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 1o2i_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 4.184 4.170 0.023 0.000 0.288 16 I C 0.000 176.110 176.117 -0.012 0.000 1.063 16 I CA 0.000 61.295 61.300 -0.008 0.000 1.566 16 I CB 0.000 37.961 38.000 -0.065 0.000 1.214 17 V N 5.981 125.901 119.914 0.009 0.000 2.472 17 V HA 0.232 4.477 4.120 -0.012 -0.132 0.290 17 V C 0.577 176.677 176.094 0.010 0.000 1.037 17 V CA -1.506 60.796 62.300 0.003 0.000 0.908 17 V CB 1.254 33.085 31.823 0.013 0.000 0.985 17 V HN 0.888 9.097 8.190 0.031 0.000 0.454 18 G N 6.579 115.379 108.800 -0.000 0.000 2.143 18 G HA2 -0.388 3.568 3.960 -0.006 0.000 0.248 18 G HA3 -0.388 3.732 3.960 -0.016 -0.170 0.248 18 G C -0.655 174.258 174.900 0.022 0.000 0.991 18 G CA 0.451 45.550 45.100 -0.002 0.000 0.689 18 G HN 0.795 9.082 8.290 -0.005 0.000 0.522 19 G N -0.881 107.930 108.800 0.020 0.000 2.702 19 G HA2 0.532 4.563 3.960 0.117 0.000 0.254 19 G HA3 0.532 4.551 3.960 -0.072 -0.102 0.254 19 G C -1.738 173.221 174.900 0.099 0.000 1.380 19 G CA -1.030 44.089 45.100 0.032 0.000 1.042 19 G HN -0.657 7.594 8.290 -0.002 0.038 0.557 20 Y N -6.230 114.051 120.300 -0.031 0.000 2.609 20 Y HA 0.387 4.920 4.550 -0.027 0.000 0.342 20 Y C -1.822 174.053 175.900 -0.042 0.000 1.058 20 Y CA -2.830 55.251 58.100 -0.031 0.000 1.055 20 Y CB 1.114 39.558 38.460 -0.026 0.000 1.292 20 Y HN 0.332 8.303 8.280 -0.515 0.000 0.476 21 T N 2.561 117.171 114.554 0.093 0.000 2.799 21 T HA 0.079 4.508 4.350 -0.094 -0.136 0.296 21 T C 0.250 174.971 174.700 0.034 0.000 0.947 21 T CA 1.073 63.173 62.100 0.000 0.000 1.141 21 T CB -0.146 68.749 68.868 0.045 0.000 0.891 21 T HN 0.013 8.359 8.240 0.176 0.000 0.533 22 c N 6.337 124.862 118.600 -0.124 0.000 2.432 22 c HA -0.112 4.454 4.570 -0.008 0.000 0.277 22 c C 0.160 174.271 174.090 0.035 0.000 1.249 22 c CA 0.826 57.115 56.329 -0.067 0.000 1.725 22 c CB 0.260 42.660 42.510 -0.183 0.000 2.028 22 c HN 0.007 8.114 8.230 -0.206 0.000 0.477 23 G N -2.078 106.726 108.800 0.007 0.000 2.697 23 G HA2 -0.147 3.831 3.960 0.030 0.000 0.684 23 G HA3 -0.147 3.833 3.960 0.033 0.000 0.684 23 G C -2.070 172.832 174.900 0.003 0.000 1.274 23 G CA -0.860 44.253 45.100 0.023 0.000 0.806 23 G HN -0.382 7.895 8.290 -0.022 0.000 0.644 24 A N 3.227 126.057 122.820 0.016 0.000 2.548 24 A HA -0.184 4.315 4.320 0.028 -0.162 0.247 24 A C -0.057 177.533 177.584 0.009 0.000 1.067 24 A CA 1.048 53.097 52.037 0.021 0.000 0.757 24 A CB 0.072 19.090 19.000 0.031 0.000 0.996 24 A HN 0.265 8.428 8.150 0.022 0.000 0.504 25 N N -2.659 116.043 118.700 0.004 0.000 2.714 25 N HA -0.378 4.351 4.740 -0.019 0.000 0.250 25 N C 0.417 175.907 175.510 -0.034 0.000 1.117 25 N CA 1.537 54.580 53.050 -0.012 0.000 0.719 25 N CB -0.690 37.801 38.487 0.008 0.000 1.081 25 N HN 0.411 8.800 8.380 0.015 0.000 0.557 26 T N -3.677 110.848 114.554 -0.049 0.000 3.100 26 T HA 0.024 4.363 4.350 -0.018 0.000 0.253 26 T C -0.061 174.580 174.700 -0.099 0.000 1.118 26 T CA 2.010 64.085 62.100 -0.041 0.000 1.058 26 T CB 0.502 69.361 68.868 -0.015 0.000 0.953 26 T HN -0.535 7.646 8.240 -0.052 0.027 0.515 27 V N 2.428 122.219 119.914 -0.204 0.000 2.271 27 V HA 0.384 4.233 4.120 -0.452 0.000 0.259 27 V C -1.556 174.210 176.094 -0.547 0.000 1.030 27 V CA -3.453 58.562 62.300 -0.477 0.000 0.957 27 V CB 0.527 32.047 31.823 -0.503 0.000 1.186 27 V HN -0.519 7.508 8.190 -0.173 0.059 0.471 28 P HA 0.067 4.517 4.420 -0.093 -0.086 0.230 28 P C -0.098 177.157 177.300 -0.074 0.000 1.158 28 P CA 1.469 64.494 63.100 -0.125 0.000 0.769 28 P CB 0.064 31.766 31.700 0.003 0.000 0.807 29 Y N -5.948 114.377 120.300 0.042 0.000 2.457 29 Y HA 0.511 5.230 4.550 0.056 -0.135 0.263 29 Y C -0.686 175.250 175.900 0.060 0.000 1.164 29 Y CA -3.271 54.859 58.100 0.050 0.000 1.274 29 Y CB -1.186 37.300 38.460 0.043 0.000 1.097 29 Y HN -0.428 7.206 8.280 -0.965 0.068 0.523 30 Q N 2.794 122.486 119.800 -0.179 0.000 2.304 30 Q HA 0.280 4.819 4.340 0.101 -0.138 0.260 30 Q C -0.364 175.720 176.000 0.141 0.000 0.965 30 Q CA 0.010 55.802 55.803 -0.019 0.000 0.898 30 Q CB 1.316 29.930 28.738 -0.207 0.000 1.196 30 Q HN -0.654 7.279 8.270 -0.458 0.063 0.402 31 V N 1.125 121.161 119.914 0.203 0.000 3.074 31 V HA 0.839 5.195 4.120 0.201 -0.115 0.314 31 V C -2.142 174.108 176.094 0.261 0.000 1.117 31 V CA -2.867 59.550 62.300 0.195 0.000 1.014 31 V CB 3.972 35.854 31.823 0.097 0.000 1.057 31 V HN 0.171 8.476 8.190 0.192 0.000 0.438 32 S N 0.318 116.072 115.700 0.091 0.000 2.473 32 S HA 0.465 5.164 4.470 0.198 -0.110 0.307 32 S C -1.043 173.423 174.600 -0.225 0.000 1.094 32 S CA -2.020 56.173 58.200 -0.012 0.000 1.070 32 S CB 1.846 64.851 63.200 -0.325 0.000 1.019 32 S HN 0.123 8.443 8.310 0.016 0.000 0.480 33 L N 6.609 127.553 121.223 -0.464 0.000 2.289 33 L HA 0.521 4.741 4.340 -0.397 -0.118 0.285 33 L C -1.493 174.896 176.870 -0.801 0.000 1.049 33 L CA -0.731 53.712 54.840 -0.661 0.000 0.804 33 L CB 0.901 42.363 42.059 -0.995 0.000 1.195 33 L HN 0.585 8.487 8.230 -0.547 0.000 0.428 38 G N -0.040 108.633 108.800 -0.212 0.000 2.179 38 G HA2 -0.276 3.658 3.960 -0.042 0.000 0.220 38 G HA3 -0.276 3.717 3.960 0.056 0.000 0.220 38 G C -1.543 173.410 174.900 0.088 0.000 0.990 38 G CA 0.292 45.373 45.100 -0.031 0.000 0.646 38 G HN 0.345 8.882 8.290 -0.229 -0.384 0.517 39 Y N -7.345 112.931 120.300 -0.040 0.000 2.702 39 Y HA 0.213 4.725 4.550 -0.063 0.000 0.336 39 Y C -2.580 173.315 175.900 -0.009 0.000 1.203 39 Y CA -3.400 54.677 58.100 -0.038 0.000 1.072 39 Y CB 0.821 39.260 38.460 -0.037 0.000 1.327 39 Y HN -1.244 6.780 8.280 -0.456 -0.018 0.456 40 H N 1.933 120.971 119.070 -0.055 0.000 2.690 40 H HA 0.083 4.609 4.556 -0.335 -0.170 0.314 40 H C -0.710 174.630 175.328 0.021 0.000 1.069 40 H CA -0.161 55.777 56.048 -0.183 0.000 1.436 40 H CB 0.596 30.223 29.762 -0.224 0.000 1.462 40 H HN 0.194 8.585 8.280 0.185 0.000 0.511 41 F N 1.156 120.695 119.950 -0.684 0.000 2.834 41 F HA 0.362 4.830 4.527 -0.098 0.000 0.332 41 F C -1.562 174.002 175.800 -0.393 0.000 1.056 41 F CA -0.489 57.311 58.000 -0.332 0.000 1.178 41 F CB 1.768 40.675 39.000 -0.155 0.000 1.037 41 F HN -0.391 7.180 8.300 -1.215 0.000 0.580 42 c N -1.482 116.476 118.600 -1.070 0.000 3.312 42 c HA 0.347 4.861 4.570 -0.167 -0.045 0.332 42 c C -1.638 172.249 174.090 -0.338 0.000 1.340 42 c CA -0.172 55.868 56.329 -0.480 0.000 1.265 42 c CB 3.950 46.251 42.510 -0.350 0.000 1.563 42 c HN -0.836 6.427 8.230 -1.611 0.000 0.471 43 G N -0.824 107.974 108.800 -0.002 0.000 2.613 43 G HA2 0.800 5.057 3.960 0.250 0.000 0.303 43 G HA3 0.800 4.893 3.960 0.222 0.000 0.303 43 G C -2.482 172.444 174.900 0.045 0.000 1.312 43 G CA -1.580 43.610 45.100 0.150 0.000 1.036 43 G HN 0.826 9.127 8.290 0.019 0.000 0.513 44 G N -4.139 104.720 108.800 0.098 0.000 2.506 44 G HA2 0.476 4.777 3.960 0.073 0.000 0.292 44 G HA3 0.476 4.465 3.960 0.050 0.000 0.292 44 G C -2.950 172.033 174.900 0.139 0.000 1.425 44 G CA 0.400 45.549 45.100 0.082 0.000 0.788 44 G HN -0.644 7.738 8.290 0.153 0.000 0.490 45 S N -0.598 115.189 115.700 0.145 0.000 2.521 45 S HA 0.828 5.660 4.470 0.266 -0.201 0.295 45 S C -1.285 173.416 174.600 0.168 0.000 1.098 45 S CA -0.942 57.376 58.200 0.197 0.000 0.999 45 S CB 3.805 67.104 63.200 0.166 0.000 1.034 45 S HN 0.484 8.867 8.310 0.120 0.000 0.483 46 L N 6.012 127.351 121.223 0.194 0.000 2.313 46 L HA 0.209 4.759 4.340 0.146 -0.122 0.282 46 L C -0.640 176.313 176.870 0.139 0.000 1.092 46 L CA -0.275 54.661 54.840 0.159 0.000 0.831 46 L CB 1.043 43.197 42.059 0.158 0.000 1.159 46 L HN 0.433 8.819 8.230 0.259 0.000 0.442 47 I N 0.451 121.100 120.570 0.131 0.000 4.070 47 I HA 0.490 4.859 4.170 0.062 -0.162 0.328 47 I C -0.854 175.321 176.117 0.097 0.000 1.298 47 I CA -0.492 60.863 61.300 0.092 0.000 1.173 47 I CB 0.841 38.886 38.000 0.076 0.000 1.051 47 I HN 0.303 8.609 8.210 0.160 0.000 0.409 48 N N -2.502 116.280 118.700 0.136 0.000 3.179 48 N HA 0.194 4.990 4.740 0.094 0.000 0.250 48 N C -0.664 174.924 175.510 0.130 0.000 1.507 48 N CA -0.745 52.381 53.050 0.127 0.000 0.883 48 N CB 0.893 39.468 38.487 0.145 0.000 1.435 48 N HN -0.907 7.569 8.380 0.162 0.000 0.532 49 S N -3.691 112.072 115.700 0.105 0.000 2.547 49 S HA -0.303 4.209 4.470 0.070 0.000 0.235 49 S C 0.802 175.433 174.600 0.053 0.000 0.980 49 S CA 2.641 60.886 58.200 0.074 0.000 0.941 49 S CB -0.204 63.029 63.200 0.054 0.000 0.763 49 S HN 0.374 8.744 8.310 0.098 0.000 0.532 50 Q N -0.224 119.623 119.800 0.078 0.000 2.164 50 Q HA 0.345 4.623 4.340 -0.103 0.000 0.226 50 Q C -2.054 173.814 176.000 -0.220 0.000 0.813 50 Q CA -0.209 55.544 55.803 -0.082 0.000 0.978 50 Q CB 2.880 31.549 28.738 -0.115 0.000 1.149 50 Q HN 0.155 8.828 8.270 0.172 -0.299 0.489 51 W N -2.247 119.061 121.300 0.012 0.000 2.936 51 W HA 0.765 5.636 4.660 0.010 -0.205 0.338 51 W C -1.355 175.179 176.519 0.024 0.000 1.121 51 W CA -1.160 56.192 57.345 0.011 0.000 1.209 51 W CB 3.785 33.243 29.460 -0.003 0.000 1.420 51 W HN -0.215 8.289 8.180 0.271 -0.161 0.516 52 V N 0.542 120.617 119.914 0.267 0.000 2.823 52 V HA 0.875 5.301 4.120 0.169 -0.204 0.312 52 V C -1.325 174.884 176.094 0.192 0.000 1.072 52 V CA -1.812 60.595 62.300 0.179 0.000 0.937 52 V CB 3.725 35.609 31.823 0.101 0.000 1.013 52 V HN 0.745 9.110 8.190 0.291 0.000 0.430 53 V N 5.546 125.550 119.914 0.149 0.000 2.555 53 V HA 0.777 5.166 4.120 0.159 -0.174 0.302 53 V C -1.290 174.862 176.094 0.098 0.000 1.038 53 V CA -1.303 61.079 62.300 0.135 0.000 0.887 53 V CB 2.602 34.497 31.823 0.121 0.000 0.991 53 V HN 0.551 8.823 8.190 0.137 0.000 0.434 54 S N 4.140 119.886 115.700 0.076 0.000 2.973 54 S HA 0.545 5.246 4.470 0.036 -0.209 0.317 54 S C -2.045 172.550 174.600 -0.008 0.000 1.196 54 S CA -2.469 55.748 58.200 0.028 0.000 0.894 54 S CB 2.462 65.664 63.200 0.003 0.000 1.292 54 S HN 0.686 9.052 8.310 0.093 0.000 0.614 55 A N -0.514 122.263 122.820 -0.072 0.000 2.306 55 A HA 0.418 4.841 4.320 -0.093 -0.159 0.314 55 A C 0.790 178.261 177.584 -0.188 0.000 1.164 55 A CA -1.537 50.419 52.037 -0.134 0.000 0.822 55 A CB 1.567 20.438 19.000 -0.216 0.000 1.130 55 A HN 0.194 8.291 8.150 -0.088 0.000 0.496 56 A N 4.941 127.597 122.820 -0.272 0.000 1.933 56 A HA -0.260 3.915 4.320 -0.242 0.000 0.218 56 A C 1.428 178.776 177.584 -0.393 0.000 1.175 56 A CA 2.964 54.722 52.037 -0.465 0.000 0.628 56 A CB -0.418 17.953 19.000 -1.048 0.000 0.814 56 A HN 0.624 8.620 8.150 -0.251 0.004 0.444 57 H N -4.642 114.258 119.070 -0.283 0.000 2.563 57 H HA -0.097 4.479 4.556 0.033 0.000 0.272 57 H C 0.267 175.641 175.328 0.077 0.000 1.005 57 H CA 1.580 57.623 56.048 -0.007 0.000 1.171 57 H CB -1.040 28.795 29.762 0.122 0.000 1.351 57 H HN 0.144 8.653 8.280 -0.166 -0.329 0.602 58 c N -1.946 116.566 118.600 -0.147 0.000 2.697 58 c HA -0.001 4.627 4.570 0.096 0.000 0.267 58 c C -0.593 173.570 174.090 0.122 0.000 1.278 58 c CA 0.281 56.623 56.329 0.022 0.000 1.708 58 c CB -1.754 40.738 42.510 -0.030 0.000 1.860 58 c HN -0.469 7.450 8.230 -0.219 0.180 0.589 59 Y N 2.725 123.024 120.300 -0.002 0.000 2.717 59 Y HA -0.282 4.287 4.550 0.030 0.000 0.330 59 Y C -1.126 174.756 175.900 -0.029 0.000 1.217 59 Y CA 1.856 59.957 58.100 0.003 0.000 1.506 59 Y CB 0.464 38.912 38.460 -0.020 0.000 1.268 59 Y HN -0.575 7.611 8.280 0.150 0.184 0.561 60 K N 6.706 126.394 120.400 -1.187 0.000 2.615 60 K HA 0.228 4.154 4.320 -0.658 0.000 0.291 60 K C -2.235 173.872 176.600 -0.823 0.000 1.017 60 K CA -1.115 54.673 56.287 -0.832 0.000 0.882 60 K CB 2.740 34.892 32.500 -0.579 0.000 1.522 60 K HN -0.176 7.347 8.250 -1.212 0.000 0.412 61 S N -0.516 114.922 115.700 -0.436 0.000 2.713 61 S HA 0.144 4.453 4.470 -0.270 0.000 0.283 61 S C 0.699 175.180 174.600 -0.199 0.000 1.161 61 S CA -0.376 57.674 58.200 -0.251 0.000 0.999 61 S CB 1.323 64.464 63.200 -0.098 0.000 1.039 61 S HN -0.179 7.941 8.310 -0.317 0.000 0.548 62 G N -0.086 108.634 108.800 -0.132 0.000 2.248 62 G HA2 -0.245 3.665 3.960 -0.083 0.000 0.263 62 G HA3 -0.245 3.645 3.960 -0.117 0.000 0.263 62 G C -1.590 173.244 174.900 -0.110 0.000 1.082 62 G CA 0.143 45.177 45.100 -0.111 0.000 0.863 62 G HN 0.305 8.533 8.290 -0.104 0.000 0.495 63 I N -1.134 119.381 120.570 -0.092 0.000 2.353 63 I HA 0.058 4.344 4.170 -0.001 -0.116 0.293 63 I C -1.631 174.441 176.117 -0.075 0.000 0.992 63 I CA -0.706 60.567 61.300 -0.046 0.000 1.268 63 I CB 0.770 38.759 38.000 -0.017 0.000 1.387 63 I HN -0.471 7.680 8.210 -0.098 0.000 0.478 64 Q N 7.309 127.046 119.800 -0.105 0.000 3.184 64 Q HA 0.478 4.761 4.340 -0.094 0.000 0.236 64 Q C -1.632 174.267 176.000 -0.168 0.000 1.038 64 Q CA -1.903 53.821 55.803 -0.132 0.000 0.857 64 Q CB 4.219 32.850 28.738 -0.179 0.000 1.957 64 Q HN 0.568 8.774 8.270 -0.106 0.000 0.453 65 R N -2.663 117.758 120.500 -0.132 0.000 2.937 65 R HA 0.416 4.987 4.340 0.094 -0.174 0.273 65 R C -1.335 174.990 176.300 0.042 0.000 1.176 65 R CA 0.008 56.069 56.100 -0.066 0.000 1.132 65 R CB 2.458 32.559 30.300 -0.332 0.000 1.270 65 R HN 0.599 8.774 8.270 -0.158 0.000 0.425 70 E N -0.400 119.897 120.200 0.161 0.000 2.283 70 E HA 0.112 4.539 4.350 0.129 0.000 0.267 70 E C -1.838 174.936 176.600 0.290 0.000 1.045 70 E CA 0.265 56.773 56.400 0.178 0.000 0.884 70 E CB 1.557 31.293 29.700 0.060 0.000 1.106 70 E HN -0.633 7.802 8.360 0.182 0.034 0.408 71 D N 0.674 121.225 120.400 0.251 0.000 2.912 71 D HA 0.050 4.903 4.640 0.355 0.000 0.170 71 D C -1.083 175.403 176.300 0.310 0.000 1.484 71 D CA 0.953 55.119 54.000 0.276 0.000 1.542 71 D CB 2.461 43.343 40.800 0.137 0.000 1.344 71 D HN 0.082 8.550 8.370 0.163 0.000 0.222 72 N N 1.107 119.901 118.700 0.156 0.000 2.401 72 N HA 0.169 5.140 4.740 0.145 -0.143 0.255 72 N C 2.046 177.551 175.510 -0.007 0.000 1.110 72 N CA -0.447 52.661 53.050 0.097 0.000 0.949 72 N CB 0.441 38.967 38.487 0.064 0.000 1.110 72 N HN -0.447 8.295 8.380 0.118 -0.291 0.490 73 I N 0.624 121.100 120.570 -0.156 0.000 3.564 73 I HA -0.027 4.138 4.170 -0.262 -0.152 0.294 73 I C -0.699 175.325 176.117 -0.154 0.000 1.289 73 I CA 1.006 62.122 61.300 -0.306 0.000 1.325 73 I CB -0.910 36.660 38.000 -0.717 0.000 1.039 73 I HN 0.279 8.402 8.210 -0.145 0.000 0.474 74 N N -2.164 116.494 118.700 -0.069 0.000 2.184 74 N HA 0.160 4.880 4.740 -0.033 0.000 0.206 74 N C -0.999 174.515 175.510 0.006 0.000 1.151 74 N CA -0.056 52.978 53.050 -0.026 0.000 0.878 74 N CB 2.363 40.845 38.487 -0.009 0.000 1.014 74 N HN -0.094 8.513 8.380 -0.048 -0.256 0.512 75 V N 0.453 120.377 119.914 0.015 0.000 2.588 75 V HA 0.055 4.190 4.120 0.026 0.000 0.304 75 V C -1.422 174.693 176.094 0.035 0.000 1.042 75 V CA -1.036 61.279 62.300 0.026 0.000 0.877 75 V CB 3.275 35.112 31.823 0.024 0.000 0.996 75 V HN -0.811 7.412 8.190 0.006 -0.030 0.425 76 V N 7.742 127.674 119.914 0.029 0.000 2.372 76 V HA -0.171 4.176 4.120 0.024 -0.212 0.261 76 V C 0.159 176.250 176.094 -0.005 0.000 1.055 76 V CA 0.712 63.017 62.300 0.007 0.000 0.930 76 V CB -0.372 31.435 31.823 -0.027 0.000 1.031 76 V HN 0.347 8.551 8.190 0.024 0.000 0.479 77 E N 8.090 128.291 120.200 0.002 0.000 2.431 77 E HA 0.109 4.461 4.350 0.002 0.000 0.200 77 E C -0.083 176.512 176.600 -0.008 0.000 0.995 77 E CA -0.205 56.197 56.400 0.003 0.000 0.915 77 E CB 0.683 30.395 29.700 0.020 0.000 0.930 77 E HN 0.394 9.168 8.360 0.012 -0.407 0.496 78 G N -0.233 108.553 108.800 -0.023 0.000 2.525 78 G HA2 -0.200 3.729 3.960 -0.052 0.000 0.685 78 G HA3 -0.200 3.746 3.960 -0.022 0.000 0.685 78 G C -1.826 173.060 174.900 -0.022 0.000 1.285 78 G CA -0.737 44.343 45.100 -0.032 0.000 0.849 78 G HN -0.479 8.215 8.290 -0.029 -0.421 0.653 79 N N -3.579 115.102 118.700 -0.031 0.000 2.980 79 N HA -0.277 4.453 4.740 -0.016 0.000 0.213 79 N C -0.931 174.571 175.510 -0.013 0.000 0.892 79 N CA 1.280 54.321 53.050 -0.014 0.000 1.025 79 N CB -0.286 38.207 38.487 0.010 0.000 1.030 79 N HN 0.158 8.511 8.380 -0.045 0.000 0.585 80 E N -0.929 119.245 120.200 -0.043 0.000 2.383 80 E HA 0.123 4.740 4.350 0.058 -0.232 0.264 80 E C -0.188 176.352 176.600 -0.099 0.000 1.050 80 E CA 0.728 57.108 56.400 -0.033 0.000 0.896 80 E CB 0.494 30.135 29.700 -0.098 0.000 0.982 80 E HN -0.201 8.023 8.360 -0.064 0.098 0.424 81 Q N 1.448 121.262 119.800 0.023 0.000 2.274 81 Q HA 0.268 4.557 4.340 -0.085 0.000 0.268 81 Q C -1.538 174.616 176.000 0.255 0.000 1.015 81 Q CA -1.159 54.658 55.803 0.024 0.000 0.775 81 Q CB 2.962 31.724 28.738 0.039 0.000 1.256 81 Q HN 0.258 8.615 8.270 0.144 0.000 0.442 82 F N 3.510 123.439 119.950 -0.035 0.000 2.402 82 F HA 0.425 5.090 4.527 -0.052 -0.169 0.355 82 F C -0.193 175.581 175.800 -0.043 0.000 1.123 82 F CA -2.942 55.030 58.000 -0.045 0.000 1.021 82 F CB 0.983 39.955 39.000 -0.048 0.000 1.160 82 F HN 0.371 8.701 8.300 0.051 0.000 0.451 83 I N 4.107 124.750 120.570 0.121 0.000 2.533 83 I HA 0.249 4.446 4.170 0.045 0.000 0.290 83 I C -1.294 174.819 176.117 -0.007 0.000 1.056 83 I CA -1.377 59.947 61.300 0.040 0.000 1.057 83 I CB 3.999 42.008 38.000 0.015 0.000 1.240 83 I HN 0.877 9.141 8.210 0.090 0.000 0.423 84 S N 5.644 121.333 115.700 -0.020 0.000 2.603 84 S HA 0.092 4.645 4.470 -0.052 -0.114 0.268 84 S C -0.461 174.102 174.600 -0.062 0.000 1.317 84 S CA 0.750 58.924 58.200 -0.043 0.000 1.012 84 S CB 1.045 64.222 63.200 -0.037 0.000 0.926 84 S HN 0.418 8.723 8.310 -0.010 0.000 0.539 85 A N 2.669 125.447 122.820 -0.068 0.000 2.363 85 A HA 0.223 4.592 4.320 -0.105 -0.112 0.270 85 A C -0.306 177.228 177.584 -0.082 0.000 1.121 85 A CA -0.433 51.555 52.037 -0.083 0.000 0.800 85 A CB 0.714 19.675 19.000 -0.064 0.000 1.052 85 A HN -0.163 7.949 8.150 -0.064 0.000 0.493 86 S N 3.427 119.059 115.700 -0.113 0.000 2.456 86 S HA 0.080 4.510 4.470 -0.067 0.000 0.224 86 S C 0.401 174.961 174.600 -0.066 0.000 1.035 86 S CA 1.107 59.251 58.200 -0.093 0.000 0.940 86 S CB 1.041 64.164 63.200 -0.128 0.000 0.799 86 S HN 0.864 8.965 8.310 -0.160 0.113 0.508 87 K N -1.186 119.169 120.400 -0.075 0.000 2.587 87 K HA 0.306 4.645 4.320 0.032 0.000 0.276 87 K C -2.602 174.022 176.600 0.041 0.000 0.956 87 K CA -0.512 55.776 56.287 0.002 0.000 0.857 87 K CB 2.547 35.057 32.500 0.016 0.000 1.431 87 K HN -0.792 7.380 8.250 -0.130 0.000 0.420 88 S N 1.145 116.927 115.700 0.137 0.000 2.502 88 S HA 0.705 5.440 4.470 0.171 -0.163 0.304 88 S C -0.772 173.961 174.600 0.221 0.000 1.097 88 S CA -0.474 57.849 58.200 0.205 0.000 1.045 88 S CB 2.582 65.963 63.200 0.301 0.000 1.019 88 S HN 0.188 8.598 8.310 0.166 0.000 0.481 89 I N 7.596 128.306 120.570 0.233 0.000 2.371 89 I HA 0.100 4.368 4.170 0.162 0.000 0.282 89 I C -1.466 174.796 176.117 0.241 0.000 1.031 89 I CA -0.886 60.546 61.300 0.220 0.000 1.180 89 I CB 1.067 39.212 38.000 0.242 0.000 1.336 89 I HN 1.073 9.328 8.210 0.259 0.111 0.467 90 V N 8.144 128.134 119.914 0.127 0.000 2.614 90 V HA -0.189 3.973 4.120 0.070 0.000 0.291 90 V C -0.263 175.908 176.094 0.128 0.000 1.049 90 V CA -0.321 62.017 62.300 0.063 0.000 1.038 90 V CB 0.740 32.508 31.823 -0.091 0.000 0.980 90 V HN 0.373 8.595 8.190 0.055 0.000 0.481 91 H N 9.279 128.328 119.070 -0.034 0.000 3.094 91 H HA -0.042 4.372 4.556 -0.236 0.000 0.320 91 H C -0.484 174.812 175.328 -0.052 0.000 1.000 91 H CA 0.383 56.291 56.048 -0.234 0.000 1.413 91 H CB 1.549 30.987 29.762 -0.540 0.000 1.405 91 H HN -0.247 8.074 8.280 0.068 0.000 0.586 92 P HA -0.086 4.346 4.420 0.020 0.000 0.221 92 P C -0.426 176.920 177.300 0.078 0.000 1.145 92 P CA 1.377 64.456 63.100 -0.034 0.000 0.795 92 P CB 0.331 31.990 31.700 -0.068 0.000 0.775 93 S N -3.607 112.240 115.700 0.245 0.000 2.582 93 S HA 0.046 4.576 4.470 0.099 0.000 0.234 93 S C -0.574 174.132 174.600 0.176 0.000 0.961 93 S CA 0.017 58.339 58.200 0.203 0.000 0.953 93 S CB 0.442 63.759 63.200 0.195 0.000 0.800 93 S HN -0.414 8.119 8.310 0.441 0.042 0.471 94 Y N 3.700 124.047 120.300 0.079 0.000 2.620 94 Y HA -0.316 4.384 4.550 -0.048 -0.178 0.330 94 Y C -1.009 174.883 175.900 -0.015 0.000 1.186 94 Y CA 0.767 58.866 58.100 -0.002 0.000 1.467 94 Y CB 0.808 39.272 38.460 0.007 0.000 1.262 94 Y HN -0.679 7.636 8.280 0.341 0.170 0.550 95 N N 7.330 125.643 118.700 -0.645 0.000 2.479 95 N HA 0.222 4.672 4.740 -0.484 0.000 0.261 95 N C -0.211 174.759 175.510 -0.900 0.000 0.979 95 N CA -1.252 51.443 53.050 -0.591 0.000 0.930 95 N CB 1.798 40.112 38.487 -0.288 0.000 1.172 95 N HN -0.207 7.917 8.380 -0.427 0.000 0.499 96 S N 6.803 121.981 115.700 -0.870 0.000 2.515 96 S HA -0.095 4.000 4.470 -0.624 0.000 0.231 96 S C 0.716 175.136 174.600 -0.301 0.000 0.987 96 S CA 2.217 60.084 58.200 -0.555 0.000 0.936 96 S CB -0.140 62.913 63.200 -0.244 0.000 0.766 96 S HN 0.627 8.533 8.310 -0.674 0.000 0.528 97 N N 2.064 120.594 118.700 -0.283 0.000 2.336 97 N HA 0.037 4.656 4.740 -0.202 0.000 0.177 97 N C 1.153 176.503 175.510 -0.268 0.000 1.018 97 N CA 2.301 55.216 53.050 -0.225 0.000 0.878 97 N CB 0.617 38.999 38.487 -0.175 0.000 0.997 97 N HN 0.238 8.660 8.380 -0.310 -0.229 0.433 98 T N -3.998 110.393 114.554 -0.272 0.000 3.014 98 T HA 0.069 4.221 4.350 -0.330 0.000 0.250 98 T C 0.240 174.751 174.700 -0.314 0.000 1.060 98 T CA 0.432 62.363 62.100 -0.282 0.000 1.040 98 T CB 1.625 70.382 68.868 -0.185 0.000 0.971 98 T HN -0.315 8.066 8.240 -0.270 -0.303 0.497 99 L N -3.654 117.414 121.223 -0.258 0.000 4.291 99 L HA -0.510 3.932 4.340 0.039 -0.079 0.413 99 L C -1.809 175.084 176.870 0.040 0.000 1.162 99 L CA 0.438 55.229 54.840 -0.081 0.000 0.961 99 L CB -2.637 39.313 42.059 -0.182 0.000 2.095 99 L HN -0.118 7.932 8.230 -0.300 0.000 0.838 100 N N -1.045 117.636 118.700 -0.031 0.000 2.518 100 N HA -0.171 4.613 4.740 0.073 0.000 0.266 100 N C 0.097 175.648 175.510 0.068 0.000 1.196 100 N CA 0.734 53.801 53.050 0.028 0.000 0.947 100 N CB 1.144 39.621 38.487 -0.017 0.000 1.098 100 N HN -0.727 7.528 8.380 -0.124 0.050 0.450 101 N N -0.928 117.804 118.700 0.054 0.000 2.756 101 N HA -0.466 4.176 4.740 -0.163 0.000 0.248 101 N C -1.439 174.038 175.510 -0.056 0.000 1.062 101 N CA 1.395 54.373 53.050 -0.120 0.000 0.696 101 N CB -1.523 36.785 38.487 -0.298 0.000 0.946 101 N HN 0.611 9.049 8.380 0.096 0.000 0.548 102 D N -1.116 119.298 120.400 0.023 0.000 2.608 102 D HA 0.051 4.685 4.640 -0.010 0.000 0.224 102 D C -1.653 174.558 176.300 -0.148 0.000 1.123 102 D CA -0.339 53.676 54.000 0.024 0.000 1.030 102 D CB -0.722 40.190 40.800 0.186 0.000 1.093 102 D HN -0.120 8.279 8.370 0.048 0.000 0.497 103 I N 1.899 122.317 120.570 -0.254 0.000 2.802 103 I HA 0.602 4.862 4.170 -0.126 -0.166 0.298 103 I C -3.075 172.998 176.117 -0.073 0.000 1.176 103 I CA -1.622 59.557 61.300 -0.201 0.000 1.025 103 I CB 4.153 41.895 38.000 -0.431 0.000 1.243 103 I HN -0.088 7.920 8.210 -0.272 0.038 0.424 104 M N 6.366 125.994 119.600 0.047 0.000 2.421 104 M HA 0.672 5.455 4.480 0.225 -0.168 0.287 104 M C -2.789 173.641 176.300 0.216 0.000 1.183 104 M CA -1.013 54.377 55.300 0.150 0.000 0.916 104 M CB 4.801 37.448 32.600 0.077 0.000 1.701 104 M HN 0.540 8.774 8.290 0.041 0.080 0.470 105 L N 3.400 124.793 121.223 0.283 0.000 2.325 105 L HA 0.857 5.535 4.340 0.269 -0.176 0.278 105 L C -1.251 175.812 176.870 0.322 0.000 1.023 105 L CA -1.498 53.525 54.840 0.306 0.000 0.811 105 L CB 3.034 45.261 42.059 0.279 0.000 1.249 105 L HN 0.388 8.809 8.230 0.318 0.000 0.431 106 I N 1.073 121.812 120.570 0.282 0.000 2.436 106 I HA 0.521 4.910 4.170 0.099 -0.160 0.289 106 I C -1.595 174.472 176.117 -0.082 0.000 1.010 106 I CA -1.325 60.038 61.300 0.105 0.000 1.098 106 I CB 3.039 41.069 38.000 0.051 0.000 1.266 106 I HN 0.863 9.259 8.210 0.311 0.000 0.434 107 K N 6.764 126.926 120.400 -0.397 0.000 2.183 107 K HA 0.613 4.275 4.320 -1.355 -0.156 0.274 107 K C -1.111 175.201 176.600 -0.479 0.000 1.009 107 K CA -1.754 53.953 56.287 -0.965 0.000 0.888 107 K CB 2.858 34.638 32.500 -1.200 0.000 1.078 107 K HN 0.674 8.778 8.250 -0.244 0.000 0.459 108 L N 5.193 126.164 121.223 -0.421 0.000 2.375 108 L HA 0.191 4.540 4.340 -0.171 -0.112 0.271 108 L C 1.387 178.140 176.870 -0.196 0.000 1.107 108 L CA -0.049 54.657 54.840 -0.223 0.000 0.806 108 L CB 0.340 42.309 42.059 -0.150 0.000 1.146 108 L HN 0.783 8.582 8.230 -0.544 0.104 0.447 109 K N 3.018 123.342 120.400 -0.126 0.000 2.063 109 K HA -0.336 3.922 4.320 -0.104 0.000 0.208 109 K C -0.452 176.099 176.600 -0.081 0.000 1.048 109 K CA 2.645 58.875 56.287 -0.094 0.000 0.928 109 K CB 0.394 32.857 32.500 -0.061 0.000 0.713 109 K HN 0.625 8.812 8.250 -0.105 0.000 0.442 110 S N -3.117 112.542 115.700 -0.068 0.000 2.634 110 S HA 0.093 4.533 4.470 -0.049 0.000 0.296 110 S C -1.904 172.667 174.600 -0.049 0.000 1.104 110 S CA -0.966 57.204 58.200 -0.049 0.000 0.920 110 S CB 2.883 66.066 63.200 -0.029 0.000 1.111 110 S HN -0.374 7.897 8.310 -0.065 0.000 0.493 111 A N -0.204 122.596 122.820 -0.033 0.000 2.340 111 A HA 0.079 4.518 4.320 -0.033 -0.138 0.268 111 A C -0.513 177.068 177.584 -0.005 0.000 1.100 111 A CA -0.191 51.834 52.037 -0.019 0.000 0.803 111 A CB 0.855 19.854 19.000 -0.002 0.000 1.043 111 A HN 0.114 8.249 8.150 -0.026 0.000 0.488 112 A N 1.124 123.947 122.820 0.006 0.000 2.287 112 A HA 0.199 4.582 4.320 0.011 -0.056 0.273 112 A C -0.769 176.826 177.584 0.020 0.000 1.091 112 A CA -1.227 50.819 52.037 0.016 0.000 0.817 112 A CB 1.296 20.314 19.000 0.030 0.000 1.069 112 A HN 0.307 8.359 8.150 0.009 0.104 0.492 113 S N -0.519 115.191 115.700 0.017 0.000 2.430 113 S HA 0.045 4.525 4.470 0.017 0.000 0.289 113 S C -0.650 173.965 174.600 0.025 0.000 1.143 113 S CA -0.887 57.322 58.200 0.016 0.000 1.067 113 S CB -0.072 63.132 63.200 0.007 0.000 0.964 113 S HN -0.129 8.502 8.310 0.016 -0.311 0.485 114 L N 7.178 128.419 121.223 0.030 0.000 2.375 114 L HA 0.228 4.728 4.340 0.042 -0.135 0.271 114 L C -0.449 176.440 176.870 0.031 0.000 1.107 114 L CA -0.243 54.620 54.840 0.038 0.000 0.806 114 L CB 0.748 42.833 42.059 0.044 0.000 1.146 114 L HN 0.241 8.488 8.230 0.028 0.000 0.447 115 N N 2.907 121.627 118.700 0.033 0.000 3.588 115 N HA 0.148 4.903 4.740 0.025 0.000 0.340 115 N C -1.336 174.193 175.510 0.032 0.000 1.609 115 N CA -0.610 52.457 53.050 0.027 0.000 0.811 115 N CB 1.064 39.563 38.487 0.020 0.000 2.184 115 N HN 0.467 8.761 8.380 0.040 0.109 0.577 116 S N -2.785 112.931 115.700 0.027 0.000 2.461 116 S HA -0.132 4.359 4.470 0.035 0.000 0.228 116 S C 0.594 175.211 174.600 0.029 0.000 1.005 116 S CA 2.208 60.425 58.200 0.029 0.000 0.942 116 S CB 0.140 63.354 63.200 0.023 0.000 0.776 116 S HN -0.007 8.316 8.310 0.022 0.000 0.514 117 R N -0.931 119.584 120.500 0.025 0.000 2.223 117 R HA 0.149 4.498 4.340 0.015 0.000 0.198 117 R C -1.097 175.220 176.300 0.028 0.000 0.984 117 R CA 0.070 56.183 56.100 0.022 0.000 1.018 117 R CB 0.980 31.292 30.300 0.020 0.000 0.945 117 R HN -0.081 8.446 8.270 0.024 -0.243 0.479 118 V N -1.674 118.263 119.914 0.039 0.000 2.419 118 V HA 0.244 4.585 4.120 0.053 -0.190 0.287 118 V C -2.163 173.971 176.094 0.067 0.000 1.017 118 V CA -0.968 61.364 62.300 0.053 0.000 0.844 118 V CB 2.246 34.099 31.823 0.049 0.000 1.011 118 V HN -0.388 8.036 8.190 0.037 -0.212 0.429 119 A N 6.818 129.694 122.820 0.094 0.000 2.556 119 A HA 0.609 4.982 4.320 0.088 0.000 0.294 119 A C -2.966 174.713 177.584 0.159 0.000 1.091 119 A CA -1.556 50.548 52.037 0.112 0.000 0.704 119 A CB 2.914 21.981 19.000 0.112 0.000 1.300 119 A HN 0.052 8.142 8.150 0.101 0.121 0.406 120 S N -1.495 114.281 115.700 0.127 0.000 2.693 120 S HA 0.594 5.309 4.470 0.165 -0.146 0.276 120 S C -0.621 174.030 174.600 0.085 0.000 1.192 120 S CA -1.066 57.208 58.200 0.124 0.000 0.994 120 S CB 1.669 64.922 63.200 0.088 0.000 1.012 120 S HN -0.013 8.356 8.310 0.098 0.000 0.550 121 I N 0.395 120.966 120.570 0.002 0.000 2.648 121 I HA 0.231 4.328 4.170 -0.122 0.000 0.304 121 I C -1.111 174.953 176.117 -0.089 0.000 1.009 121 I CA -1.625 59.581 61.300 -0.158 0.000 1.114 121 I CB 4.091 41.760 38.000 -0.552 0.000 1.293 121 I HN 0.167 8.393 8.210 0.026 0.000 0.449 122 S N 6.059 121.706 115.700 -0.087 0.000 2.584 122 S HA 0.210 4.664 4.470 -0.028 0.000 0.273 122 S C -0.654 173.917 174.600 -0.047 0.000 1.311 122 S CA -0.101 58.070 58.200 -0.049 0.000 1.034 122 S CB 0.749 63.926 63.200 -0.039 0.000 0.939 122 S HN 0.226 8.471 8.310 -0.108 0.000 0.513 123 L N 3.218 124.428 121.223 -0.022 0.000 2.418 123 L HA 0.081 4.420 4.340 -0.002 0.000 0.265 123 L C -1.489 175.377 176.870 -0.006 0.000 1.143 123 L CA -2.078 52.760 54.840 -0.004 0.000 0.809 123 L CB -0.106 41.960 42.059 0.011 0.000 1.124 123 L HN 0.172 8.392 8.230 -0.016 0.000 0.456 124 P HA 0.152 4.562 4.420 -0.017 0.000 0.279 124 P C -1.213 176.086 177.300 -0.001 0.000 1.252 124 P CA -0.839 62.258 63.100 -0.006 0.000 0.811 124 P CB 0.829 32.524 31.700 -0.007 0.000 1.035 128 c N 0.963 119.538 118.600 -0.041 0.000 2.657 128 c HA 0.026 4.559 4.570 -0.062 0.000 0.404 128 c C 0.272 174.305 174.090 -0.095 0.000 1.291 128 c CA -0.608 55.682 56.329 -0.065 0.000 2.218 128 c CB 0.196 42.672 42.510 -0.057 0.000 2.687 128 c HN -0.015 8.194 8.230 -0.035 0.000 0.634 129 A N 2.073 124.803 122.820 -0.150 0.000 2.302 129 A HA 0.031 4.278 4.320 -0.120 0.000 0.285 129 A C -0.620 176.863 177.584 -0.168 0.000 1.105 129 A CA -0.175 51.762 52.037 -0.166 0.000 0.816 129 A CB 0.932 19.795 19.000 -0.228 0.000 1.067 129 A HN 0.199 8.238 8.150 -0.186 0.000 0.489 133 G N 0.876 109.635 108.800 -0.069 0.000 2.241 133 G HA2 -0.343 3.584 3.960 -0.055 0.000 0.244 133 G HA3 -0.343 3.589 3.960 -0.046 0.000 0.244 133 G C -0.207 174.654 174.900 -0.065 0.000 0.998 133 G CA 0.008 45.073 45.100 -0.058 0.000 0.621 133 G HN 0.688 8.827 8.290 -0.073 0.107 0.519 134 T N 3.360 117.863 114.554 -0.086 0.000 2.902 134 T HA -0.200 4.111 4.350 -0.064 0.000 0.301 134 T C -1.021 173.630 174.700 -0.081 0.000 1.012 134 T CA 2.493 64.542 62.100 -0.085 0.000 1.151 134 T CB 0.687 69.485 68.868 -0.116 0.000 0.946 134 T HN -0.508 7.590 8.240 -0.100 0.082 0.542 135 Q N 6.086 125.853 119.800 -0.054 0.000 2.267 135 Q HA 0.183 4.616 4.340 -0.045 -0.120 0.255 135 Q C -0.772 175.208 176.000 -0.034 0.000 0.923 135 Q CA 0.399 56.181 55.803 -0.035 0.000 0.925 135 Q CB 1.240 29.974 28.738 -0.007 0.000 1.195 135 Q HN 0.192 8.435 8.270 -0.045 0.000 0.417 136 c N 3.505 122.085 118.600 -0.032 0.000 2.913 136 c HA 0.626 5.300 4.570 -0.019 -0.115 0.322 136 c C -1.848 172.246 174.090 0.007 0.000 1.292 136 c CA -1.553 54.761 56.329 -0.025 0.000 1.649 136 c CB 4.258 46.733 42.510 -0.060 0.000 2.139 136 c HN 0.818 9.027 8.230 -0.035 0.000 0.475 137 L N 0.700 121.937 121.223 0.024 0.000 2.313 137 L HA 0.820 5.357 4.340 0.056 -0.163 0.283 137 L C -2.222 174.665 176.870 0.028 0.000 1.013 137 L CA -1.338 53.531 54.840 0.048 0.000 0.816 137 L CB 3.139 45.249 42.059 0.084 0.000 1.236 137 L HN 0.606 8.738 8.230 0.019 0.110 0.419 138 I N 7.153 127.725 120.570 0.003 0.000 2.474 138 I HA 0.899 5.318 4.170 0.020 -0.236 0.294 138 I C -1.294 174.795 176.117 -0.047 0.000 1.005 138 I CA -1.578 59.721 61.300 -0.002 0.000 1.113 138 I CB 2.757 40.758 38.000 0.002 0.000 1.289 138 I HN 0.857 9.070 8.210 0.005 0.000 0.436 139 S N 2.207 117.873 115.700 -0.057 0.000 2.618 139 S HA 1.009 5.501 4.470 -0.219 -0.153 0.277 139 S C -1.183 173.298 174.600 -0.198 0.000 1.138 139 S CA -1.747 56.343 58.200 -0.183 0.000 0.844 139 S CB 3.763 66.811 63.200 -0.253 0.000 1.127 139 S HN -0.198 8.111 8.310 -0.002 0.000 0.474 140 G N -1.460 107.124 108.800 -0.361 0.000 2.321 140 G HA2 0.144 3.833 3.960 -0.452 0.000 0.298 140 G HA3 0.144 4.199 3.960 -0.078 -0.142 0.298 140 G C -2.329 172.320 174.900 -0.418 0.000 1.385 140 G CA 0.573 45.474 45.100 -0.331 0.000 0.856 140 G HN 0.333 8.352 8.290 -0.451 0.000 0.584 141 W N 1.179 122.423 121.300 -0.093 0.000 3.015 141 W HA 0.387 4.989 4.660 -0.096 0.000 0.429 141 W C -0.199 176.339 176.519 0.032 0.000 0.976 141 W CA -1.005 56.249 57.345 -0.152 0.000 2.086 141 W CB 0.059 29.221 29.460 -0.496 0.000 1.125 141 W HN 0.582 8.897 8.180 0.226 0.000 0.721 142 G N 0.738 109.691 108.800 0.255 0.000 2.616 142 G HA2 -0.049 4.252 3.960 0.508 0.000 0.268 142 G HA3 -0.049 4.158 3.960 0.251 -0.096 0.268 142 G C -0.949 174.034 174.900 0.138 0.000 1.213 142 G CA -0.830 44.455 45.100 0.308 0.000 0.926 142 G HN -0.489 8.006 8.290 0.142 -0.119 0.523 143 N N -0.072 118.616 118.700 -0.020 0.000 2.293 143 N HA -0.311 4.170 4.740 -0.747 -0.189 0.253 143 N C 0.845 176.262 175.510 -0.154 0.000 1.248 143 N CA 1.182 54.005 53.050 -0.379 0.000 0.845 143 N CB 0.605 38.866 38.487 -0.376 0.000 1.073 143 N HN 0.225 8.700 8.380 0.159 0.000 0.464 144 T N 0.541 114.999 114.554 -0.160 0.000 3.092 144 T HA 0.189 4.637 4.350 -0.052 -0.129 0.258 144 T C 0.178 174.839 174.700 -0.066 0.000 1.031 144 T CA 0.317 62.370 62.100 -0.077 0.000 0.925 144 T CB 1.165 70.000 68.868 -0.054 0.000 1.036 144 T HN 0.246 8.349 8.240 -0.228 0.000 0.544 145 K N 2.089 122.436 120.400 -0.088 0.000 2.259 145 K HA 0.307 4.606 4.320 -0.036 0.000 0.249 145 K C -0.365 176.213 176.600 -0.037 0.000 0.942 145 K CA -1.120 55.135 56.287 -0.054 0.000 0.816 145 K CB 2.919 35.384 32.500 -0.058 0.000 1.155 145 K HN -0.612 7.784 8.250 -0.137 -0.228 0.428 146 S N 0.136 115.828 115.700 -0.014 0.000 2.439 146 S HA -0.053 4.422 4.470 0.007 0.000 0.224 146 S C -0.127 174.476 174.600 0.005 0.000 1.029 146 S CA 1.604 59.806 58.200 0.003 0.000 0.946 146 S CB 0.973 64.180 63.200 0.012 0.000 0.797 146 S HN 0.113 8.416 8.310 -0.012 0.000 0.504 147 S N 1.911 117.610 115.700 -0.001 0.000 2.328 147 S HA 0.187 4.663 4.470 0.009 0.000 0.204 147 S C -0.756 173.842 174.600 -0.003 0.000 1.475 147 S CA -0.133 58.069 58.200 0.003 0.000 1.148 147 S CB -0.490 62.713 63.200 0.005 0.000 1.077 147 S HN -0.468 7.839 8.310 -0.005 0.000 0.479 148 G N 1.670 110.467 108.800 -0.005 0.000 2.354 148 G HA2 -0.176 3.786 3.960 0.005 0.000 0.582 148 G HA3 -0.176 3.778 3.960 -0.010 0.000 0.582 148 G C -2.797 172.081 174.900 -0.036 0.000 1.316 148 G CA -0.641 44.453 45.100 -0.009 0.000 0.995 148 G HN -0.406 7.883 8.290 -0.001 0.000 0.573 149 T N -3.776 110.753 114.554 -0.041 0.000 2.840 149 T HA 0.158 4.586 4.350 -0.226 -0.214 0.287 149 T C -1.326 173.285 174.700 -0.148 0.000 0.991 149 T CA -1.509 60.515 62.100 -0.126 0.000 0.964 149 T CB 2.277 71.155 68.868 0.017 0.000 0.954 149 T HN -0.163 8.071 8.240 -0.011 0.000 0.438 150 S N 4.719 120.253 115.700 -0.277 0.000 2.707 150 S HA 0.256 4.706 4.470 -0.033 0.000 0.303 150 S C -2.105 172.334 174.600 -0.268 0.000 1.132 150 S CA -0.807 57.309 58.200 -0.140 0.000 1.046 150 S CB 1.356 64.509 63.200 -0.079 0.000 1.004 150 S HN 0.820 9.304 8.310 -0.403 -0.415 0.483 151 Y N 5.772 126.108 120.300 0.059 0.000 2.341 151 Y HA 0.216 4.817 4.550 0.085 0.000 0.337 151 Y C -0.927 175.018 175.900 0.075 0.000 1.014 151 Y CA -2.734 55.413 58.100 0.078 0.000 1.111 151 Y CB 1.207 39.721 38.460 0.090 0.000 1.194 151 Y HN 0.154 8.549 8.280 0.192 0.000 0.462 152 P HA 0.260 4.755 4.420 0.124 0.000 0.278 152 P C -1.549 175.876 177.300 0.208 0.000 1.258 152 P CA -1.066 62.133 63.100 0.166 0.000 0.811 152 P CB 1.850 33.621 31.700 0.118 0.000 1.063 153 D N -2.442 118.056 120.400 0.164 0.000 2.262 153 D HA -0.032 4.666 4.640 0.098 0.000 0.212 153 D C -0.624 175.818 176.300 0.238 0.000 0.964 153 D CA 1.792 55.875 54.000 0.138 0.000 0.875 153 D CB 0.834 41.687 40.800 0.089 0.000 0.996 153 D HN 0.402 8.850 8.370 0.131 0.000 0.497 154 V N -7.830 112.228 119.914 0.240 0.000 2.966 154 V HA 0.567 5.190 4.120 0.423 -0.249 0.317 154 V C -0.799 175.369 176.094 0.124 0.000 1.070 154 V CA -2.736 59.724 62.300 0.267 0.000 1.008 154 V CB 1.990 33.884 31.823 0.119 0.000 1.070 154 V HN -0.917 7.372 8.190 0.165 0.000 0.457 155 L N 1.729 122.898 121.223 -0.091 0.000 2.455 155 L HA -0.035 3.533 4.340 -1.287 0.000 0.272 155 L C -0.250 176.371 176.870 -0.415 0.000 1.174 155 L CA 0.730 55.166 54.840 -0.673 0.000 0.869 155 L CB 0.748 42.382 42.059 -0.708 0.000 1.130 155 L HN -0.095 8.367 8.230 0.101 -0.171 0.474 156 K N 5.385 125.509 120.400 -0.460 0.000 2.203 156 K HA 0.655 4.930 4.320 -0.337 -0.158 0.251 156 K C -1.214 175.126 176.600 -0.432 0.000 0.944 156 K CA -2.583 53.488 56.287 -0.359 0.000 0.829 156 K CB 2.502 34.858 32.500 -0.238 0.000 1.125 156 K HN -0.151 7.742 8.250 -0.595 0.000 0.430 157 c N -0.238 118.003 118.600 -0.598 0.000 2.614 157 c HA 0.975 5.483 4.570 -0.401 -0.179 0.320 157 c C -1.790 171.945 174.090 -0.592 0.000 1.200 157 c CA -0.793 55.137 56.329 -0.665 0.000 1.700 157 c CB 3.589 45.535 42.510 -0.941 0.000 2.275 157 c HN 0.786 8.587 8.230 -0.715 0.000 0.492 158 L N 0.283 121.372 121.223 -0.223 0.000 2.493 158 L HA 0.388 4.793 4.340 0.109 0.000 0.265 158 L C -2.442 174.503 176.870 0.126 0.000 0.954 158 L CA 0.071 54.926 54.840 0.025 0.000 0.844 158 L CB 4.379 46.466 42.059 0.048 0.000 1.302 158 L HN 0.649 8.779 8.230 -0.168 0.000 0.405 159 K N 6.156 126.693 120.400 0.228 0.000 2.183 159 K HA 0.816 5.411 4.320 0.127 -0.199 0.274 159 K C -0.956 175.772 176.600 0.213 0.000 1.009 159 K CA -1.368 55.028 56.287 0.183 0.000 0.888 159 K CB 1.260 33.869 32.500 0.182 0.000 1.078 159 K HN 0.325 8.749 8.250 0.289 0.000 0.459 160 A N 3.935 126.814 122.820 0.099 0.000 2.572 160 A HA 0.713 5.034 4.320 0.002 0.000 0.295 160 A C -3.447 174.061 177.584 -0.126 0.000 1.072 160 A CA -2.642 49.381 52.037 -0.023 0.000 0.691 160 A CB 3.101 22.080 19.000 -0.035 0.000 1.291 160 A HN 0.755 8.933 8.150 0.047 0.000 0.404 161 P HA 0.791 5.344 4.420 -0.110 -0.199 0.285 161 P C -1.150 176.071 177.300 -0.130 0.000 1.269 161 P CA -1.738 61.269 63.100 -0.156 0.000 0.844 161 P CB 1.845 33.457 31.700 -0.146 0.000 1.094 162 I N -0.285 120.224 120.570 -0.103 0.000 2.529 162 I HA 0.002 4.324 4.170 0.050 -0.122 0.284 162 I C 0.154 176.250 176.117 -0.035 0.000 1.082 162 I CA 0.441 61.705 61.300 -0.061 0.000 1.406 162 I CB 0.324 38.191 38.000 -0.221 0.000 1.405 162 I HN -0.042 8.099 8.210 -0.116 0.000 0.548 163 L N 6.443 127.685 121.223 0.032 0.000 2.431 163 L HA 0.289 4.619 4.340 -0.017 0.000 0.260 163 L C -0.184 176.702 176.870 0.027 0.000 1.098 163 L CA -1.112 53.738 54.840 0.016 0.000 0.800 163 L CB 0.678 42.757 42.059 0.034 0.000 1.210 163 L HN 0.486 8.672 8.230 0.114 0.112 0.465 164 S N -1.548 114.162 115.700 0.016 0.000 2.593 164 S HA -0.046 4.429 4.470 0.008 0.000 0.269 164 S C 0.443 175.068 174.600 0.042 0.000 1.334 164 S CA -1.023 57.188 58.200 0.018 0.000 1.015 164 S CB 1.702 64.907 63.200 0.009 0.000 0.912 164 S HN 0.094 8.409 8.310 0.009 0.000 0.541 165 D N 2.126 122.552 120.400 0.043 0.000 2.144 165 D HA -0.221 4.469 4.640 0.084 0.000 0.199 165 D C 1.823 178.156 176.300 0.054 0.000 0.984 165 D CA 3.457 57.493 54.000 0.061 0.000 0.834 165 D CB -0.089 40.742 40.800 0.051 0.000 0.955 165 D HN 0.604 8.992 8.370 0.029 0.000 0.465 166 S N -0.702 115.021 115.700 0.037 0.000 2.368 166 S HA -0.320 4.171 4.470 0.035 0.000 0.225 166 S C 2.114 176.734 174.600 0.032 0.000 1.030 166 S CA 3.605 61.825 58.200 0.032 0.000 0.999 166 S CB -0.110 63.102 63.200 0.021 0.000 0.844 166 S HN 0.007 8.330 8.310 0.030 0.005 0.459 167 S N 2.990 118.708 115.700 0.029 0.000 2.383 167 S HA -0.247 4.230 4.470 0.011 0.000 0.227 167 S C 1.842 176.463 174.600 0.035 0.000 1.026 167 S CA 3.909 62.122 58.200 0.022 0.000 0.981 167 S CB -0.176 63.033 63.200 0.016 0.000 0.818 167 S HN -0.522 7.804 8.310 0.028 0.000 0.472 168 c N 3.459 122.099 118.600 0.067 0.000 2.436 168 c HA -0.308 4.336 4.570 0.123 0.000 0.277 168 c C 1.663 175.836 174.090 0.139 0.000 1.241 168 c CA 2.668 59.066 56.329 0.116 0.000 1.721 168 c CB -1.675 40.912 42.510 0.129 0.000 2.043 168 c HN -0.125 8.144 8.230 0.064 0.000 0.472 169 K N -1.472 118.994 120.400 0.110 0.000 2.283 169 K HA -0.302 4.114 4.320 0.160 0.000 0.202 169 K C 2.205 178.852 176.600 0.079 0.000 1.048 169 K CA 2.908 59.262 56.287 0.113 0.000 0.948 169 K CB -0.321 32.230 32.500 0.085 0.000 0.742 169 K HN 0.215 8.519 8.250 0.091 0.000 0.458 170 S N -1.247 114.479 115.700 0.043 0.000 2.414 170 S HA -0.153 4.328 4.470 0.018 0.000 0.227 170 S C 1.284 175.865 174.600 -0.032 0.000 1.022 170 S CA 2.320 60.526 58.200 0.010 0.000 0.958 170 S CB -0.187 63.013 63.200 0.001 0.000 0.797 170 S HN -0.487 7.721 8.310 0.044 0.129 0.493 171 A N 0.106 122.881 122.820 -0.074 0.000 1.930 171 A HA -0.082 4.093 4.320 -0.241 0.000 0.215 171 A C -0.163 177.169 177.584 -0.419 0.000 1.176 171 A CA 1.964 53.831 52.037 -0.282 0.000 0.632 171 A CB 0.840 19.606 19.000 -0.389 0.000 0.819 171 A HN -0.607 7.405 8.150 -0.021 0.125 0.445 172 Y N -5.407 114.931 120.300 0.063 0.000 2.495 172 Y HA 0.473 5.095 4.550 0.119 0.000 0.362 172 Y C -2.484 173.477 175.900 0.102 0.000 0.956 172 Y CA -3.453 54.717 58.100 0.116 0.000 1.127 172 Y CB -0.346 38.228 38.460 0.191 0.000 1.173 172 Y HN -0.539 7.802 8.280 0.101 0.000 0.639 173 P HA -0.107 4.505 4.420 0.111 -0.125 0.265 173 P C 0.884 178.254 177.300 0.116 0.000 1.193 173 P CA 0.994 64.162 63.100 0.114 0.000 0.765 173 P CB 0.182 31.921 31.700 0.065 0.000 0.823 174 G N 3.391 112.248 108.800 0.095 0.000 2.168 174 G HA2 -0.378 3.616 3.960 0.057 0.000 0.257 174 G HA3 -0.378 3.614 3.960 0.053 0.000 0.257 174 G C -0.036 174.911 174.900 0.079 0.000 0.997 174 G CA 0.814 45.956 45.100 0.069 0.000 0.708 174 G HN 0.516 8.861 8.290 0.092 0.000 0.520 175 Q N -3.011 116.872 119.800 0.137 0.000 2.164 175 Q HA 0.105 4.469 4.340 0.040 0.000 0.226 175 Q C -0.754 175.364 176.000 0.198 0.000 0.813 175 Q CA -0.564 55.317 55.803 0.130 0.000 0.978 175 Q CB 1.783 30.625 28.738 0.175 0.000 1.149 175 Q HN -0.385 7.949 8.270 0.181 0.044 0.489 176 I N 0.415 121.101 120.570 0.193 0.000 2.321 176 I HA 0.076 4.383 4.170 0.228 0.000 0.291 176 I C -0.176 176.014 176.117 0.122 0.000 0.998 176 I CA -2.143 59.266 61.300 0.181 0.000 1.227 176 I CB -0.590 37.511 38.000 0.168 0.000 1.368 176 I HN -0.404 7.910 8.210 0.173 0.000 0.466 177 T N 2.525 117.146 114.554 0.113 0.000 2.910 177 T HA 0.345 4.733 4.350 0.063 0.000 0.279 177 T C 0.743 175.491 174.700 0.079 0.000 0.989 177 T CA -2.122 60.025 62.100 0.077 0.000 0.968 177 T CB 2.437 71.342 68.868 0.062 0.000 1.135 177 T HN -0.368 7.955 8.240 0.138 0.000 0.562 178 S N -2.052 113.681 115.700 0.055 0.000 2.555 178 S HA -0.150 4.358 4.470 0.063 0.000 0.230 178 S C 0.193 174.831 174.600 0.063 0.000 0.978 178 S CA 1.837 60.067 58.200 0.050 0.000 0.934 178 S CB -0.188 63.023 63.200 0.018 0.000 0.766 178 S HN 0.251 8.584 8.310 0.039 0.000 0.533 179 N N -0.256 118.492 118.700 0.081 0.000 2.276 179 N HA 0.176 4.974 4.740 0.096 0.000 0.212 179 N C -1.711 173.912 175.510 0.189 0.000 1.127 179 N CA -0.100 53.028 53.050 0.130 0.000 0.834 179 N CB 0.746 39.335 38.487 0.171 0.000 1.014 179 N HN -0.646 7.709 8.380 0.079 0.072 0.491 180 M N -1.089 118.609 119.600 0.162 0.000 2.619 180 M HA 0.855 5.601 4.480 0.077 -0.220 0.297 180 M C -2.369 174.040 176.300 0.182 0.000 1.229 180 M CA -0.386 54.985 55.300 0.118 0.000 0.860 180 M CB 5.212 37.863 32.600 0.085 0.000 1.741 180 M HN -0.748 7.531 8.290 0.143 0.097 0.462 181 F N -6.016 113.978 119.950 0.072 0.000 2.645 181 F HA 0.610 5.166 4.527 0.047 0.000 0.310 181 F C -2.761 173.087 175.800 0.081 0.000 1.102 181 F CA -1.696 56.341 58.000 0.062 0.000 0.952 181 F CB 2.433 41.466 39.000 0.055 0.000 1.326 181 F HN 0.146 8.279 8.300 -0.277 0.000 0.456 182 c N 0.147 118.913 118.600 0.277 0.000 2.366 182 c HA 0.971 5.775 4.570 0.075 -0.189 0.345 182 c C -0.994 173.290 174.090 0.324 0.000 1.209 182 c CA -0.803 55.639 56.329 0.188 0.000 2.050 182 c CB 2.572 45.160 42.510 0.129 0.000 2.359 182 c HN 0.844 9.270 8.230 0.327 0.000 0.527 183 A N 3.012 125.995 122.820 0.272 0.000 2.476 183 A HA 0.688 5.203 4.320 0.075 -0.150 0.280 183 A C -2.291 175.329 177.584 0.060 0.000 1.081 183 A CA -0.413 51.696 52.037 0.119 0.000 0.753 183 A CB 2.635 21.613 19.000 -0.035 0.000 1.248 183 A HN 0.341 8.683 8.150 0.321 0.000 0.424 184 Y N 2.744 123.077 120.300 0.055 0.000 2.350 184 Y HA 0.079 4.650 4.550 0.034 0.000 0.340 184 Y C 0.932 176.849 175.900 0.029 0.000 1.006 184 Y CA -0.142 57.981 58.100 0.037 0.000 1.166 184 Y CB 0.695 39.175 38.460 0.033 0.000 1.168 184 Y HN 0.346 8.749 8.280 0.204 0.000 0.502 185 L N 4.009 125.306 121.223 0.123 0.000 2.376 185 L HA -0.285 4.088 4.340 0.054 0.000 0.219 185 L C 1.017 177.933 176.870 0.077 0.000 1.133 185 L CA 2.094 56.976 54.840 0.071 0.000 0.816 185 L CB -0.370 41.710 42.059 0.035 0.000 0.933 185 L HN 0.528 8.817 8.230 0.099 0.000 0.449 186 E N -2.054 118.210 120.200 0.107 0.000 2.478 186 E HA -0.122 4.257 4.350 0.047 0.000 0.198 186 E C 0.762 177.398 176.600 0.059 0.000 1.046 186 E CA 0.159 56.600 56.400 0.069 0.000 0.870 186 E CB -0.625 29.111 29.700 0.060 0.000 0.818 186 E HN 0.084 8.499 8.360 0.158 0.039 0.527 187 G N 0.797 109.648 108.800 0.086 0.000 3.313 187 G HA2 -0.394 3.747 3.960 0.082 0.000 0.563 187 G HA3 -0.394 3.592 3.960 0.044 0.000 0.563 187 G C -0.850 174.076 174.900 0.042 0.000 1.037 187 G CA -0.108 45.031 45.100 0.065 0.000 0.848 187 G HN -0.546 7.649 8.290 0.129 0.172 0.416 188 K N 1.181 121.595 120.400 0.023 0.000 7.219 188 K HA -0.607 3.976 4.320 0.030 -0.246 0.683 188 K C -1.358 175.346 176.600 0.173 0.000 2.548 188 K CA 0.509 56.830 56.287 0.056 0.000 1.868 188 K CB -0.042 32.417 32.500 -0.067 0.000 1.932 188 K HN 0.211 8.503 8.250 0.070 0.000 0.297 189 D N 0.548 121.030 120.400 0.136 0.000 2.725 189 D HA 0.316 5.074 4.640 0.198 0.000 0.292 189 D C -1.858 174.513 176.300 0.119 0.000 1.288 189 D CA -0.635 53.454 54.000 0.149 0.000 0.784 189 D CB 4.459 45.329 40.800 0.117 0.000 1.308 189 D HN 0.144 8.570 8.370 0.094 0.000 0.429 190 S N -1.473 114.309 115.700 0.138 0.000 2.707 190 S HA 0.296 4.823 4.470 0.094 0.000 0.276 190 S C -1.353 173.296 174.600 0.081 0.000 1.179 190 S CA -0.409 57.862 58.200 0.118 0.000 0.992 190 S CB 1.631 64.940 63.200 0.182 0.000 1.030 190 S HN 0.267 8.676 8.310 0.166 0.000 0.554 191 c N -1.533 117.118 118.600 0.085 0.000 3.293 191 c HA 0.255 4.869 4.570 0.074 0.000 0.362 191 c C -1.634 172.534 174.090 0.131 0.000 1.539 191 c CA -0.582 55.797 56.329 0.084 0.000 1.201 191 c CB 3.033 45.573 42.510 0.050 0.000 1.770 191 c HN 0.299 8.891 8.230 0.099 -0.302 0.440 192 Q N 2.089 121.978 119.800 0.148 0.000 2.269 192 Q HA -0.299 4.171 4.340 0.216 0.000 0.300 192 Q C 0.558 176.753 176.000 0.326 0.000 1.070 192 Q CA 2.097 58.034 55.803 0.224 0.000 0.957 192 Q CB 0.232 29.100 28.738 0.216 0.000 1.131 192 Q HN 0.553 8.891 8.270 0.114 0.000 0.377 193 G N 6.879 115.876 108.800 0.329 0.000 2.218 193 G HA2 -0.389 3.781 3.960 0.350 0.000 0.216 193 G HA3 -0.389 3.892 3.960 0.536 0.000 0.216 193 G C 0.423 175.559 174.900 0.394 0.000 0.994 193 G CA 0.853 46.200 45.100 0.412 0.000 0.637 193 G HN 0.822 9.280 8.290 0.280 0.000 0.505 194 D N 1.057 121.621 120.400 0.273 0.000 2.346 194 D HA 0.123 4.908 4.640 0.241 0.000 0.206 194 D C 0.135 176.539 176.300 0.173 0.000 1.001 194 D CA 0.875 55.002 54.000 0.212 0.000 0.871 194 D CB 0.736 41.626 40.800 0.150 0.000 0.943 194 D HN 0.126 8.560 8.370 0.245 0.083 0.518 195 S N -0.619 115.182 115.700 0.168 0.000 2.561 195 S HA -0.554 4.141 4.470 0.137 -0.143 0.294 195 S C 1.032 175.651 174.600 0.031 0.000 1.294 195 S CA 2.711 60.986 58.200 0.125 0.000 1.055 195 S CB 0.168 63.476 63.200 0.181 0.000 0.819 195 S HN -0.364 8.066 8.310 0.200 0.000 0.503 196 G N 4.236 113.040 108.800 0.007 0.000 2.253 196 G HA2 -0.464 3.551 3.960 -0.025 0.000 0.251 196 G HA3 -0.464 3.570 3.960 -0.054 -0.107 0.251 196 G C -0.150 174.784 174.900 0.058 0.000 0.998 196 G CA 0.226 45.319 45.100 -0.011 0.000 0.621 196 G HN 0.750 9.062 8.290 0.037 0.000 0.524 197 G N 0.834 109.693 108.800 0.097 0.000 2.563 197 G HA2 0.400 4.505 3.960 0.122 0.000 0.283 197 G HA3 0.400 4.432 3.960 0.120 0.000 0.283 197 G C -2.729 172.254 174.900 0.139 0.000 1.309 197 G CA -1.942 43.231 45.100 0.121 0.000 1.022 197 G HN -0.343 7.923 8.290 0.104 0.086 0.501 198 P HA 0.373 4.999 4.420 0.134 -0.126 0.286 198 P C -1.658 175.713 177.300 0.119 0.000 1.261 198 P CA -1.030 62.162 63.100 0.154 0.000 0.821 198 P CB 1.647 33.498 31.700 0.252 0.000 1.013 199 V N 2.835 122.800 119.914 0.086 0.000 2.398 199 V HA 0.314 4.612 4.120 0.003 -0.176 0.282 199 V C -1.267 174.842 176.094 0.025 0.000 1.014 199 V CA -0.511 61.806 62.300 0.027 0.000 0.838 199 V CB 1.577 33.401 31.823 0.001 0.000 1.018 199 V HN -0.205 8.040 8.190 0.092 0.000 0.432 200 V N 7.945 127.864 119.914 0.009 0.000 2.417 200 V HA 0.599 4.869 4.120 -0.061 -0.187 0.291 200 V C -1.258 174.819 176.094 -0.028 0.000 1.024 200 V CA -1.194 61.085 62.300 -0.036 0.000 0.861 200 V CB 2.716 34.502 31.823 -0.062 0.000 0.985 200 V HN 0.445 8.655 8.190 0.033 0.000 0.436 201 c N 7.836 126.407 118.600 -0.050 0.000 2.396 201 c HA 0.570 5.118 4.570 -0.036 0.000 0.321 201 c C 0.271 174.332 174.090 -0.047 0.000 1.233 201 c CA -1.292 55.006 56.329 -0.051 0.000 1.440 201 c CB 1.895 44.355 42.510 -0.084 0.000 2.110 201 c HN 0.663 8.856 8.230 -0.061 0.000 0.473 202 S N 5.068 120.749 115.700 -0.031 0.000 3.491 202 S HA -0.410 4.052 4.470 -0.014 0.000 0.371 202 S C 0.469 175.052 174.600 -0.030 0.000 0.980 202 S CA 1.031 59.216 58.200 -0.025 0.000 1.204 202 S CB -1.300 61.882 63.200 -0.030 0.000 0.915 202 S HN 1.065 9.361 8.310 -0.023 0.000 0.482 203 G N -4.469 104.312 108.800 -0.032 0.000 2.153 203 G HA2 -0.463 3.465 3.960 -0.053 0.000 0.252 203 G HA3 -0.463 3.478 3.960 -0.032 0.000 0.252 203 G C -0.792 174.059 174.900 -0.082 0.000 0.994 203 G CA 0.561 45.631 45.100 -0.050 0.000 0.698 203 G HN 0.340 8.600 8.290 -0.024 0.016 0.521 210 Q N 1.176 120.993 119.800 0.029 0.000 2.392 210 Q HA 0.236 4.610 4.340 0.058 0.000 0.219 210 Q C -0.347 175.808 176.000 0.259 0.000 0.895 210 Q CA 0.337 56.179 55.803 0.064 0.000 0.929 210 Q CB 2.586 31.282 28.738 -0.070 0.000 1.077 210 Q HN 0.473 8.749 8.270 0.011 0.000 0.532 211 G N -3.172 105.800 108.800 0.287 0.000 2.694 211 G HA2 0.626 5.083 3.960 0.407 0.000 0.290 211 G HA3 0.626 4.865 3.960 0.465 0.000 0.290 211 G C -3.255 171.771 174.900 0.210 0.000 1.386 211 G CA -0.731 44.586 45.100 0.362 0.000 0.872 211 G HN -0.374 8.023 8.290 0.178 0.000 0.475 212 I N -1.181 119.505 120.570 0.193 0.000 2.466 212 I HA 0.559 5.036 4.170 0.155 -0.214 0.289 212 I C -0.406 175.830 176.117 0.199 0.000 1.026 212 I CA -1.426 59.968 61.300 0.156 0.000 1.078 212 I CB 4.265 42.318 38.000 0.089 0.000 1.249 212 I HN -0.365 8.028 8.210 0.178 -0.076 0.429 213 V N 7.430 127.479 119.914 0.224 0.000 2.493 213 V HA -0.237 3.951 4.120 0.113 0.000 0.292 213 V C -1.133 174.975 176.094 0.023 0.000 1.016 213 V CA 2.186 64.571 62.300 0.142 0.000 1.097 213 V CB -1.100 30.829 31.823 0.176 0.000 0.947 213 V HN 0.357 8.667 8.190 0.199 0.000 0.479 214 S N 7.699 123.319 115.700 -0.132 0.000 3.142 214 S HA 0.274 4.917 4.470 0.289 0.000 0.223 214 S C -0.801 173.900 174.600 0.169 0.000 0.939 214 S CA 1.071 59.336 58.200 0.107 0.000 0.826 214 S CB 2.335 65.599 63.200 0.107 0.000 0.823 214 S HN 0.030 8.050 8.310 -0.484 0.000 0.612 215 W N -4.330 116.814 121.300 -0.260 0.000 2.940 215 W HA 0.284 4.845 4.660 -0.166 0.000 0.394 215 W C -2.865 173.488 176.519 -0.276 0.000 1.155 215 W CA -0.827 56.377 57.345 -0.236 0.000 1.165 215 W CB 0.670 29.986 29.460 -0.241 0.000 1.492 215 W HN -0.204 7.664 8.180 -0.520 0.000 0.593 216 G N -2.987 105.866 108.800 0.089 0.000 2.441 216 G HA2 0.227 3.947 3.960 -0.400 0.000 0.294 216 G HA3 0.227 4.137 3.960 -0.084 0.000 0.294 216 G C -2.256 172.777 174.900 0.222 0.000 1.393 216 G CA 0.148 45.212 45.100 -0.061 0.000 0.796 216 G HN -0.018 8.492 8.290 0.367 0.000 0.494 220 c N 1.950 120.587 118.600 0.062 0.000 3.370 220 c HA 0.315 5.078 4.570 0.062 -0.156 0.190 220 c C -1.516 172.606 174.090 0.053 0.000 1.647 220 c CA -0.828 55.535 56.329 0.056 0.000 1.277 220 c CB -1.237 41.300 42.510 0.044 0.000 2.037 220 c HN 0.311 8.573 8.230 0.054 0.000 0.537 221 Q N -2.185 117.648 119.800 0.055 0.000 2.939 221 Q HA 0.082 4.442 4.340 0.034 0.000 0.274 221 Q C -1.907 174.115 176.000 0.037 0.000 0.941 221 Q CA -0.498 55.330 55.803 0.041 0.000 0.824 221 Q CB 2.015 30.777 28.738 0.041 0.000 1.779 221 Q HN 0.044 8.352 8.270 0.064 0.000 0.470 222 K N 2.297 122.711 120.400 0.025 0.000 2.436 222 K HA -0.334 4.126 4.320 0.032 -0.121 0.275 222 K C 0.509 177.108 176.600 -0.002 0.000 0.999 222 K CA 1.543 57.842 56.287 0.019 0.000 0.980 222 K CB 0.137 32.645 32.500 0.013 0.000 0.919 222 K HN 0.181 8.444 8.250 0.022 0.000 0.484 223 N N 2.118 120.813 118.700 -0.008 0.000 2.713 223 N HA -0.477 4.240 4.740 -0.039 0.000 0.251 223 N C -1.572 173.868 175.510 -0.117 0.000 1.117 223 N CA 1.736 54.755 53.050 -0.052 0.000 0.770 223 N CB -0.484 37.966 38.487 -0.062 0.000 1.137 223 N HN 0.729 8.998 8.380 0.013 0.118 0.566 224 K N -2.301 118.060 120.400 -0.065 0.000 2.762 224 K HA 0.535 4.664 4.320 -0.319 0.000 0.180 224 K C -2.258 174.393 176.600 0.085 0.000 1.067 224 K CA -3.534 52.711 56.287 -0.069 0.000 0.973 224 K CB -0.340 32.173 32.500 0.022 0.000 1.290 224 K HN -0.789 7.402 8.250 -0.008 0.055 0.604 225 P HA -0.066 4.416 4.420 0.105 0.000 0.271 225 P C -0.478 176.873 177.300 0.085 0.000 1.244 225 P CA -0.360 62.809 63.100 0.114 0.000 0.793 225 P CB 1.091 32.849 31.700 0.096 0.000 0.984 226 G N -2.138 106.683 108.800 0.035 0.000 2.503 226 G HA2 0.309 4.077 3.960 -0.321 0.000 0.257 226 G HA3 0.309 4.230 3.960 -0.172 -0.063 0.257 226 G C -1.830 172.758 174.900 -0.521 0.000 1.214 226 G CA -0.662 44.292 45.100 -0.243 0.000 0.839 226 G HN -0.369 7.999 8.290 0.131 0.000 0.559 227 V N 1.570 120.827 119.914 -1.096 0.000 2.555 227 V HA 0.626 4.501 4.120 -0.684 -0.165 0.302 227 V C -0.946 174.375 176.094 -1.288 0.000 1.038 227 V CA -1.023 60.590 62.300 -1.144 0.000 0.887 227 V CB 2.408 33.130 31.823 -1.834 0.000 0.991 227 V HN 0.532 8.030 8.190 -1.153 0.000 0.434 228 Y N 4.868 124.748 120.300 -0.701 0.000 2.524 228 Y HA 0.569 5.025 4.550 -0.384 -0.136 0.344 228 Y C 0.250 175.852 175.900 -0.497 0.000 1.012 228 Y CA -2.230 55.471 58.100 -0.665 0.000 1.068 228 Y CB 3.756 41.551 38.460 -1.109 0.000 1.249 228 Y HN 0.957 8.850 8.280 -0.645 0.000 0.468 229 T N 4.751 119.263 114.554 -0.069 0.000 2.851 229 T HA 0.060 4.618 4.350 0.092 -0.153 0.298 229 T C -0.731 174.095 174.700 0.211 0.000 0.977 229 T CA 1.256 63.401 62.100 0.075 0.000 1.126 229 T CB 0.540 69.441 68.868 0.056 0.000 0.916 229 T HN 0.553 8.787 8.240 -0.010 0.000 0.529 230 K N 8.276 128.880 120.400 0.341 0.000 2.171 230 K HA 0.057 4.795 4.320 0.696 0.000 0.274 230 K C 0.980 177.823 176.600 0.405 0.000 1.110 230 K CA -0.331 56.238 56.287 0.470 0.000 0.952 230 K CB -0.382 32.345 32.500 0.377 0.000 1.309 230 K HN 0.149 8.476 8.250 0.304 0.106 0.414 231 V N 6.304 126.438 119.914 0.366 0.000 2.392 231 V HA -0.524 3.870 4.120 0.457 0.000 0.249 231 V C 1.363 177.609 176.094 0.253 0.000 1.059 231 V CA 3.950 66.449 62.300 0.331 0.000 1.051 231 V CB -0.279 31.676 31.823 0.221 0.000 0.658 231 V HN 0.401 8.822 8.190 0.385 0.000 0.455 232 c N -2.998 115.691 118.600 0.150 0.000 2.403 232 c HA -0.254 4.360 4.570 0.073 0.000 0.282 232 c C 1.703 175.812 174.090 0.032 0.000 1.297 232 c CA 2.008 58.380 56.329 0.073 0.000 1.785 232 c CB -2.031 40.493 42.510 0.025 0.000 1.963 232 c HN 0.488 8.806 8.230 0.147 0.000 0.507 233 N N 0.807 119.494 118.700 -0.022 0.000 2.494 233 N HA -0.106 4.541 4.740 -0.155 0.000 0.182 233 N C 0.384 175.668 175.510 -0.376 0.000 1.076 233 N CA 1.290 54.194 53.050 -0.244 0.000 0.908 233 N CB -0.260 37.940 38.487 -0.478 0.000 0.967 233 N HN -0.442 7.931 8.380 0.050 0.037 0.449 234 Y N -4.664 115.702 120.300 0.111 0.000 2.531 234 Y HA 0.168 4.849 4.550 0.219 0.000 0.249 234 Y C 0.043 176.076 175.900 0.223 0.000 1.168 234 Y CA -0.567 57.653 58.100 0.199 0.000 1.226 234 Y CB 0.009 38.600 38.460 0.219 0.000 1.177 234 Y HN -0.122 8.078 8.280 0.176 0.185 0.527 235 V N 1.023 121.071 119.914 0.223 0.000 2.332 235 V HA -0.572 3.639 4.120 0.153 0.000 0.248 235 V C 1.340 177.505 176.094 0.119 0.000 1.055 235 V CA 4.943 67.330 62.300 0.146 0.000 1.038 235 V CB -0.613 31.258 31.823 0.079 0.000 0.651 235 V HN -0.864 7.421 8.190 0.157 0.000 0.450 236 S N -0.361 115.410 115.700 0.119 0.000 2.383 236 S HA -0.301 4.188 4.470 0.033 0.000 0.227 236 S C 1.734 176.403 174.600 0.115 0.000 1.026 236 S CA 3.147 61.397 58.200 0.084 0.000 0.981 236 S CB -0.408 62.839 63.200 0.078 0.000 0.818 236 S HN 0.121 8.501 8.310 0.116 0.000 0.472 237 W N 4.158 125.497 121.300 0.066 0.000 2.355 237 W HA -0.181 4.508 4.660 0.048 0.000 0.309 237 W C 1.596 178.133 176.519 0.029 0.000 1.206 237 W CA 3.070 60.466 57.345 0.084 0.000 1.284 237 W CB -0.025 29.573 29.460 0.229 0.000 1.145 237 W HN -0.415 7.987 8.180 0.387 0.010 0.502 238 I N -0.745 119.829 120.570 0.007 0.000 2.179 238 I HA -0.760 3.031 4.170 -0.630 0.000 0.242 238 I C 1.850 177.737 176.117 -0.383 0.000 1.088 238 I CA 4.543 65.671 61.300 -0.286 0.000 1.357 238 I CB -0.245 37.743 38.000 -0.020 0.000 1.051 238 I HN 0.289 8.694 8.210 0.326 0.000 0.409 239 K N -0.971 119.299 120.400 -0.216 0.000 2.026 239 K HA -0.425 3.744 4.320 -0.252 0.000 0.208 239 K C 2.789 179.236 176.600 -0.256 0.000 1.048 239 K CA 3.810 59.967 56.287 -0.216 0.000 0.929 239 K CB -0.346 32.087 32.500 -0.112 0.000 0.713 239 K HN -0.234 7.955 8.250 -0.102 0.000 0.439 240 Q N -2.127 117.531 119.800 -0.236 0.000 2.079 240 Q HA -0.270 3.972 4.340 -0.163 0.000 0.200 240 Q C 2.624 178.432 176.000 -0.321 0.000 0.974 240 Q CA 3.339 59.013 55.803 -0.216 0.000 0.840 240 Q CB 0.061 28.715 28.738 -0.140 0.000 0.898 240 Q HN 0.105 8.257 8.270 -0.197 0.000 0.430 241 T N 2.727 116.963 114.554 -0.531 0.000 2.746 241 T HA -0.271 3.830 4.350 -0.416 0.000 0.267 241 T C 2.259 176.632 174.700 -0.544 0.000 1.039 241 T CA 4.980 66.724 62.100 -0.592 0.000 1.142 241 T CB -0.174 68.082 68.868 -1.021 0.000 0.866 241 T HN -0.030 7.825 8.240 -0.640 0.000 0.444 242 I N 0.970 121.113 120.570 -0.713 0.000 2.252 242 I HA -0.449 2.957 4.170 -1.274 0.000 0.245 242 I C 1.749 177.642 176.117 -0.373 0.000 1.102 242 I CA 3.788 64.559 61.300 -0.882 0.000 1.385 242 I CB -0.403 36.991 38.000 -1.010 0.000 1.064 242 I HN -0.019 7.772 8.210 -0.699 0.000 0.414 243 A N -0.537 122.117 122.820 -0.278 0.000 2.019 243 A HA -0.224 4.035 4.320 -0.101 0.000 0.219 243 A C 1.315 178.849 177.584 -0.083 0.000 1.164 243 A CA 2.791 54.745 52.037 -0.138 0.000 0.644 243 A CB -0.498 18.429 19.000 -0.122 0.000 0.805 243 A HN 0.033 7.988 8.150 -0.324 0.000 0.449 244 S N -4.703 110.937 115.700 -0.100 0.000 2.557 244 S HA 0.134 4.590 4.470 -0.023 0.000 0.223 244 S C -0.594 174.012 174.600 0.009 0.000 0.969 244 S CA 0.648 58.822 58.200 -0.043 0.000 0.927 244 S CB 0.971 64.136 63.200 -0.058 0.000 0.806 244 S HN -0.421 7.661 8.310 -0.167 0.128 0.489 245 N N 0.000 118.735 118.700 0.058 0.000 1.763 245 N HA 0.000 4.814 4.740 0.124 0.000 0.220 245 N CA 0.000 53.161 53.050 0.185 0.000 0.885 245 N CB 0.000 38.678 38.487 0.318 0.000 1.341 245 N HN 0.000 8.233 8.380 0.022 0.161 0.667