173.164 175.800 0.082 0.000 1.102 181 F CA -1.648 56.391 58.000 0.064 0.000 0.952 181 F CB 2.462 41.498 39.000 0.059 0.000 1.326 181 F HN 0.084 8.240 8.300 -0.239 0.000 0.456 182 c N 0.283 119.066 118.600 0.305 0.000 2.366 182 c HA 0.962 5.781 4.570 0.098 -0.190 0.345 182 c C -0.968 173.332 174.090 0.349 0.000 1.209 182 c CA -0.776 55.680 56.329 0.212 0.000 2.050 182 c CB 2.510 45.103 42.510 0.139 0.000 2.359 182 c HN 0.852 9.278 8.230 0.327 0.000 0.527 183 A N 2.763 125.771 122.820 0.313 0.000 2.476 183 A HA 0.667 5.199 4.320 0.093 -0.155 0.280 183 A C -2.246 175.397 177.584 0.100 0.000 1.081 183 A CA -0.474 51.661 52.037 0.163 0.000 0.753 183 A CB 2.746 21.774 19.000 0.047 0.000 1.248 183 A HN 0.301 8.663 8.150 0.353 0.000 0.424 184 Y N 3.092 123.426 120.300 0.056 0.000 2.452 184 Y HA 0.063 4.633 4.550 0.034 0.000 0.348 184 Y C 0.950 176.867 175.900 0.028 0.000 0.985 184 Y CA -0.276 57.846 58.100 0.038 0.000 1.214 184 Y CB 0.001 38.481 38.460 0.034 0.000 1.136 184 Y HN 0.169 8.595 8.280 0.242 0.000 0.523 185 L N 3.910 125.198 121.223 0.108 0.000 2.353 185 L HA -0.338 4.031 4.340 0.049 0.000 0.220 185 L C 1.016 177.930 176.870 0.074 0.000 1.133 185 L CA 2.222 57.100 54.840 0.064 0.000 0.798 185 L CB -0.470 41.605 42.059 0.026 0.000 0.922 185 L HN 0.508 8.778 8.230 0.067 0.000 0.445 186 E N -2.143 118.122 120.200 0.107 0.000 2.427 186 E HA -0.086 4.293 4.350 0.049 0.000 0.196 186 E C 0.850 177.489 176.600 0.064 0.000 1.028 186 E CA 0.040 56.483 56.400 0.072 0.000 0.864 186 E CB -0.452 29.288 29.700 0.068 0.000 0.813 186 E HN 0.032 8.435 8.360 0.159 0.052 0.514 187 G N 0.937 109.792 108.800 0.092 0.000 3.405 187 G HA2 -0.372 3.641 3.960 0.088 0.000 0.676 187 G HA3 -0.372 3.617 3.960 0.047 0.000 0.676 187 G C -0.901 174.023 174.900 0.040 0.000 1.039 187 G CA -0.155 44.987 45.100 0.069 0.000 0.855 187 G HN -0.350 7.850 8.290 0.139 0.173 0.443 188 K N 1.327 121.724 120.400 -0.005 0.000 7.219 188 K HA -0.599 3.871 4.320 0.003 -0.148 0.683 188 K C -1.341 175.350 176.600 0.152 0.000 2.548 188 K CA 0.407 56.704 56.287 0.017 0.000 1.868 188 K CB -0.051 32.361 32.500 -0.146 0.000 1.932 188 K HN 0.141 8.417 8.250 0.042 0.000 0.297 189 D N 0.299 120.775 120.400 0.128 0.000 2.764 189 D HA 0.295 5.062 4.640 0.211 0.000 0.293 189 D C -1.855 174.519 176.300 0.123 0.000 1.287 189 D CA -0.614 53.479 54.000 0.155 0.000 0.768 189 D CB 4.285 45.159 40.800 0.123 0.000 1.288 189 D HN 0.126 8.545 8.370 0.083 0.000 0.426 190 S N -1.640 114.147 115.700 0.146 0.000 2.681 190 S HA 0.265 4.797 4.470 0.102 0.000 0.270 190 S C -1.365 173.288 174.600 0.088 0.000 1.209 190 S CA -0.348 57.928 58.200 0.127 0.000 0.988 190 S CB 1.627 64.944 63.200 0.195 0.000 1.006 190 S HN 0.244 8.660 8.310 0.176 0.000 0.558 191 c N -1.698 116.958 118.600 0.092 0.000 3.293 191 c HA 0.318 4.935 4.570 0.079 0.000 0.362 191 c C -1.540 172.635 174.090 0.141 0.000 1.539 191 c CA -0.700 55.684 56.329 0.090 0.000 1.201 191 c CB 2.918 45.461 42.510 0.056 0.000 1.770 191 c HN 0.175 8.748 8.230 0.109 -0.279 0.440 192 Q N 1.735 121.632 119.800 0.162 0.000 2.315 192 Q HA -0.254 4.218 4.340 0.219 0.000 0.289 192 Q C 0.701 176.908 176.000 0.346 0.000 1.044 192 Q CA 2.123 58.069 55.803 0.239 0.000 0.920 192 Q CB 0.642 29.524 28.738 0.241 0.000 1.214 192 Q HN 0.600 8.946 8.270 0.128 0.000 0.392 193 G N 6.664 115.662 108.800 0.330 0.000 2.259 193 G HA2 -0.394 3.744 3.960 0.298 0.000 0.217 193 G HA3 -0.394 3.891 3.960 0.542 0.000 0.217 193 G C 0.729 175.852 174.900 0.372 0.000 1.001 193 G CA 1.040 46.377 45.100 0.397 0.000 0.627 193 G HN 0.748 9.204 8.290 0.276 0.000 0.501 194 D N 1.726 122.291 120.400 0.276 0.000 2.333 194 D HA 0.057 4.844 4.640 0.245 0.000 0.208 194 D C 0.144 176.549 176.300 0.175 0.000 0.984 194 D CA 1.073 55.203 54.000 0.216 0.000 0.873 194 D CB 0.549 41.446 40.800 0.161 0.000 0.935 194 D HN 0.044 8.467 8.370 0.254 0.099 0.521 195 S N -0.610 115.194 115.700 0.174 0.000 2.599 195 S HA -0.588 4.111 4.470 0.156 -0.136 0.303 195 S C 0.896 175.508 174.600 0.020 0.000 1.267 195 S CA 2.741 61.022 58.200 0.135 0.000 1.055 195 S CB 0.097 63.433 63.200 0.227 0.000 0.790 195 S HN -0.365 8.069 8.310 0.206 0.000 0.500 196 G N 4.668 113.463 108.800 -0.009 0.000 2.241 196 G HA2 -0.447 3.559 3.960 -0.052 0.000 0.244 196 G HA3 -0.447 3.583 3.960 -0.076 -0.116 0.244 196 G C -0.198 174.729 174.900 0.045 0.000 0.998 196 G CA 0.104 45.186 45.100 -0.031 0.000 0.621 196 G HN 0.776 8.979 8.290 0.030 0.105 0.519 197 G N 0.963 109.817 108.800 0.089 0.000 2.621 197 G HA2 0.357 4.457 3.960 0.117 0.000 0.271 197 G HA3 0.357 4.390 3.960 0.121 0.000 0.271 197 G C -2.642 172.336 174.900 0.130 0.000 1.236 197 G CA -1.936 43.234 45.100 0.117 0.000 0.958 197 G HN -0.351 7.911 8.290 0.098 0.087 0.512 198 P HA 0.334 4.949 4.420 0.114 -0.126 0.281 198 P C -1.600 175.759 177.300 0.100 0.000 1.249 198 P CA -0.909 62.274 63.100 0.138 0.000 0.810 198 P CB 1.670 33.505 31.700 0.225 0.000 1.008 199 V N 2.482 122.431 119.914 0.059 0.000 2.419 199 V HA 0.257 4.522 4.120 -0.024 -0.159 0.287 199 V C -1.369 174.730 176.094 0.008 0.000 1.017 199 V CA -0.424 61.873 62.300 -0.003 0.000 0.844 199 V CB 1.764 33.556 31.823 -0.051 0.000 1.011 199 V HN -0.270 7.959 8.190 0.065 0.000 0.429 200 V N 8.035 127.946 119.914 -0.005 0.000 2.459 200 V HA 0.637 4.898 4.120 -0.075 -0.186 0.295 200 V C -1.368 174.706 176.094 -0.033 0.000 1.029 200 V CA -1.310 60.959 62.300 -0.051 0.000 0.874 200 V CB 3.113 34.878 31.823 -0.096 0.000 0.985 200 V HN 0.524 8.726 8.190 0.020 0.000 0.438 201 c N 7.468 126.037 118.600 -0.051 0.000 2.441 201 c HA 0.594 5.143 4.570 -0.035 0.000 0.318 201 c C 0.182 174.244 174.090 -0.047 0.000 1.222 201 c CA -1.284 55.014 56.329 -0.051 0.000 1.474 201 c CB 2.209 44.670 42.510 -0.082 0.000 2.125 201 c HN 0.580 8.772 8.230 -0.063 0.000 0.479 202 S N 5.231 120.912 115.700 -0.032 0.000 3.549 202 S HA -0.346 4.115 4.470 -0.016 0.000 0.366 202 S C 0.358 174.941 174.600 -0.028 0.000 1.012 202 S CA 0.981 59.166 58.200 -0.026 0.000 1.141 202 S CB -1.257 61.923 63.200 -0.033 0.000 0.910 202 S HN 1.123 9.419 8.310 -0.023 0.000 0.471 203 G N -5.151 103.631 108.800 -0.029 0.000 2.168 203 G HA2 -0.359 3.577 3.960 -0.041 0.000 0.257 203 G HA3 -0.359 3.586 3.960 -0.025 0.000 0.257 203 G C -0.794 174.061 174.900 -0.076 0.000 0.997 203 G CA 0.499 45.574 45.100 -0.042 0.000 0.708 203 G HN 0.308 8.575 8.290 -0.021 0.011 0.520 210 Q N 1.170 120.991 119.800 0.035 0.000 2.396 210 Q HA 0.199 4.583 4.340 0.074 0.000 0.220 210 Q C -0.205 175.967 176.000 0.287 0.000 0.900 210 Q CA 0.165 56.019 55.803 0.086 0.000 0.925 210 Q CB 2.674 31.389 28.738 -0.038 0.000 1.065 210 Q HN 0.250 8.529 8.270 0.014 0.000 0.535 211 G N -3.131 105.842 108.800 0.289 0.000 2.694 211 G HA2 0.618 5.052 3.960 0.371 0.000 0.290 211 G HA3 0.618 4.801 3.960 0.373 0.000 0.290 211 G C -3.248 171.755 174.900 0.172 0.000 1.386 211 G CA -0.727 44.566 45.100 0.321 0.000 0.872 211 G HN -0.420 7.974 8.290 0.173 0.000 0.475 212 I N -1.248 119.415 120.570 0.155 0.000 2.498 212 I HA 0.587 5.061 4.170 0.138 -0.222 0.290 212 I C -0.420 175.816 176.117 0.198 0.000 1.032 212 I CA -1.509 59.874 61.300 0.138 0.000 1.073 212 I CB 4.412 42.456 38.000 0.072 0.000 1.251 212 I HN -0.390 7.972 8.210 0.125 -0.077 0.426 213 V N 6.944 126.994 119.914 0.226 0.000 2.493 213 V HA -0.215 4.004 4.120 0.164 0.000 0.292 213 V C -1.119 175.007 176.094 0.053 0.000 1.016 213 V CA 2.124 64.525 62.300 0.168 0.000 1.097 213 V CB -1.025 30.907 31.823 0.183 0.000 0.947 213 V HN 0.314 8.619 8.190 0.191 0.000 0.479 214 S N 7.655 123.297 115.700 -0.098 0.000 3.334 214 S HA 0.288 4.962 4.470 0.340 0.000 0.224 214 S C -0.843 173.857 174.600 0.166 0.000 0.959 214 S CA 0.893 59.170 58.200 0.130 0.000 0.815 214 S CB 2.349 65.609 63.200 0.100 0.000 0.861 214 S HN -0.078 7.973 8.310 -0.433 0.000 0.596 215 W N -4.270 116.872 121.300 -0.264 0.000 2.940 215 W HA 0.274 4.823 4.660 -0.185 0.000 0.394 215 W C -2.953 173.394 176.519 -0.288 0.000 1.155 215 W CA -0.753 56.442 57.345 -0.249 0.000 1.165 215 W CB 0.677 29.984 29.460 -0.255 0.000 1.492 215 W HN -0.274 7.578 8.180 -0.546 0.000 0.593 216 G N -3.205 105.668 108.800 0.122 0.000 2.451 216 G HA2 0.143 3.875 3.960 -0.380 0.000 0.292 216 G HA3 0.143 4.055 3.960 -0.079 0.000 0.292 216 G C -2.343 172.685 174.900 0.213 0.000 1.427 216 G CA 0.254 45.330 45.100 -0.040 0.000 0.792 216 G HN -0.038 8.469 8.290 0.362 0.000 0.498 220 c N 1.912 120.552 118.600 0.066 0.000 3.370 220 c HA 0.293 5.041 4.570 0.068 -0.137 0.190 220 c C -1.398 172.726 174.090 0.056 0.000 1.647 220 c CA -1.019 55.346 56.329 0.061 0.000 1.277 220 c CB -1.494 41.045 42.510 0.047 0.000 2.037 220 c HN 0.321 8.586 8.230 0.058 0.000 0.537 221 Q N -1.972 117.864 119.800 0.060 0.000 2.920 221 Q HA 0.095 4.458 4.340 0.039 0.000 0.255 221 Q C -1.417 174.608 176.000 0.043 0.000 0.976 221 Q CA -0.732 55.099 55.803 0.047 0.000 0.862 221 Q CB 2.075 30.843 28.738 0.050 0.000 1.952 221 Q HN -0.064 8.249 8.270 0.071 0.000 0.489 222 K N 3.990 124.409 120.400 0.030 0.000 2.448 222 K HA -0.283 4.172 4.320 0.036 -0.114 0.278 222 K C 0.212 176.814 176.600 0.003 0.000 1.009 222 K CA 0.798 57.099 56.287 0.023 0.000 0.995 222 K CB -0.083 32.427 32.500 0.017 0.000 0.917 222 K HN 0.289 8.555 8.250 0.027 0.000 0.481 223 N N 1.812 120.508 118.700 -0.006 0.000 2.815 223 N HA -0.484 4.228 4.740 -0.046 0.000 0.247 223 N C -1.564 173.877 175.510 -0.116 0.000 1.030 223 N CA 1.766 54.784 53.050 -0.053 0.000 0.881 223 N CB -0.314 38.137 38.487 -0.060 0.000 1.134 223 N HN 0.769 9.031 8.380 0.014 0.127 0.582 224 K N -1.571 118.790 120.400 -0.065 0.000 2.562 224 K HA 0.545 4.660 4.320 -0.342 0.000 0.206 224 K C -2.339 174.308 176.600 0.078 0.000 1.033 224 K CA -3.514 52.730 56.287 -0.072 0.000 1.029 224 K CB -0.210 32.318 32.500 0.046 0.000 1.393 224 K HN -0.720 7.457 8.250 -0.007 0.068 0.539 225 P HA 0.002 4.488 4.420 0.109 0.000 0.274 225 P C -0.480 176.881 177.300 0.103 0.000 1.256 225 P CA -0.411 62.759 63.100 0.117 0.000 0.795 225 P CB 1.217 32.972 31.700 0.091 0.000 1.038 226 G N -2.222 106.602 108.800 0.040 0.000 2.503 226 G HA2 0.316 4.090 3.960 -0.310 0.000 0.257 226 G HA3 0.316 4.170 3.960 -0.178 0.000 0.257 226 G C -1.762 172.827 174.900 -0.519 0.000 1.214 226 G CA -0.661 44.294 45.100 -0.240 0.000 0.839 226 G HN -0.379 7.990 8.290 0.132 0.000 0.559 227 V N 1.812 121.081 119.914 -1.074 0.000 2.555 227 V HA 0.540 4.401 4.120 -0.683 -0.150 0.302 227 V C -0.999 174.330 176.094 -1.274 0.000 1.038 227 V CA -0.927 60.687 62.300 -1.142 0.000 0.887 227 V CB 2.364 33.012 31.823 -1.958 0.000 0.991 227 V HN 0.535 8.048 8.190 -1.129 0.000 0.434 228 Y N 4.677 124.573 120.300 -0.673 0.000 2.499 228 Y HA 0.536 4.978 4.550 -0.386 -0.125 0.347 228 Y C 0.227 175.822 175.900 -0.509 0.000 0.987 228 Y CA -2.204 55.504 58.100 -0.653 0.000 1.044 228 Y CB 3.855 41.675 38.460 -1.066 0.000 1.245 228 Y HN 0.971 8.882 8.280 -0.614 0.000 0.461 229 T N 4.915 119.413 114.554 -0.094 0.000 2.870 229 T HA -0.021 4.521 4.350 0.074 -0.148 0.300 229 T C -0.608 174.186 174.700 0.158 0.000 0.989 229 T CA 1.667 63.795 62.100 0.047 0.000 1.139 229 T CB 0.453 69.344 68.868 0.038 0.000 0.920 229 T HN 0.387 8.606 8.240 -0.035 0.000 0.537 230 K N 8.403 128.987 120.400 0.308 0.000 2.127 230 K HA 0.093 4.830 4.320 0.695 0.000 0.261 230 K C 0.970 177.809 176.600 0.397 0.000 1.129 230 K CA -0.534 56.029 56.287 0.459 0.000 0.993 230 K CB -0.385 32.342 32.500 0.379 0.000 1.410 230 K HN 0.081 8.398 8.250 0.283 0.103 0.380 231 V N 5.853 125.987 119.914 0.367 0.000 2.453 231 V HA -0.539 3.864 4.120 0.473 0.000 0.252 231 V C 1.444 177.696 176.094 0.263 0.000 1.068 231 V CA 3.893 66.397 62.300 0.340 0.000 1.070 231 V CB -0.349 31.607 31.823 0.222 0.000 0.664 231 V HN 0.236 8.654 8.190 0.380 0.000 0.461 232 c N -3.437 115.258 118.600 0.157 0.000 2.409 232 c HA -0.221 4.394 4.570 0.075 0.000 0.284 232 c C 1.650 175.756 174.090 0.027 0.000 1.354 232 c CA 1.710 58.084 56.329 0.074 0.000 1.787 232 c CB -2.073 40.454 42.510 0.029 0.000 1.900 232 c HN 0.504 8.810 8.230 0.160 0.020 0.520 233 N N 0.782 119.460 118.700 -0.036 0.000 2.494 233 N HA -0.092 4.543 4.740 -0.174 0.000 0.182 233 N C 0.369 175.622 175.510 -0.428 0.000 1.076 233 N CA 1.278 54.163 53.050 -0.276 0.000 0.908 233 N CB -0.219 37.980 38.487 -0.480 0.000 0.967 233 N HN -0.369 7.998 8.380 0.043 0.039 0.449 234 Y N -4.382 115.976 120.300 0.098 0.000 2.481 234 Y HA 0.142 4.810 4.550 0.196 0.000 0.247 234 Y C 0.464 176.495 175.900 0.219 0.000 1.151 234 Y CA -0.055 58.155 58.100 0.183 0.000 1.238 234 Y CB 0.124 38.704 38.460 0.200 0.000 1.179 234 Y HN -0.209 7.991 8.280 0.174 0.185 0.524 235 V N 1.726 121.779 119.914 0.233 0.000 2.332 235 V HA -0.620 3.599 4.120 0.164 0.000 0.248 235 V C 1.585 177.756 176.094 0.128 0.000 1.055 235 V CA 5.211 67.605 62.300 0.157 0.000 1.038 235 V CB -0.702 31.174 31.823 0.088 0.000 0.651 235 V HN -0.499 7.791 8.190 0.166 0.000 0.450 236 S N -0.731 115.045 115.700 0.126 0.000 2.368 236 S HA -0.310 4.188 4.470 0.048 0.000 0.224 236 S C 1.458 176.142 174.600 0.141 0.000 1.029 236 S CA 3.656 61.914 58.200 0.097 0.000 0.988 236 S CB -0.310 62.940 63.200 0.083 0.000 0.838 236 S HN 0.135 8.517 8.310 0.120 0.000 0.462 237 W N 2.078 123.418 121.300 0.066 0.000 2.355 237 W HA -0.173 4.515 4.660 0.046 0.000 0.309 237 W C 1.444 177.978 176.519 0.026 0.000 1.206 237 W CA 3.118 60.512 57.345 0.082 0.000 1.284 237 W CB -0.061 29.530 29.460 0.218 0.000 1.145 237 W HN -0.249 8.174 8.180 0.406 0.000 0.502 238 I N -0.860 119.754 120.570 0.072 0.000 2.127 238 I HA -0.772 3.075 4.170 -0.539 0.000 0.241 238 I C 1.894 177.810 176.117 -0.336 0.000 1.075 238 I CA 4.624 65.791 61.300 -0.222 0.000 1.334 238 I CB -0.272 37.743 38.000 0.024 0.000 1.040 238 I HN 0.321 8.755 8.210 0.374 0.000 0.405 239 K N -0.971 119.321 120.400 -0.179 0.000 2.032 239 K HA -0.448 3.739 4.320 -0.222 0.000 0.209 239 K C 2.754 179.216 176.600 -0.230 0.000 1.048 239 K CA 3.808 59.983 56.287 -0.187 0.000 0.927 239 K CB -0.324 32.124 32.500 -0.087 0.000 0.712 239 K HN -0.218 7.992 8.250 -0.068 0.000 0.441 240 Q N -1.650 118.028 119.800 -0.204 0.000 2.050 240 Q HA -0.303 3.950 4.340 -0.144 0.000 0.202 240 Q C 2.733 178.549 176.000 -0.305 0.000 0.980 240 Q CA 3.263 58.950 55.803 -0.193 0.000 0.840 240 Q CB 0.068 28.741 28.738 -0.108 0.000 0.898 240 Q HN 0.195 8.373 8.270 -0.152 0.000 0.424 241 T N 2.757 117.005 114.554 -0.510 0.000 2.746 241 T HA -0.243 3.858 4.350 -0.415 0.000 0.267 241 T C 2.532 176.896 174.700 -0.560 0.000 1.039 241 T CA 4.818 66.564 62.100 -0.590 0.000 1.142 241 T CB -0.170 68.068 68.868 -1.050 0.000 0.866 241 T HN 0.171 7.937 8.240 -0.609 0.108 0.444 242 I N 1.220 121.358 120.570 -0.720 0.000 2.252 242 I HA -0.447 2.909 4.170 -1.356 0.000 0.245 242 I C 1.629 177.516 176.117 -0.383 0.000 1.102 242 I CA 3.616 64.371 61.300 -0.908 0.000 1.385 242 I CB -0.399 37.003 38.000 -0.996 0.000 1.064 242 I HN 0.032 7.829 8.210 -0.688 0.000 0.414 243 A N 0.195 122.846 122.820 -0.281 0.000 1.908 243 A HA -0.237 4.021 4.320 -0.104 0.000 0.218 243 A C 1.381 178.912 177.584 -0.089 0.000 1.181 243 A CA 3.111 55.063 52.037 -0.141 0.000 0.627 243 A CB -0.270 18.657 19.000 -0.123 0.000 0.818 243 A HN -0.084 7.870 8.150 -0.327 0.000 0.445 244 S N -4.271 111.363 115.700 -0.109 0.000 2.605 244 S HA 0.073 4.526 4.470 -0.029 0.000 0.217 244 S C -0.532 174.067 174.600 -0.002 0.000 0.958 244 S CA 0.007 58.177 58.200 -0.051 0.000 0.919 244 S CB 0.454 63.617 63.200 -0.061 0.000 0.780 244 S HN -0.339 7.774 8.310 -0.173 0.094 0.507 245 N N 0.000 118.725 118.700 0.041 0.000 1.763 245 N HA 0.000 4.810 4.740 0.117 0.000 0.220 245 N CA 0.000 53.154 53.050 0.174 0.000 0.885 245 N CB 0.000 38.655 38.487 0.279 0.000 1.341 245 N HN 0.000 8.207 8.380 -0.000 0.172 0.667