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 1o2h_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 4.193 4.170 0.039 0.000 0.288 16 I C 0.000 176.119 176.117 0.004 0.000 1.063 16 I CA 0.000 61.306 61.300 0.010 0.000 1.566 16 I CB 0.000 37.970 38.000 -0.049 0.000 1.214 17 V N 3.725 123.651 119.914 0.019 0.000 2.555 17 V HA 0.354 4.604 4.120 -0.003 -0.132 0.302 17 V C 0.620 176.723 176.094 0.014 0.000 1.038 17 V CA -1.872 60.435 62.300 0.011 0.000 0.887 17 V CB 1.772 33.607 31.823 0.020 0.000 0.991 17 V HN 0.485 8.699 8.190 0.040 0.000 0.434 18 G N 5.982 114.784 108.800 0.003 0.000 2.168 18 G HA2 -0.398 3.560 3.960 -0.003 0.000 0.257 18 G HA3 -0.398 3.677 3.960 -0.018 -0.125 0.257 18 G C -0.659 174.256 174.900 0.025 0.000 0.997 18 G CA 0.603 45.702 45.100 -0.001 0.000 0.708 18 G HN 0.726 9.016 8.290 -0.001 0.000 0.520 19 G N -1.382 107.430 108.800 0.019 0.000 2.568 19 G HA2 0.464 4.468 3.960 0.080 0.000 0.293 19 G HA3 0.464 4.429 3.960 -0.091 -0.060 0.293 19 G C -1.674 173.259 174.900 0.054 0.000 1.347 19 G CA -1.073 44.030 45.100 0.004 0.000 1.039 19 G HN -0.735 7.507 8.290 0.001 0.049 0.523 20 Y N -6.177 114.108 120.300 -0.025 0.000 2.669 20 Y HA 0.382 4.918 4.550 -0.023 0.000 0.335 20 Y C -1.839 174.039 175.900 -0.037 0.000 1.116 20 Y CA -2.876 55.208 58.100 -0.026 0.000 1.081 20 Y CB 1.094 39.540 38.460 -0.022 0.000 1.297 20 Y HN 0.399 8.180 8.280 -0.656 0.105 0.484 21 T N 2.486 117.099 114.554 0.098 0.000 2.769 21 T HA 0.118 4.550 4.350 -0.103 -0.144 0.293 21 T C 0.250 174.976 174.700 0.044 0.000 0.931 21 T CA 0.975 63.078 62.100 0.004 0.000 1.139 21 T CB -0.230 68.669 68.868 0.053 0.000 0.881 21 T HN -0.001 8.360 8.240 0.203 0.000 0.532 22 c N 6.466 124.981 118.600 -0.141 0.000 2.413 22 c HA -0.139 4.426 4.570 -0.008 0.000 0.276 22 c C 0.249 174.357 174.090 0.030 0.000 1.248 22 c CA 0.818 57.098 56.329 -0.081 0.000 1.742 22 c CB 0.184 42.575 42.510 -0.199 0.000 2.017 22 c HN -0.047 8.043 8.230 -0.232 0.000 0.481 23 G N -2.055 106.745 108.800 0.001 0.000 2.742 23 G HA2 -0.159 3.818 3.960 0.028 0.000 0.686 23 G HA3 -0.159 3.821 3.960 0.032 0.000 0.686 23 G C -1.876 173.023 174.900 -0.000 0.000 1.220 23 G CA -0.850 44.261 45.100 0.019 0.000 0.783 23 G HN -0.392 7.879 8.290 -0.031 0.000 0.646 24 A N 3.518 126.347 122.820 0.014 0.000 2.567 24 A HA -0.233 4.350 4.320 0.028 -0.246 0.240 24 A C -0.315 177.274 177.584 0.007 0.000 1.053 24 A CA 1.092 53.141 52.037 0.020 0.000 0.755 24 A CB 0.051 19.069 19.000 0.030 0.000 0.978 24 A HN 0.324 8.487 8.150 0.022 0.000 0.507 25 N N -3.394 115.308 118.700 0.004 0.000 2.678 25 N HA -0.395 4.335 4.740 -0.017 0.000 0.250 25 N C 0.852 176.341 175.510 -0.036 0.000 1.136 25 N CA 1.976 55.019 53.050 -0.012 0.000 0.757 25 N CB -0.904 37.587 38.487 0.007 0.000 1.135 25 N HN 0.539 8.930 8.380 0.019 0.000 0.565 26 T N -2.916 111.611 114.554 -0.045 0.000 3.055 26 T HA -0.087 4.254 4.350 -0.015 0.000 0.265 26 T C 0.206 174.854 174.700 -0.088 0.000 1.111 26 T CA 2.531 64.608 62.100 -0.038 0.000 1.118 26 T CB 0.328 69.188 68.868 -0.013 0.000 0.909 26 T HN -0.418 7.745 8.240 -0.045 0.050 0.501 27 V N 2.269 122.073 119.914 -0.183 0.000 2.233 27 V HA 0.403 4.294 4.120 -0.382 0.000 0.261 27 V C -1.459 174.341 176.094 -0.490 0.000 1.076 27 V CA -3.452 58.600 62.300 -0.414 0.000 1.001 27 V CB 0.082 31.629 31.823 -0.460 0.000 1.206 27 V HN -0.448 7.593 8.190 -0.159 0.054 0.468 28 P HA 0.013 4.505 4.420 -0.087 -0.125 0.228 28 P C 0.190 177.437 177.300 -0.088 0.000 1.151 28 P CA 1.678 64.705 63.100 -0.122 0.000 0.770 28 P CB 0.055 31.755 31.700 -0.000 0.000 0.786 29 Y N -6.247 114.077 120.300 0.040 0.000 2.457 29 Y HA 0.475 5.169 4.550 0.055 -0.111 0.263 29 Y C -0.619 175.316 175.900 0.058 0.000 1.164 29 Y CA -3.278 54.852 58.100 0.048 0.000 1.274 29 Y CB -1.197 37.287 38.460 0.041 0.000 1.097 29 Y HN -0.436 7.234 8.280 -0.914 0.062 0.523 30 Q N 2.970 122.633 119.800 -0.228 0.000 2.304 30 Q HA 0.253 4.767 4.340 0.076 -0.128 0.260 30 Q C -0.433 175.645 176.000 0.130 0.000 0.965 30 Q CA -0.053 55.724 55.803 -0.044 0.000 0.898 30 Q CB 1.235 29.838 28.738 -0.226 0.000 1.196 30 Q HN -0.626 7.288 8.270 -0.486 0.065 0.402 31 V N 1.389 121.421 119.914 0.196 0.000 3.074 31 V HA 0.931 5.294 4.120 0.193 -0.127 0.314 31 V C -2.031 174.206 176.094 0.238 0.000 1.117 31 V CA -2.944 59.468 62.300 0.187 0.000 1.014 31 V CB 4.022 35.903 31.823 0.097 0.000 1.057 31 V HN 0.026 8.327 8.190 0.185 0.000 0.438 32 S N 0.315 116.058 115.700 0.072 0.000 2.472 32 S HA 0.463 5.058 4.470 0.208 0.000 0.303 32 S C -1.028 173.458 174.600 -0.190 0.000 1.099 32 S CA -2.229 55.958 58.200 -0.022 0.000 1.077 32 S CB 1.895 64.861 63.200 -0.390 0.000 1.031 32 S HN 0.152 8.464 8.310 0.003 0.000 0.487 33 L N 6.082 127.062 121.223 -0.405 0.000 2.282 33 L HA 0.487 4.618 4.340 -0.347 0.000 0.288 33 L C -1.627 174.834 176.870 -0.682 0.000 1.033 33 L CA -0.819 53.672 54.840 -0.580 0.000 0.807 33 L CB 1.109 42.645 42.059 -0.872 0.000 1.209 33 L HN 0.757 8.698 8.230 -0.482 0.000 0.423 38 G N -0.222 108.415 108.800 -0.272 0.000 2.211 38 G HA2 -0.194 3.736 3.960 -0.050 0.000 0.201 38 G HA3 -0.194 3.804 3.960 0.063 0.000 0.201 38 G C -1.475 173.474 174.900 0.083 0.000 0.997 38 G CA 0.163 45.236 45.100 -0.044 0.000 0.652 38 G HN 0.249 8.728 8.290 -0.280 -0.357 0.500 39 Y N -6.044 114.231 120.300 -0.041 0.000 2.662 39 Y HA 0.249 4.763 4.550 -0.059 0.000 0.334 39 Y C -2.397 173.510 175.900 0.011 0.000 1.185 39 Y CA -3.165 54.914 58.100 -0.034 0.000 1.074 39 Y CB 0.611 39.048 38.460 -0.039 0.000 1.330 39 Y HN -1.147 6.752 8.280 -0.660 -0.015 0.458 40 H N 2.550 121.594 119.070 -0.043 0.000 2.722 40 H HA 0.057 4.612 4.556 -0.286 -0.170 0.328 40 H C -0.423 174.935 175.328 0.051 0.000 1.067 40 H CA -0.284 55.670 56.048 -0.156 0.000 1.447 40 H CB 0.513 30.136 29.762 -0.231 0.000 1.469 40 H HN 0.300 8.684 8.280 0.172 0.000 0.544 41 F N 1.922 121.453 119.950 -0.698 0.000 2.784 41 F HA 0.315 4.764 4.527 -0.129 0.000 0.316 41 F C -1.531 174.009 175.800 -0.433 0.000 1.026 41 F CA -0.591 57.201 58.000 -0.346 0.000 1.188 41 F CB 1.534 40.446 39.000 -0.147 0.000 0.999 41 F HN 0.071 7.661 8.300 -1.183 0.000 0.605 42 c N -2.179 115.693 118.600 -1.213 0.000 3.332 42 c HA 0.353 4.898 4.570 -0.238 -0.119 0.329 42 c C -1.405 172.468 174.090 -0.362 0.000 1.434 42 c CA -0.354 55.629 56.329 -0.577 0.000 1.314 42 c CB 4.116 46.339 42.510 -0.479 0.000 1.664 42 c HN -0.832 6.357 8.230 -1.735 0.000 0.457 43 G N -1.249 107.524 108.800 -0.045 0.000 2.753 43 G HA2 0.816 5.060 3.960 0.219 0.000 0.285 43 G HA3 0.816 4.891 3.960 0.193 0.000 0.285 43 G C -2.525 172.388 174.900 0.022 0.000 1.344 43 G CA -1.693 43.480 45.100 0.120 0.000 1.050 43 G HN 0.801 8.960 8.290 -0.041 0.107 0.532 44 G N -4.225 104.625 108.800 0.083 0.000 2.466 44 G HA2 0.400 4.687 3.960 0.058 0.000 0.291 44 G HA3 0.400 4.385 3.960 0.042 0.000 0.291 44 G C -2.904 172.074 174.900 0.131 0.000 1.460 44 G CA 0.428 45.571 45.100 0.072 0.000 0.791 44 G HN -0.647 7.726 8.290 0.139 0.000 0.505 45 S N -0.370 115.414 115.700 0.140 0.000 2.500 45 S HA 0.846 5.680 4.470 0.269 -0.203 0.301 45 S C -1.202 173.501 174.600 0.171 0.000 1.092 45 S CA -1.078 57.241 58.200 0.198 0.000 1.030 45 S CB 3.677 66.979 63.200 0.171 0.000 1.031 45 S HN 0.364 8.743 8.310 0.116 0.000 0.483 46 L N 5.937 127.279 121.223 0.198 0.000 2.313 46 L HA 0.120 4.548 4.340 0.146 0.000 0.282 46 L C -0.723 176.233 176.870 0.142 0.000 1.092 46 L CA -0.007 54.929 54.840 0.161 0.000 0.831 46 L CB 0.962 43.116 42.059 0.159 0.000 1.159 46 L HN 0.472 8.747 8.230 0.262 0.112 0.442 47 I N -0.144 120.505 120.570 0.131 0.000 4.181 47 I HA 0.483 4.833 4.170 0.064 -0.141 0.331 47 I C -0.978 175.195 176.117 0.094 0.000 1.312 47 I CA -0.657 60.697 61.300 0.090 0.000 1.146 47 I CB 1.067 39.107 38.000 0.068 0.000 1.074 47 I HN 0.190 8.495 8.210 0.158 0.000 0.402 48 N N -2.158 116.622 118.700 0.135 0.000 3.185 48 N HA 0.202 4.999 4.740 0.095 0.000 0.238 48 N C 0.300 175.893 175.510 0.139 0.000 1.451 48 N CA -1.033 52.094 53.050 0.129 0.000 0.888 48 N CB 1.327 39.899 38.487 0.142 0.000 1.413 48 N HN -0.867 7.609 8.380 0.160 0.000 0.511 49 S N -0.184 115.581 115.700 0.110 0.000 2.423 49 S HA -0.426 4.086 4.470 0.070 0.000 0.238 49 S C 1.064 175.702 174.600 0.064 0.000 1.028 49 S CA 3.359 61.607 58.200 0.080 0.000 1.000 49 S CB -0.309 62.927 63.200 0.061 0.000 0.797 49 S HN 0.590 8.959 8.310 0.099 0.000 0.487 50 Q N -1.271 118.585 119.800 0.094 0.000 2.164 50 Q HA 0.278 4.567 4.340 -0.085 0.000 0.226 50 Q C -2.066 173.822 176.000 -0.187 0.000 0.813 50 Q CA -0.626 55.140 55.803 -0.061 0.000 0.978 50 Q CB 2.541 31.216 28.738 -0.105 0.000 1.149 50 Q HN 0.143 8.827 8.270 0.189 -0.300 0.489 51 W N -2.017 119.287 121.300 0.007 0.000 2.819 51 W HA 0.626 5.473 4.660 0.001 -0.187 0.337 51 W C -1.433 175.096 176.519 0.016 0.000 1.077 51 W CA -0.932 56.414 57.345 0.003 0.000 1.226 51 W CB 3.784 33.236 29.460 -0.013 0.000 1.419 51 W HN -0.123 8.279 8.180 0.293 -0.046 0.502 52 V N 0.689 120.760 119.914 0.260 0.000 2.914 52 V HA 0.733 5.104 4.120 0.166 -0.151 0.314 52 V C -1.522 174.679 176.094 0.178 0.000 1.084 52 V CA -1.861 60.542 62.300 0.171 0.000 0.963 52 V CB 4.158 36.039 31.823 0.097 0.000 1.025 52 V HN 0.647 9.000 8.190 0.272 0.000 0.432 53 V N 4.529 124.526 119.914 0.139 0.000 2.555 53 V HA 0.716 5.087 4.120 0.149 -0.162 0.302 53 V C -1.339 174.809 176.094 0.089 0.000 1.038 53 V CA -1.277 61.098 62.300 0.126 0.000 0.887 53 V CB 2.387 34.278 31.823 0.114 0.000 0.991 53 V HN 0.553 8.820 8.190 0.128 0.000 0.434 54 S N 4.295 120.036 115.700 0.068 0.000 2.998 54 S HA 0.606 5.310 4.470 0.022 -0.222 0.321 54 S C -2.014 172.574 174.600 -0.020 0.000 1.171 54 S CA -2.675 55.534 58.200 0.015 0.000 0.882 54 S CB 2.585 65.777 63.200 -0.013 0.000 1.301 54 S HN 0.706 9.069 8.310 0.088 0.000 0.629 55 A N -0.389 122.379 122.820 -0.087 0.000 2.301 55 A HA 0.436 4.864 4.320 -0.109 -0.174 0.312 55 A C 0.861 178.329 177.584 -0.193 0.000 1.182 55 A CA -1.585 50.362 52.037 -0.149 0.000 0.826 55 A CB 1.461 20.319 19.000 -0.237 0.000 1.134 55 A HN 0.254 8.341 8.150 -0.106 0.000 0.501 56 A N 5.634 128.287 122.820 -0.279 0.000 1.978 56 A HA -0.276 3.905 4.320 -0.232 0.000 0.220 56 A C 1.411 178.752 177.584 -0.405 0.000 1.170 56 A CA 2.981 54.741 52.037 -0.462 0.000 0.636 56 A CB -0.501 17.866 19.000 -1.056 0.000 0.810 56 A HN 0.650 8.639 8.150 -0.264 0.003 0.448 57 H N -4.341 114.529 119.070 -0.333 0.000 2.563 57 H HA -0.099 4.464 4.556 0.011 0.000 0.272 57 H C 0.221 175.594 175.328 0.074 0.000 1.005 57 H CA 1.606 57.634 56.048 -0.033 0.000 1.171 57 H CB -0.953 28.872 29.762 0.105 0.000 1.351 57 H HN 0.020 8.439 8.280 -0.247 -0.287 0.602 58 c N -1.946 116.592 118.600 -0.104 0.000 2.791 58 c HA 0.043 4.698 4.570 0.141 0.000 0.270 58 c C 0.326 174.528 174.090 0.186 0.000 1.257 58 c CA -0.014 56.346 56.329 0.051 0.000 1.699 58 c CB -1.442 41.030 42.510 -0.064 0.000 1.904 58 c HN 0.051 7.984 8.230 -0.175 0.191 0.603 59 Y N 3.018 123.337 120.300 0.032 0.000 2.597 59 Y HA -0.265 4.318 4.550 0.055 0.000 0.336 59 Y C -1.182 174.725 175.900 0.011 0.000 1.216 59 Y CA 2.118 60.237 58.100 0.032 0.000 1.463 59 Y CB 0.769 39.227 38.460 -0.003 0.000 1.303 59 Y HN -0.623 7.578 8.280 0.171 0.182 0.576 60 K N 5.600 125.283 120.400 -1.195 0.000 2.735 60 K HA 0.177 4.079 4.320 -0.697 0.000 0.295 60 K C -2.399 173.683 176.600 -0.863 0.000 1.052 60 K CA -0.850 54.929 56.287 -0.847 0.000 0.853 60 K CB 2.257 34.441 32.500 -0.528 0.000 1.535 60 K HN -0.159 7.220 8.250 -1.453 0.000 0.383 61 S N -0.644 114.782 115.700 -0.457 0.000 2.681 61 S HA 0.139 4.440 4.470 -0.282 0.000 0.299 61 S C 0.588 175.062 174.600 -0.210 0.000 1.113 61 S CA -0.479 57.559 58.200 -0.269 0.000 1.013 61 S CB 1.516 64.641 63.200 -0.124 0.000 1.076 61 S HN -0.185 7.922 8.310 -0.339 0.000 0.534 62 G N 0.225 108.938 108.800 -0.144 0.000 2.326 62 G HA2 -0.233 3.669 3.960 -0.096 0.000 0.286 62 G HA3 -0.233 3.649 3.960 -0.130 0.000 0.286 62 G C -1.976 172.847 174.900 -0.130 0.000 1.096 62 G CA 0.169 45.194 45.100 -0.124 0.000 1.003 62 G HN 0.317 8.537 8.290 -0.118 0.000 0.503 63 I N -1.293 119.215 120.570 -0.104 0.000 2.404 63 I HA 0.301 4.617 4.170 -0.039 -0.169 0.293 63 I C -1.681 174.386 176.117 -0.084 0.000 0.992 63 I CA -1.459 59.803 61.300 -0.064 0.000 1.149 63 I CB 1.757 39.739 38.000 -0.028 0.000 1.315 63 I HN -0.581 7.568 8.210 -0.102 0.000 0.446 64 Q N 6.836 126.571 119.800 -0.109 0.000 3.067 64 Q HA 0.403 4.690 4.340 -0.090 0.000 0.200 64 Q C -1.666 174.246 176.000 -0.146 0.000 1.068 64 Q CA -1.906 53.822 55.803 -0.124 0.000 0.800 64 Q CB 4.156 32.790 28.738 -0.173 0.000 2.832 64 Q HN 0.551 8.751 8.270 -0.117 0.000 0.405 65 R N -2.777 117.666 120.500 -0.096 0.000 2.678 65 R HA 0.423 4.989 4.340 0.113 -0.159 0.267 65 R C -1.445 174.891 176.300 0.060 0.000 1.173 65 R CA -0.004 56.079 56.100 -0.028 0.000 1.061 65 R CB 2.963 33.115 30.300 -0.246 0.000 1.262 65 R HN 0.510 8.712 8.270 -0.113 0.000 0.427 70 E N -0.049 120.252 120.200 0.169 0.000 2.313 70 E HA 0.100 4.536 4.350 0.143 0.000 0.272 70 E C -1.484 175.315 176.600 0.332 0.000 1.038 70 E CA 0.584 57.102 56.400 0.197 0.000 0.863 70 E CB 1.354 31.105 29.700 0.084 0.000 1.060 70 E HN -0.469 7.961 8.360 0.187 0.043 0.402 71 D N 1.278 121.848 120.400 0.284 0.000 3.001 71 D HA -0.006 4.857 4.640 0.371 0.000 0.183 71 D C -1.101 175.412 176.300 0.354 0.000 1.502 71 D CA 1.263 55.445 54.000 0.304 0.000 1.490 71 D CB 2.154 43.040 40.800 0.143 0.000 1.274 71 D HN 0.068 8.550 8.370 0.187 0.000 0.269 72 N N 0.725 119.535 118.700 0.183 0.000 2.406 72 N HA 0.191 5.148 4.740 0.179 -0.109 0.251 72 N C 1.892 177.416 175.510 0.023 0.000 1.069 72 N CA -0.803 52.322 53.050 0.126 0.000 0.947 72 N CB 0.567 39.102 38.487 0.080 0.000 1.111 72 N HN -0.519 7.942 8.380 0.136 0.000 0.497 73 I N 0.009 120.511 120.570 -0.114 0.000 3.291 73 I HA -0.045 4.131 4.170 -0.260 -0.162 0.279 73 I C -0.319 175.721 176.117 -0.130 0.000 1.294 73 I CA 1.317 62.455 61.300 -0.270 0.000 1.428 73 I CB -0.699 36.935 38.000 -0.610 0.000 1.070 73 I HN 0.569 8.728 8.210 -0.084 0.000 0.478 74 N N -1.596 117.073 118.700 -0.051 0.000 2.254 74 N HA 0.078 4.803 4.740 -0.025 0.000 0.190 74 N C -0.574 174.945 175.510 0.015 0.000 1.107 74 N CA 1.240 54.281 53.050 -0.014 0.000 0.869 74 N CB 1.644 40.132 38.487 0.002 0.000 0.983 74 N HN -0.043 8.588 8.380 -0.029 -0.268 0.487 75 V N -0.007 119.922 119.914 0.025 0.000 2.769 75 V HA 0.158 4.298 4.120 0.032 0.000 0.312 75 V C -1.087 175.033 176.094 0.043 0.000 1.061 75 V CA -1.293 61.027 62.300 0.034 0.000 0.931 75 V CB 3.065 34.906 31.823 0.029 0.000 1.010 75 V HN -0.690 7.638 8.190 0.019 -0.127 0.433 76 V N 5.722 125.657 119.914 0.034 0.000 2.465 76 V HA 0.027 4.364 4.120 0.032 -0.198 0.279 76 V C -0.371 175.724 176.094 0.002 0.000 1.045 76 V CA -0.149 62.159 62.300 0.013 0.000 0.938 76 V CB 0.746 32.553 31.823 -0.026 0.000 0.986 76 V HN 0.316 8.522 8.190 0.026 0.000 0.467 77 E N 6.645 126.846 120.200 0.001 0.000 2.676 77 E HA 0.175 4.525 4.350 0.001 0.000 0.225 77 E C -0.569 176.027 176.600 -0.007 0.000 0.944 77 E CA -0.629 55.773 56.400 0.003 0.000 1.156 77 E CB 1.227 30.939 29.700 0.020 0.000 1.117 77 E HN 0.198 9.034 8.360 0.000 -0.476 0.523 78 G N 0.251 109.037 108.800 -0.023 0.000 2.515 78 G HA2 -0.242 3.686 3.960 -0.053 0.000 0.686 78 G HA3 -0.242 3.705 3.960 -0.021 0.000 0.686 78 G C -1.845 173.041 174.900 -0.022 0.000 1.274 78 G CA -0.644 44.437 45.100 -0.032 0.000 0.874 78 G HN -0.442 8.069 8.290 -0.032 -0.241 0.631 79 N N -4.413 114.270 118.700 -0.029 0.000 2.967 79 N HA -0.326 4.405 4.740 -0.015 0.000 0.218 79 N C -0.804 174.697 175.510 -0.015 0.000 0.870 79 N CA 1.551 54.593 53.050 -0.013 0.000 1.030 79 N CB -0.276 38.217 38.487 0.010 0.000 1.027 79 N HN 0.145 8.502 8.380 -0.039 0.000 0.603 80 E N -1.113 119.062 120.200 -0.042 0.000 2.373 80 E HA 0.132 4.732 4.350 0.046 -0.223 0.267 80 E C -0.069 176.468 176.600 -0.104 0.000 1.032 80 E CA 0.699 57.075 56.400 -0.039 0.000 0.889 80 E CB 0.451 30.101 29.700 -0.084 0.000 0.984 80 E HN -0.158 8.055 8.360 -0.059 0.112 0.425 81 Q N 3.570 123.380 119.800 0.016 0.000 2.290 81 Q HA 0.316 4.603 4.340 -0.088 0.000 0.269 81 Q C -1.486 174.647 176.000 0.222 0.000 1.016 81 Q CA -1.335 54.479 55.803 0.017 0.000 0.754 81 Q CB 3.182 31.939 28.738 0.032 0.000 1.247 81 Q HN 0.238 8.576 8.270 0.113 0.000 0.451 82 F N 4.361 124.291 119.950 -0.033 0.000 2.385 82 F HA 0.288 4.966 4.527 -0.049 -0.180 0.360 82 F C -0.076 175.699 175.800 -0.042 0.000 1.122 82 F CA -3.313 54.661 58.000 -0.043 0.000 1.090 82 F CB 0.128 39.101 39.000 -0.046 0.000 1.150 82 F HN 0.384 8.698 8.300 0.024 0.000 0.472 83 I N 4.656 125.297 120.570 0.117 0.000 2.466 83 I HA 0.241 4.437 4.170 0.043 0.000 0.289 83 I C -0.911 175.201 176.117 -0.008 0.000 1.026 83 I CA -1.248 60.075 61.300 0.039 0.000 1.078 83 I CB 3.485 41.495 38.000 0.017 0.000 1.249 83 I HN 0.648 8.915 8.210 0.094 0.000 0.429 84 S N 6.937 122.626 115.700 -0.018 0.000 2.584 84 S HA -0.028 4.411 4.470 -0.053 0.000 0.270 84 S C -0.545 174.018 174.600 -0.062 0.000 1.346 84 S CA 1.299 59.472 58.200 -0.044 0.000 1.018 84 S CB 0.854 64.031 63.200 -0.039 0.000 0.899 84 S HN 0.571 8.877 8.310 -0.006 0.000 0.542 85 A N 2.652 125.430 122.820 -0.071 0.000 2.331 85 A HA 0.151 4.506 4.320 -0.105 -0.099 0.283 85 A C -0.899 176.632 177.584 -0.087 0.000 1.142 85 A CA -0.223 51.763 52.037 -0.086 0.000 0.812 85 A CB 0.541 19.498 19.000 -0.071 0.000 1.074 85 A HN -0.182 7.928 8.150 -0.068 0.000 0.497 86 S N 3.846 119.474 115.700 -0.120 0.000 2.371 86 S HA 0.058 4.483 4.470 -0.076 0.000 0.219 86 S C -0.243 174.311 174.600 -0.077 0.000 1.040 86 S CA 1.714 59.851 58.200 -0.104 0.000 0.958 86 S CB 0.954 64.066 63.200 -0.147 0.000 0.860 86 S HN 0.642 8.740 8.310 -0.167 0.112 0.487 87 K N -0.730 119.613 120.400 -0.095 0.000 2.532 87 K HA 0.303 4.636 4.320 0.021 0.000 0.265 87 K C -2.416 174.200 176.600 0.027 0.000 0.948 87 K CA -0.937 55.342 56.287 -0.014 0.000 0.842 87 K CB 3.505 36.006 32.500 0.002 0.000 1.392 87 K HN -0.806 7.344 8.250 -0.168 0.000 0.436 88 S N 1.414 117.189 115.700 0.125 0.000 2.473 88 S HA 0.629 5.361 4.470 0.156 -0.168 0.307 88 S C -0.705 174.020 174.600 0.209 0.000 1.094 88 S CA -0.412 57.904 58.200 0.194 0.000 1.070 88 S CB 2.388 65.774 63.200 0.309 0.000 1.019 88 S HN 0.193 8.594 8.310 0.152 0.000 0.480 89 I N 7.548 128.254 120.570 0.226 0.000 2.428 89 I HA 0.084 4.356 4.170 0.170 0.000 0.279 89 I C -1.406 174.867 176.117 0.260 0.000 1.040 89 I CA -0.909 60.528 61.300 0.229 0.000 1.171 89 I CB 0.901 39.057 38.000 0.261 0.000 1.312 89 I HN 1.030 9.281 8.210 0.248 0.108 0.470 90 V N 7.981 127.975 119.914 0.134 0.000 2.637 90 V HA -0.215 3.954 4.120 0.081 0.000 0.296 90 V C -0.217 175.948 176.094 0.118 0.000 1.046 90 V CA -0.204 62.137 62.300 0.068 0.000 1.066 90 V CB 0.628 32.399 31.823 -0.087 0.000 0.968 90 V HN 0.350 8.576 8.190 0.059 0.000 0.483 91 H N 9.345 128.375 119.070 -0.067 0.000 3.094 91 H HA -0.094 4.190 4.556 -0.454 0.000 0.320 91 H C -0.415 174.846 175.328 -0.110 0.000 1.000 91 H CA 0.805 56.662 56.048 -0.319 0.000 1.413 91 H CB 1.366 30.798 29.762 -0.549 0.000 1.405 91 H HN -0.299 8.014 8.280 0.055 0.000 0.586 92 P HA -0.112 4.302 4.420 -0.010 0.000 0.218 92 P C -0.458 176.873 177.300 0.052 0.000 1.148 92 P CA 1.498 64.550 63.100 -0.081 0.000 0.822 92 P CB 0.353 31.981 31.700 -0.121 0.000 0.784 93 S N -3.723 112.116 115.700 0.233 0.000 2.583 93 S HA 0.043 4.570 4.470 0.095 0.000 0.239 93 S C -0.576 174.129 174.600 0.175 0.000 0.966 93 S CA -0.002 58.320 58.200 0.204 0.000 0.973 93 S CB 0.354 63.671 63.200 0.194 0.000 0.794 93 S HN -0.371 8.158 8.310 0.418 0.032 0.463 94 Y N 3.542 123.882 120.300 0.067 0.000 2.511 94 Y HA -0.273 4.451 4.550 -0.056 -0.208 0.332 94 Y C -0.975 174.915 175.900 -0.018 0.000 1.177 94 Y CA 0.644 58.737 58.100 -0.012 0.000 1.422 94 Y CB 0.997 39.454 38.460 -0.005 0.000 1.271 94 Y HN -0.757 7.639 8.280 0.308 0.069 0.550 95 N N 6.679 125.030 118.700 -0.582 0.000 2.483 95 N HA 0.216 4.683 4.740 -0.453 0.000 0.267 95 N C -0.293 174.673 175.510 -0.906 0.000 0.998 95 N CA -1.243 51.475 53.050 -0.554 0.000 0.918 95 N CB 1.981 40.299 38.487 -0.282 0.000 1.215 95 N HN -0.190 7.939 8.380 -0.419 0.000 0.500 96 S N 6.455 121.611 115.700 -0.906 0.000 2.515 96 S HA -0.066 3.992 4.470 -0.687 0.000 0.231 96 S C 0.738 175.147 174.600 -0.317 0.000 0.987 96 S CA 2.321 60.162 58.200 -0.598 0.000 0.936 96 S CB -0.193 62.851 63.200 -0.260 0.000 0.766 96 S HN 0.607 8.503 8.310 -0.690 0.000 0.528 97 N N 1.666 120.188 118.700 -0.296 0.000 2.395 97 N HA 0.027 4.643 4.740 -0.205 0.000 0.175 97 N C 0.830 176.183 175.510 -0.261 0.000 1.029 97 N CA 2.228 55.141 53.050 -0.227 0.000 0.897 97 N CB 0.660 39.042 38.487 -0.175 0.000 0.991 97 N HN 0.311 8.737 8.380 -0.328 -0.242 0.441 98 T N -4.607 109.786 114.554 -0.269 0.000 2.990 98 T HA 0.104 4.264 4.350 -0.316 0.000 0.250 98 T C 0.018 174.540 174.700 -0.296 0.000 1.041 98 T CA 0.050 61.989 62.100 -0.269 0.000 1.010 98 T CB 1.908 70.673 68.868 -0.172 0.000 1.003 98 T HN -0.604 7.666 8.240 -0.278 -0.197 0.499 99 L N -3.039 118.041 121.223 -0.239 0.000 4.140 99 L HA -0.498 3.961 4.340 0.067 -0.079 0.406 99 L C -1.960 174.951 176.870 0.070 0.000 1.175 99 L CA 0.353 55.164 54.840 -0.048 0.000 0.939 99 L CB -2.537 39.451 42.059 -0.118 0.000 2.105 99 L HN -0.170 7.887 8.230 -0.288 0.000 0.803 100 N N -1.117 117.580 118.700 -0.006 0.000 2.530 100 N HA -0.134 4.662 4.740 0.093 0.000 0.273 100 N C -0.089 175.468 175.510 0.079 0.000 1.173 100 N CA 0.478 53.555 53.050 0.045 0.000 0.967 100 N CB 1.314 39.799 38.487 -0.002 0.000 1.109 100 N HN -0.786 7.492 8.380 -0.105 0.039 0.453 101 N N -1.140 117.593 118.700 0.056 0.000 2.746 101 N HA -0.465 4.187 4.740 -0.146 0.000 0.250 101 N C -1.363 174.112 175.510 -0.059 0.000 1.055 101 N CA 1.345 54.319 53.050 -0.127 0.000 0.699 101 N CB -1.595 36.685 38.487 -0.344 0.000 0.919 101 N HN 0.646 9.084 8.380 0.097 0.000 0.548 102 D N -1.008 119.402 120.400 0.017 0.000 2.619 102 D HA 0.074 4.696 4.640 -0.030 0.000 0.224 102 D C -1.688 174.519 176.300 -0.154 0.000 1.133 102 D CA -0.469 53.535 54.000 0.007 0.000 1.017 102 D CB -0.671 40.230 40.800 0.168 0.000 1.077 102 D HN 0.002 8.400 8.370 0.047 0.000 0.503 103 I N 1.374 121.792 120.570 -0.254 0.000 2.802 103 I HA 0.708 4.985 4.170 -0.123 -0.181 0.298 103 I C -3.018 173.067 176.117 -0.053 0.000 1.176 103 I CA -1.716 59.468 61.300 -0.194 0.000 1.025 103 I CB 4.136 41.889 38.000 -0.412 0.000 1.243 103 I HN -0.144 7.856 8.210 -0.274 0.046 0.424 104 M N 5.957 125.600 119.600 0.072 0.000 2.470 104 M HA 0.667 5.489 4.480 0.275 -0.176 0.285 104 M C -2.796 173.643 176.300 0.231 0.000 1.213 104 M CA -1.076 54.330 55.300 0.178 0.000 0.901 104 M CB 4.905 37.559 32.600 0.090 0.000 1.718 104 M HN 0.529 8.773 8.290 0.058 0.081 0.469 105 L N 2.814 124.208 121.223 0.285 0.000 2.346 105 L HA 0.868 5.545 4.340 0.257 -0.183 0.276 105 L C -1.317 175.733 176.870 0.300 0.000 1.006 105 L CA -1.565 53.452 54.840 0.295 0.000 0.817 105 L CB 3.296 45.521 42.059 0.277 0.000 1.272 105 L HN 0.064 8.490 8.230 0.326 0.000 0.421 106 I N 1.203 121.916 120.570 0.239 0.000 2.465 106 I HA 0.700 5.111 4.170 0.057 -0.207 0.291 106 I C -1.446 174.587 176.117 -0.140 0.000 1.014 106 I CA -1.524 59.812 61.300 0.060 0.000 1.093 106 I CB 3.190 41.205 38.000 0.025 0.000 1.267 106 I HN 0.538 8.909 8.210 0.267 0.000 0.431 107 K N 5.996 126.132 120.400 -0.441 0.000 2.130 107 K HA 0.697 4.355 4.320 -1.372 -0.161 0.268 107 K C -1.056 175.254 176.600 -0.484 0.000 0.983 107 K CA -1.866 53.830 56.287 -0.985 0.000 0.893 107 K CB 3.078 34.861 32.500 -1.196 0.000 1.066 107 K HN 0.618 8.694 8.250 -0.290 0.000 0.450 108 L N 4.174 125.149 121.223 -0.413 0.000 2.399 108 L HA 0.137 4.469 4.340 -0.170 -0.094 0.265 108 L C 0.064 176.820 176.870 -0.191 0.000 1.089 108 L CA -0.210 54.501 54.840 -0.215 0.000 0.802 108 L CB 0.646 42.622 42.059 -0.139 0.000 1.180 108 L HN 0.524 8.338 8.230 -0.524 0.102 0.454 109 K N 0.811 121.138 120.400 -0.122 0.000 2.057 109 K HA -0.287 3.970 4.320 -0.104 0.000 0.207 109 K C -0.219 176.333 176.600 -0.079 0.000 1.049 109 K CA 2.386 58.618 56.287 -0.093 0.000 0.931 109 K CB 0.602 33.066 32.500 -0.061 0.000 0.714 109 K HN 0.675 8.865 8.250 -0.100 0.000 0.440 110 S N -3.698 111.963 115.700 -0.065 0.000 2.632 110 S HA 0.129 4.570 4.470 -0.048 0.000 0.289 110 S C -1.671 172.902 174.600 -0.045 0.000 1.115 110 S CA -1.106 57.066 58.200 -0.047 0.000 0.889 110 S CB 2.766 65.949 63.200 -0.027 0.000 1.116 110 S HN -0.305 7.969 8.310 -0.061 0.000 0.486 111 A N -0.280 122.523 122.820 -0.028 0.000 2.407 111 A HA 0.007 4.473 4.320 -0.021 -0.158 0.248 111 A C -0.335 177.249 177.584 -0.000 0.000 1.082 111 A CA -0.154 51.876 52.037 -0.012 0.000 0.785 111 A CB 0.471 19.474 19.000 0.005 0.000 1.020 111 A HN 0.227 8.364 8.150 -0.023 0.000 0.489 112 A N 1.220 124.047 122.820 0.012 0.000 2.271 112 A HA 0.196 4.524 4.320 0.014 0.000 0.288 112 A C -0.436 177.161 177.584 0.021 0.000 1.094 112 A CA -1.188 50.861 52.037 0.020 0.000 0.828 112 A CB 1.505 20.525 19.000 0.033 0.000 1.091 112 A HN 0.299 8.342 8.150 0.018 0.118 0.493 113 S N 0.237 115.948 115.700 0.019 0.000 2.452 113 S HA 0.106 4.586 4.470 0.017 0.000 0.284 113 S C -1.089 173.525 174.600 0.025 0.000 1.171 113 S CA -0.345 57.865 58.200 0.017 0.000 1.064 113 S CB 0.244 63.448 63.200 0.008 0.000 0.967 113 S HN 0.191 8.903 8.310 0.017 -0.392 0.484 114 L N 5.793 127.034 121.223 0.029 0.000 2.343 114 L HA 0.256 4.746 4.340 0.041 -0.125 0.275 114 L C -0.479 176.409 176.870 0.030 0.000 1.056 114 L CA -0.516 54.346 54.840 0.036 0.000 0.804 114 L CB 1.237 43.322 42.059 0.043 0.000 1.203 114 L HN 0.266 8.512 8.230 0.027 0.000 0.440 115 N N 2.473 121.192 118.700 0.031 0.000 3.622 115 N HA 0.146 4.900 4.740 0.024 0.000 0.352 115 N C -1.413 174.115 175.510 0.029 0.000 1.559 115 N CA -0.475 52.590 53.050 0.025 0.000 0.801 115 N CB 0.519 39.017 38.487 0.018 0.000 2.399 115 N HN 0.326 8.729 8.380 0.037 0.000 0.545 116 S N -3.055 112.660 115.700 0.025 0.000 2.470 116 S HA -0.062 4.428 4.470 0.034 0.000 0.225 116 S C 0.677 175.293 174.600 0.026 0.000 1.006 116 S CA 1.846 60.063 58.200 0.027 0.000 0.934 116 S CB 0.256 63.469 63.200 0.022 0.000 0.778 116 S HN 0.022 8.344 8.310 0.020 0.000 0.517 117 R N -0.926 119.587 120.500 0.022 0.000 2.210 117 R HA 0.090 4.437 4.340 0.012 0.000 0.203 117 R C -1.120 175.194 176.300 0.023 0.000 1.010 117 R CA 0.432 56.543 56.100 0.018 0.000 1.008 117 R CB 0.901 31.211 30.300 0.018 0.000 0.923 117 R HN 0.029 8.602 8.270 0.021 -0.290 0.469 118 V N -1.619 118.315 119.914 0.034 0.000 2.409 118 V HA 0.274 4.610 4.120 0.046 -0.189 0.290 118 V C -2.128 174.003 176.094 0.062 0.000 1.017 118 V CA -1.002 61.327 62.300 0.047 0.000 0.841 118 V CB 2.066 33.916 31.823 0.045 0.000 1.003 118 V HN -0.601 7.814 8.190 0.033 -0.206 0.426 119 A N 6.581 129.453 122.820 0.087 0.000 2.539 119 A HA 0.478 4.848 4.320 0.084 0.000 0.296 119 A C -2.591 175.082 177.584 0.149 0.000 1.073 119 A CA -1.165 50.935 52.037 0.105 0.000 0.700 119 A CB 3.308 22.371 19.000 0.104 0.000 1.296 119 A HN 0.246 8.323 8.150 0.092 0.128 0.405 120 S N -1.381 114.393 115.700 0.123 0.000 2.681 120 S HA 0.448 5.146 4.470 0.167 -0.128 0.270 120 S C -0.638 174.022 174.600 0.101 0.000 1.209 120 S CA -0.958 57.318 58.200 0.127 0.000 0.988 120 S CB 1.559 64.812 63.200 0.088 0.000 1.006 120 S HN 0.000 8.367 8.310 0.095 0.000 0.558 121 I N -0.142 120.442 120.570 0.023 0.000 2.797 121 I HA 0.234 4.347 4.170 -0.095 0.000 0.307 121 I C -1.281 174.788 176.117 -0.081 0.000 1.033 121 I CA -1.688 59.532 61.300 -0.132 0.000 1.071 121 I CB 4.144 41.840 38.000 -0.507 0.000 1.255 121 I HN 0.041 8.275 8.210 0.040 0.000 0.445 122 S N 4.276 119.924 115.700 -0.088 0.000 2.585 122 S HA 0.294 4.745 4.470 -0.031 0.000 0.277 122 S C -0.742 173.828 174.600 -0.050 0.000 1.241 122 S CA -0.559 57.610 58.200 -0.051 0.000 1.041 122 S CB 0.907 64.082 63.200 -0.040 0.000 0.987 122 S HN 0.176 8.417 8.310 -0.115 0.000 0.512 123 L N 2.658 123.866 121.223 -0.026 0.000 2.418 123 L HA 0.179 4.514 4.340 -0.007 0.000 0.265 123 L C -1.231 175.633 176.870 -0.011 0.000 1.143 123 L CA -1.961 52.874 54.840 -0.009 0.000 0.809 123 L CB -0.029 42.033 42.059 0.005 0.000 1.124 123 L HN 0.277 8.494 8.230 -0.021 0.000 0.456 124 P HA 0.122 4.529 4.420 -0.022 0.000 0.276 124 P C -1.207 176.089 177.300 -0.006 0.000 1.244 124 P CA -0.675 62.419 63.100 -0.011 0.000 0.801 124 P CB 0.826 32.520 31.700 -0.011 0.000 1.006 128 c N 0.871 119.443 118.600 -0.046 0.000 2.649 128 c HA 0.034 4.564 4.570 -0.066 0.000 0.377 128 c C -0.042 173.986 174.090 -0.103 0.000 1.321 128 c CA -0.408 55.879 56.329 -0.071 0.000 2.368 128 c CB 0.274 42.747 42.510 -0.061 0.000 2.597 128 c HN -0.008 8.198 8.230 -0.039 0.000 0.678 129 A N 0.545 123.265 122.820 -0.166 0.000 2.269 129 A HA 0.134 4.379 4.320 -0.124 0.000 0.319 129 A C -1.117 176.362 177.584 -0.175 0.000 1.110 129 A CA -0.546 51.387 52.037 -0.173 0.000 0.847 129 A CB 1.632 20.496 19.000 -0.227 0.000 1.161 129 A HN 0.219 8.239 8.150 -0.217 0.000 0.497 133 G N -0.078 108.682 108.800 -0.068 0.000 2.284 133 G HA2 -0.292 3.636 3.960 -0.054 0.000 0.247 133 G HA3 -0.292 3.641 3.960 -0.046 0.000 0.247 133 G C 0.023 174.884 174.900 -0.065 0.000 1.012 133 G CA 0.373 45.438 45.100 -0.057 0.000 0.618 133 G HN 0.606 8.752 8.290 -0.071 0.100 0.521 134 T N 3.509 118.012 114.554 -0.084 0.000 2.940 134 T HA -0.196 4.116 4.350 -0.064 0.000 0.309 134 T C -1.319 173.333 174.700 -0.079 0.000 1.056 134 T CA 2.264 64.314 62.100 -0.084 0.000 1.137 134 T CB 0.667 69.466 68.868 -0.114 0.000 0.976 134 T HN -0.442 7.653 8.240 -0.099 0.086 0.547 135 Q N 5.002 124.770 119.800 -0.054 0.000 2.243 135 Q HA 0.210 4.634 4.340 -0.048 -0.113 0.252 135 Q C -0.989 174.990 176.000 -0.036 0.000 0.909 135 Q CA 0.153 55.934 55.803 -0.036 0.000 0.922 135 Q CB 1.694 30.428 28.738 -0.006 0.000 1.215 135 Q HN 0.219 8.462 8.270 -0.045 0.000 0.427 136 c N 3.163 121.743 118.600 -0.034 0.000 2.889 136 c HA 0.576 5.240 4.570 -0.022 -0.107 0.307 136 c C -1.888 172.205 174.090 0.006 0.000 1.251 136 c CA -1.295 55.017 56.329 -0.029 0.000 1.593 136 c CB 4.027 46.498 42.510 -0.066 0.000 2.104 136 c HN 0.774 8.874 8.230 -0.035 0.109 0.476 137 L N 1.052 122.291 121.223 0.026 0.000 2.295 137 L HA 0.912 5.464 4.340 0.061 -0.175 0.285 137 L C -2.242 174.649 176.870 0.035 0.000 1.035 137 L CA -1.415 53.456 54.840 0.052 0.000 0.806 137 L CB 3.040 45.151 42.059 0.085 0.000 1.214 137 L HN 0.676 8.919 8.230 0.023 0.000 0.426 138 I N 6.094 126.673 120.570 0.015 0.000 2.545 138 I HA 0.815 5.221 4.170 0.035 -0.215 0.292 138 I C -1.430 174.664 176.117 -0.039 0.000 1.040 138 I CA -1.504 59.804 61.300 0.012 0.000 1.068 138 I CB 3.006 41.021 38.000 0.025 0.000 1.251 138 I HN 0.872 9.090 8.210 0.014 0.000 0.424 139 S N 2.378 118.046 115.700 -0.052 0.000 2.627 139 S HA 1.092 5.613 4.470 -0.214 -0.180 0.283 139 S C -1.010 173.478 174.600 -0.186 0.000 1.127 139 S CA -2.006 56.089 58.200 -0.176 0.000 0.863 139 S CB 3.760 66.819 63.200 -0.236 0.000 1.121 139 S HN -0.221 8.090 8.310 0.002 0.000 0.479 140 G N -1.357 107.239 108.800 -0.340 0.000 2.328 140 G HA2 0.108 3.831 3.960 -0.395 0.000 0.299 140 G HA3 0.108 4.173 3.960 -0.055 -0.138 0.299 140 G C -2.214 172.484 174.900 -0.337 0.000 1.435 140 G CA 0.450 45.377 45.100 -0.288 0.000 0.865 140 G HN 0.020 8.046 8.290 -0.439 0.000 0.601 141 W N 1.432 122.682 121.300 -0.083 0.000 2.937 141 W HA 0.377 4.989 4.660 -0.079 0.000 0.435 141 W C -0.392 176.157 176.519 0.049 0.000 0.912 141 W CA -1.047 56.215 57.345 -0.139 0.000 2.209 141 W CB -0.269 28.899 29.460 -0.486 0.000 1.144 141 W HN 0.604 8.931 8.180 0.245 0.000 0.762 142 G N 0.729 109.703 108.800 0.290 0.000 2.563 142 G HA2 0.016 4.304 3.960 0.535 0.000 0.283 142 G HA3 0.016 4.326 3.960 0.298 -0.171 0.283 142 G C -1.236 173.845 174.900 0.302 0.000 1.309 142 G CA -0.994 44.333 45.100 0.378 0.000 1.022 142 G HN -0.517 8.000 8.290 0.173 -0.123 0.501 143 N N -0.802 118.031 118.700 0.221 0.000 2.353 143 N HA -0.270 4.301 4.740 -0.581 -0.179 0.248 143 N C 0.956 176.414 175.510 -0.088 0.000 1.240 143 N CA 0.898 53.829 53.050 -0.197 0.000 0.862 143 N CB 0.757 39.114 38.487 -0.218 0.000 1.086 143 N HN 0.180 8.780 8.380 0.366 0.000 0.453 144 T N -0.111 114.362 114.554 -0.134 0.000 3.023 144 T HA 0.223 4.723 4.350 -0.032 -0.170 0.253 144 T C 0.152 174.816 174.700 -0.059 0.000 1.038 144 T CA 0.511 62.574 62.100 -0.062 0.000 0.962 144 T CB 1.796 70.637 68.868 -0.045 0.000 1.018 144 T HN 0.333 8.436 8.240 -0.230 0.000 0.521 145 K N 2.456 122.803 120.400 -0.089 0.000 2.156 145 K HA 0.218 4.515 4.320 -0.038 0.000 0.254 145 K C -0.245 176.331 176.600 -0.039 0.000 0.950 145 K CA -0.955 55.297 56.287 -0.059 0.000 0.849 145 K CB 2.095 34.552 32.500 -0.071 0.000 1.100 145 K HN -0.703 7.741 8.250 -0.147 -0.283 0.434 146 S N 0.147 115.838 115.700 -0.015 0.000 2.456 146 S HA -0.068 4.408 4.470 0.010 0.000 0.224 146 S C -0.022 174.580 174.600 0.004 0.000 1.035 146 S CA 1.731 59.933 58.200 0.004 0.000 0.940 146 S CB 0.826 64.034 63.200 0.013 0.000 0.799 146 S HN 0.104 8.405 8.310 -0.014 0.000 0.508 147 S N 1.861 117.558 115.700 -0.004 0.000 2.328 147 S HA 0.194 4.668 4.470 0.007 0.000 0.204 147 S C -0.711 173.883 174.600 -0.010 0.000 1.475 147 S CA -0.120 58.080 58.200 -0.000 0.000 1.148 147 S CB -0.637 62.564 63.200 0.003 0.000 1.077 147 S HN -0.450 7.855 8.310 -0.009 0.000 0.479 148 G N 1.449 110.241 108.800 -0.014 0.000 2.354 148 G HA2 -0.182 3.775 3.960 -0.006 0.000 0.582 148 G HA3 -0.182 3.765 3.960 -0.022 0.000 0.582 148 G C -2.777 172.086 174.900 -0.063 0.000 1.316 148 G CA -0.721 44.366 45.100 -0.022 0.000 0.995 148 G HN -0.390 7.895 8.290 -0.008 0.000 0.573 149 T N -3.507 111.000 114.554 -0.078 0.000 2.823 149 T HA 0.097 4.421 4.350 -0.335 -0.175 0.279 149 T C -1.260 173.287 174.700 -0.257 0.000 0.998 149 T CA -1.838 60.128 62.100 -0.223 0.000 0.994 149 T CB 2.154 70.987 68.868 -0.060 0.000 0.960 149 T HN -0.219 7.999 8.240 -0.037 0.000 0.448 150 S N 3.571 119.004 115.700 -0.444 0.000 2.706 150 S HA 0.194 4.602 4.470 -0.103 0.000 0.270 150 S C -2.213 172.171 174.600 -0.359 0.000 1.163 150 S CA 0.057 58.119 58.200 -0.230 0.000 1.042 150 S CB 1.239 64.365 63.200 -0.122 0.000 1.079 150 S HN 0.818 9.106 8.310 -0.692 -0.394 0.474 151 Y N 5.487 125.824 120.300 0.062 0.000 2.341 151 Y HA 0.310 4.913 4.550 0.088 0.000 0.337 151 Y C -0.819 175.127 175.900 0.077 0.000 1.014 151 Y CA -2.834 55.315 58.100 0.081 0.000 1.111 151 Y CB 1.355 39.872 38.460 0.095 0.000 1.194 151 Y HN 0.156 8.514 8.280 0.131 0.000 0.462 152 P HA 0.367 4.863 4.420 0.127 0.000 0.279 152 P C -1.554 175.867 177.300 0.201 0.000 1.276 152 P CA -0.847 62.354 63.100 0.169 0.000 0.801 152 P CB 2.095 33.869 31.700 0.123 0.000 1.127 153 D N -2.707 117.790 120.400 0.162 0.000 2.259 153 D HA -0.090 4.612 4.640 0.104 0.000 0.216 153 D C -1.076 175.368 176.300 0.240 0.000 0.961 153 D CA 1.510 55.595 54.000 0.141 0.000 0.878 153 D CB 0.857 41.714 40.800 0.094 0.000 1.009 153 D HN 0.370 8.818 8.370 0.130 0.000 0.490 154 V N -7.376 112.671 119.914 0.221 0.000 2.973 154 V HA 0.607 5.216 4.120 0.376 -0.263 0.314 154 V C -0.618 175.532 176.094 0.094 0.000 1.066 154 V CA -2.603 59.838 62.300 0.236 0.000 1.021 154 V CB 1.793 33.678 31.823 0.104 0.000 1.076 154 V HN -0.876 7.405 8.190 0.152 0.000 0.462 155 L N 1.417 122.565 121.223 -0.124 0.000 2.455 155 L HA -0.050 3.503 4.340 -1.312 0.000 0.272 155 L C -0.336 176.280 176.870 -0.423 0.000 1.174 155 L CA 0.794 55.221 54.840 -0.688 0.000 0.869 155 L CB 0.478 42.120 42.059 -0.694 0.000 1.130 155 L HN -0.133 8.319 8.230 0.060 -0.185 0.474 156 K N 5.797 125.928 120.400 -0.448 0.000 2.208 156 K HA 0.671 4.950 4.320 -0.333 -0.159 0.247 156 K C -1.153 175.191 176.600 -0.427 0.000 0.953 156 K CA -2.512 53.564 56.287 -0.350 0.000 0.837 156 K CB 2.576 34.940 32.500 -0.227 0.000 1.131 156 K HN -0.240 7.673 8.250 -0.562 0.000 0.431 157 c N -0.559 117.676 118.600 -0.608 0.000 2.779 157 c HA 0.985 5.506 4.570 -0.390 -0.184 0.314 157 c C -1.745 171.994 174.090 -0.585 0.000 1.231 157 c CA -0.873 55.062 56.329 -0.656 0.000 1.652 157 c CB 3.673 45.634 42.510 -0.916 0.000 2.198 157 c HN 0.830 8.508 8.230 -0.737 0.109 0.483 158 L N -0.063 121.029 121.223 -0.219 0.000 2.513 158 L HA 0.366 4.775 4.340 0.115 0.000 0.261 158 L C -2.490 174.455 176.870 0.125 0.000 0.945 158 L CA 0.184 55.041 54.840 0.029 0.000 0.848 158 L CB 4.475 46.564 42.059 0.049 0.000 1.334 158 L HN 0.621 8.753 8.230 -0.163 0.000 0.407 159 K N 5.609 126.140 120.400 0.219 0.000 2.213 159 K HA 0.637 5.207 4.320 0.128 -0.173 0.270 159 K C -1.085 175.638 176.600 0.205 0.000 1.002 159 K CA -1.193 55.203 56.287 0.181 0.000 0.868 159 K CB 0.962 33.572 32.500 0.184 0.000 1.093 159 K HN 0.367 8.780 8.250 0.273 0.000 0.454 160 A N 4.549 127.425 122.820 0.093 0.000 2.486 160 A HA 0.650 4.943 4.320 -0.044 0.000 0.300 160 A C -3.364 174.142 177.584 -0.131 0.000 1.048 160 A CA -2.849 49.169 52.037 -0.032 0.000 0.696 160 A CB 3.198 22.183 19.000 -0.024 0.000 1.278 160 A HN 1.023 9.200 8.150 0.045 0.000 0.405 161 P HA 0.702 5.266 4.420 -0.112 -0.211 0.286 161 P C -0.854 176.367 177.300 -0.132 0.000 1.261 161 P CA -1.350 61.654 63.100 -0.160 0.000 0.821 161 P CB 1.335 32.941 31.700 -0.157 0.000 1.013 162 I N 1.186 121.694 120.570 -0.104 0.000 2.648 162 I HA -0.174 4.106 4.170 0.028 -0.094 0.284 162 I C -0.096 175.996 176.117 -0.040 0.000 1.153 162 I CA 1.213 62.472 61.300 -0.068 0.000 1.426 162 I CB 0.219 38.093 38.000 -0.209 0.000 1.381 162 I HN 0.285 8.426 8.210 -0.116 0.000 0.571 163 L N 5.908 127.146 121.223 0.024 0.000 2.358 163 L HA 0.347 4.675 4.340 -0.021 0.000 0.268 163 L C -0.217 176.665 176.870 0.021 0.000 1.032 163 L CA -1.415 53.432 54.840 0.011 0.000 0.805 163 L CB 1.213 43.289 42.059 0.029 0.000 1.253 163 L HN 0.453 8.643 8.230 0.103 0.102 0.452 164 S N -1.681 114.026 115.700 0.011 0.000 2.585 164 S HA -0.099 4.374 4.470 0.005 0.000 0.273 164 S C 0.428 175.049 174.600 0.035 0.000 1.339 164 S CA -0.961 57.248 58.200 0.014 0.000 1.028 164 S CB 1.734 64.938 63.200 0.006 0.000 0.906 164 S HN -0.032 8.281 8.310 0.005 0.000 0.528 165 D N 2.043 122.464 120.400 0.036 0.000 2.144 165 D HA -0.247 4.437 4.640 0.074 0.000 0.199 165 D C 1.728 178.057 176.300 0.049 0.000 0.984 165 D CA 3.272 57.304 54.000 0.053 0.000 0.834 165 D CB -0.264 40.564 40.800 0.046 0.000 0.955 165 D HN 0.564 8.948 8.370 0.024 0.000 0.465 166 S N -1.315 114.405 115.700 0.033 0.000 2.368 166 S HA -0.312 4.178 4.470 0.033 0.000 0.225 166 S C 2.185 176.802 174.600 0.029 0.000 1.030 166 S CA 3.651 61.869 58.200 0.029 0.000 0.999 166 S CB -0.289 62.923 63.200 0.019 0.000 0.844 166 S HN 0.059 8.378 8.310 0.026 0.007 0.459 167 S N 3.444 119.160 115.700 0.026 0.000 2.383 167 S HA -0.224 4.251 4.470 0.009 0.000 0.227 167 S C 1.878 176.496 174.600 0.031 0.000 1.026 167 S CA 3.834 62.046 58.200 0.019 0.000 0.981 167 S CB -0.173 63.036 63.200 0.014 0.000 0.818 167 S HN -0.553 7.772 8.310 0.025 0.000 0.472 168 c N 3.707 122.343 118.600 0.061 0.000 2.442 168 c HA -0.313 4.327 4.570 0.117 0.000 0.279 168 c C 1.635 175.801 174.090 0.126 0.000 1.237 168 c CA 2.886 59.280 56.329 0.108 0.000 1.722 168 c CB -1.664 40.919 42.510 0.121 0.000 2.056 168 c HN -0.130 8.060 8.230 0.059 0.075 0.469 169 K N -1.451 119.011 120.400 0.102 0.000 2.211 169 K HA -0.303 4.105 4.320 0.145 0.000 0.203 169 K C 2.382 179.025 176.600 0.071 0.000 1.050 169 K CA 2.956 59.305 56.287 0.103 0.000 0.945 169 K CB -0.326 32.222 32.500 0.079 0.000 0.732 169 K HN 0.207 8.508 8.250 0.086 0.000 0.451 170 S N -1.527 114.196 115.700 0.037 0.000 2.414 170 S HA -0.153 4.327 4.470 0.018 0.000 0.227 170 S C 1.164 175.747 174.600 -0.028 0.000 1.022 170 S CA 2.362 60.567 58.200 0.009 0.000 0.958 170 S CB 0.005 63.205 63.200 -0.000 0.000 0.797 170 S HN -0.371 7.834 8.310 0.037 0.127 0.493 171 A N 0.373 123.154 122.820 -0.065 0.000 1.872 171 A HA -0.114 4.068 4.320 -0.231 0.000 0.214 171 A C 0.105 177.479 177.584 -0.350 0.000 1.187 171 A CA 2.176 54.060 52.037 -0.256 0.000 0.614 171 A CB 0.768 19.561 19.000 -0.345 0.000 0.826 171 A HN -0.587 7.434 8.150 -0.021 0.117 0.442 172 Y N -5.088 115.252 120.300 0.068 0.000 2.726 172 Y HA 0.464 5.092 4.550 0.129 0.000 0.367 172 Y C -2.370 173.594 175.900 0.106 0.000 1.038 172 Y CA -3.579 54.596 58.100 0.125 0.000 1.174 172 Y CB -0.520 38.059 38.460 0.199 0.000 1.265 172 Y HN -0.374 7.979 8.280 0.122 0.000 0.622 173 P HA -0.088 4.523 4.420 0.110 -0.125 0.264 173 P C 0.856 178.227 177.300 0.117 0.000 1.193 173 P CA 0.960 64.129 63.100 0.114 0.000 0.763 173 P CB 0.057 31.796 31.700 0.065 0.000 0.810 174 G N 4.283 113.144 108.800 0.101 0.000 2.168 174 G HA2 -0.372 3.626 3.960 0.063 0.000 0.263 174 G HA3 -0.372 3.624 3.960 0.059 0.000 0.263 174 G C 0.135 175.087 174.900 0.088 0.000 0.977 174 G CA 0.643 45.789 45.100 0.077 0.000 0.659 174 G HN 0.534 8.882 8.290 0.097 0.000 0.533 175 Q N -2.347 117.543 119.800 0.150 0.000 2.189 175 Q HA 0.087 4.462 4.340 0.059 0.000 0.223 175 Q C -0.603 175.534 176.000 0.227 0.000 0.828 175 Q CA -0.485 55.410 55.803 0.153 0.000 0.967 175 Q CB 1.444 30.305 28.738 0.205 0.000 1.139 175 Q HN -0.364 7.962 8.270 0.195 0.061 0.497 176 I N 0.235 120.930 120.570 0.208 0.000 2.336 176 I HA 0.044 4.359 4.170 0.242 0.000 0.292 176 I C -0.189 176.005 176.117 0.129 0.000 0.991 176 I CA -1.912 59.502 61.300 0.191 0.000 1.227 176 I CB -0.325 37.777 38.000 0.169 0.000 1.366 176 I HN -0.399 7.919 8.210 0.180 0.000 0.466 177 T N 2.310 116.937 114.554 0.121 0.000 2.889 177 T HA 0.355 4.745 4.350 0.067 0.000 0.278 177 T C 0.467 175.216 174.700 0.083 0.000 0.995 177 T CA -2.082 60.068 62.100 0.083 0.000 0.966 177 T CB 2.379 71.289 68.868 0.070 0.000 1.237 177 T HN -0.395 7.933 8.240 0.147 0.000 0.591 178 S N -2.491 113.244 115.700 0.058 0.000 2.607 178 S HA -0.127 4.382 4.470 0.066 0.000 0.224 178 S C -0.207 174.431 174.600 0.063 0.000 0.969 178 S CA 1.313 59.544 58.200 0.053 0.000 0.927 178 S CB -0.170 63.044 63.200 0.022 0.000 0.772 178 S HN 0.212 8.547 8.310 0.043 0.000 0.533 179 N N 0.518 119.269 118.700 0.085 0.000 2.273 179 N HA 0.149 4.946 4.740 0.094 0.000 0.231 179 N C -1.889 173.734 175.510 0.188 0.000 1.134 179 N CA -0.473 52.655 53.050 0.129 0.000 0.856 179 N CB 0.924 39.510 38.487 0.165 0.000 1.068 179 N HN -0.594 7.752 8.380 0.087 0.087 0.510 180 M N -0.962 118.737 119.600 0.164 0.000 2.550 180 M HA 0.850 5.597 4.480 0.076 -0.222 0.292 180 M C -2.408 174.004 176.300 0.187 0.000 1.221 180 M CA -0.384 54.988 55.300 0.120 0.000 0.873 180 M CB 5.138 37.788 32.600 0.084 0.000 1.727 180 M HN -0.812 7.471 8.290 0.147 0.095 0.459 181 F N -5.697 114.293 119.950 0.067 0.000 2.662 181 F HA 0.630 5.185 4.527 0.045 0.000 0.312 181 F C -2.733 173.115 175.800 0.080 0.000 1.113 181 F CA -1.775 56.262 58.000 0.062 0.000 0.951 181 F CB 2.594 41.628 39.000 0.056 0.000 1.344 181 F HN 0.124 8.293 8.300 -0.217 0.000 0.462 182 c N -0.395 118.389 118.600 0.307 0.000 2.493 182 c HA 1.037 5.880 4.570 0.110 -0.207 0.326 182 c C -1.273 173.006 174.090 0.315 0.000 1.200 182 c CA -1.120 55.331 56.329 0.204 0.000 1.739 182 c CB 3.340 45.932 42.510 0.136 0.000 2.300 182 c HN 0.810 9.250 8.230 0.350 0.000 0.500 183 A N 2.413 125.403 122.820 0.284 0.000 2.466 183 A HA 0.667 5.170 4.320 0.072 -0.139 0.284 183 A C -2.415 175.218 177.584 0.083 0.000 1.049 183 A CA -0.324 51.796 52.037 0.139 0.000 0.760 183 A CB 2.789 21.806 19.000 0.028 0.000 1.274 183 A HN 0.252 8.598 8.150 0.327 0.000 0.412 184 Y N 2.816 123.152 120.300 0.060 0.000 2.327 184 Y HA 0.017 4.589 4.550 0.037 0.000 0.336 184 Y C 0.127 176.046 175.900 0.032 0.000 1.035 184 Y CA 0.251 58.375 58.100 0.041 0.000 1.165 184 Y CB 1.257 39.739 38.460 0.037 0.000 1.181 184 Y HN -0.023 8.394 8.280 0.229 0.000 0.494 185 L N 1.445 122.746 121.223 0.130 0.000 2.395 185 L HA -0.191 4.183 4.340 0.057 0.000 0.218 185 L C 1.128 178.045 176.870 0.079 0.000 1.130 185 L CA 1.665 56.549 54.840 0.073 0.000 0.826 185 L CB -0.136 41.945 42.059 0.036 0.000 0.941 185 L HN 0.334 8.631 8.230 0.112 0.000 0.451 186 E N -1.678 118.588 120.200 0.110 0.000 2.285 186 E HA -0.125 4.254 4.350 0.048 0.000 0.194 186 E C 0.688 177.324 176.600 0.061 0.000 0.997 186 E CA 0.454 56.896 56.400 0.070 0.000 0.845 186 E CB -0.231 29.505 29.700 0.059 0.000 0.782 186 E HN 0.154 8.571 8.360 0.164 0.041 0.491 187 G N 0.789 109.644 108.800 0.092 0.000 3.391 187 G HA2 -0.354 3.662 3.960 0.094 0.000 0.683 187 G HA3 -0.354 3.635 3.960 0.049 0.000 0.683 187 G C -0.789 174.134 174.900 0.037 0.000 1.071 187 G CA -0.330 44.812 45.100 0.071 0.000 0.904 187 G HN -0.752 7.486 8.290 0.148 0.141 0.452 188 K N 1.885 122.285 120.400 0.000 0.000 5.919 188 K HA -0.603 3.866 4.320 0.023 -0.135 0.658 188 K C -1.314 175.385 176.600 0.166 0.000 2.204 188 K CA 0.621 56.929 56.287 0.034 0.000 1.592 188 K CB -0.119 32.311 32.500 -0.117 0.000 1.855 188 K HN 0.088 8.351 8.250 0.022 0.000 0.277 189 D N 0.384 120.867 120.400 0.138 0.000 2.725 189 D HA 0.292 5.059 4.640 0.212 0.000 0.292 189 D C -1.868 174.509 176.300 0.129 0.000 1.288 189 D CA -0.734 53.361 54.000 0.159 0.000 0.784 189 D CB 4.377 45.254 40.800 0.128 0.000 1.308 189 D HN 0.044 8.472 8.370 0.096 0.000 0.429 190 S N -1.715 114.070 115.700 0.142 0.000 2.707 190 S HA 0.287 4.821 4.470 0.106 0.000 0.276 190 S C -1.354 173.299 174.600 0.089 0.000 1.179 190 S CA -0.510 57.763 58.200 0.123 0.000 0.992 190 S CB 1.717 65.020 63.200 0.172 0.000 1.030 190 S HN 0.275 8.682 8.310 0.161 0.000 0.554 191 c N -1.688 116.970 118.600 0.098 0.000 3.293 191 c HA 0.278 4.900 4.570 0.088 0.000 0.362 191 c C -1.535 172.646 174.090 0.152 0.000 1.539 191 c CA -0.590 55.801 56.329 0.104 0.000 1.201 191 c CB 2.807 45.368 42.510 0.085 0.000 1.770 191 c HN 0.223 8.810 8.230 0.112 -0.290 0.440 192 Q N 1.778 121.683 119.800 0.176 0.000 2.333 192 Q HA -0.307 4.167 4.340 0.223 0.000 0.299 192 Q C 1.008 177.195 176.000 0.313 0.000 1.067 192 Q CA 2.148 58.092 55.803 0.236 0.000 0.943 192 Q CB 0.703 29.584 28.738 0.238 0.000 1.233 192 Q HN 0.534 8.892 8.270 0.148 0.000 0.401 193 G N 6.083 115.059 108.800 0.294 0.000 2.284 193 G HA2 -0.412 3.871 3.960 0.265 0.000 0.230 193 G HA3 -0.412 3.818 3.960 0.449 0.000 0.230 193 G C 0.853 175.967 174.900 0.356 0.000 1.021 193 G CA 1.194 46.504 45.100 0.349 0.000 0.619 193 G HN 0.824 9.268 8.290 0.257 0.000 0.510 194 D N 2.114 122.670 120.400 0.260 0.000 2.305 194 D HA 0.042 4.820 4.640 0.229 0.000 0.206 194 D C 0.208 176.597 176.300 0.148 0.000 0.974 194 D CA 1.146 55.266 54.000 0.200 0.000 0.871 194 D CB 0.581 41.471 40.800 0.150 0.000 0.947 194 D HN -0.112 8.289 8.370 0.243 0.114 0.516 195 S N -0.380 115.402 115.700 0.136 0.000 2.599 195 S HA -0.612 4.061 4.470 0.096 -0.145 0.303 195 S C 0.925 175.509 174.600 -0.026 0.000 1.267 195 S CA 2.647 60.890 58.200 0.072 0.000 1.055 195 S CB 0.091 63.334 63.200 0.072 0.000 0.790 195 S HN -0.462 7.912 8.310 0.174 0.041 0.500 196 G N 4.848 113.622 108.800 -0.043 0.000 2.253 196 G HA2 -0.456 3.546 3.960 -0.062 0.000 0.251 196 G HA3 -0.456 3.556 3.960 -0.095 -0.108 0.251 196 G C -0.284 174.633 174.900 0.028 0.000 0.998 196 G CA 0.215 45.286 45.100 -0.049 0.000 0.621 196 G HN 0.874 9.053 8.290 -0.014 0.102 0.524 197 G N 0.723 109.566 108.800 0.072 0.000 2.563 197 G HA2 0.453 4.550 3.960 0.109 0.000 0.283 197 G HA3 0.453 4.481 3.960 0.113 0.000 0.283 197 G C -2.721 172.258 174.900 0.131 0.000 1.309 197 G CA -2.041 43.124 45.100 0.108 0.000 1.022 197 G HN -0.107 8.143 8.290 0.077 0.085 0.501 198 P HA 0.379 5.013 4.420 0.128 -0.136 0.284 198 P C -1.666 175.704 177.300 0.116 0.000 1.258 198 P CA -0.996 62.194 63.100 0.151 0.000 0.824 198 P CB 1.887 33.732 31.700 0.241 0.000 1.038 199 V N 2.102 122.063 119.914 0.078 0.000 2.398 199 V HA 0.323 4.613 4.120 -0.004 -0.173 0.282 199 V C -1.020 175.083 176.094 0.016 0.000 1.014 199 V CA -0.454 61.853 62.300 0.012 0.000 0.838 199 V CB 1.673 33.468 31.823 -0.046 0.000 1.018 199 V HN -0.297 7.943 8.190 0.083 0.000 0.432 200 V N 8.288 128.204 119.914 0.003 0.000 2.435 200 V HA 0.642 4.925 4.120 -0.070 -0.204 0.290 200 V C -1.325 174.749 176.094 -0.033 0.000 1.030 200 V CA -1.269 61.005 62.300 -0.044 0.000 0.881 200 V CB 2.701 34.477 31.823 -0.078 0.000 0.983 200 V HN 0.496 8.705 8.190 0.032 0.000 0.445 201 c N 7.194 125.761 118.600 -0.055 0.000 2.441 201 c HA 0.589 5.135 4.570 -0.040 0.000 0.318 201 c C 0.254 174.313 174.090 -0.052 0.000 1.222 201 c CA -1.315 54.980 56.329 -0.056 0.000 1.474 201 c CB 2.498 44.954 42.510 -0.090 0.000 2.125 201 c HN 0.628 8.819 8.230 -0.067 0.000 0.479 202 S N 5.002 120.679 115.700 -0.037 0.000 3.549 202 S HA -0.360 4.098 4.470 -0.020 0.000 0.366 202 S C 0.349 174.929 174.600 -0.033 0.000 1.012 202 S CA 1.067 59.249 58.200 -0.031 0.000 1.141 202 S CB -1.257 61.921 63.200 -0.037 0.000 0.910 202 S HN 1.131 9.423 8.310 -0.029 0.000 0.471 203 G N -5.336 103.443 108.800 -0.035 0.000 2.155 203 G HA2 -0.358 3.572 3.960 -0.049 0.000 0.257 203 G HA3 -0.358 3.583 3.960 -0.032 0.000 0.257 203 G C -0.813 174.037 174.900 -0.084 0.000 0.983 203 G CA 0.461 45.532 45.100 -0.049 0.000 0.676 203 G HN 0.279 8.538 8.290 -0.027 0.016 0.528 210 Q N 1.136 120.953 119.800 0.028 0.000 2.396 210 Q HA 0.207 4.580 4.340 0.055 0.000 0.220 210 Q C -0.125 176.037 176.000 0.271 0.000 0.900 210 Q CA 0.230 56.071 55.803 0.064 0.000 0.925 210 Q CB 2.787 31.482 28.738 -0.072 0.000 1.065 210 Q HN 0.353 8.629 8.270 0.010 0.000 0.535 211 G N -3.007 105.971 108.800 0.296 0.000 2.733 211 G HA2 0.643 5.086 3.960 0.428 0.000 0.288 211 G HA3 0.643 4.859 3.960 0.426 0.000 0.288 211 G C -3.091 171.928 174.900 0.199 0.000 1.373 211 G CA -0.958 44.359 45.100 0.361 0.000 0.895 211 G HN -0.234 8.161 8.290 0.174 0.000 0.479 212 I N -1.279 119.402 120.570 0.184 0.000 2.499 212 I HA 0.561 5.057 4.170 0.147 -0.237 0.288 212 I C -0.443 175.788 176.117 0.190 0.000 1.048 212 I CA -1.299 60.090 61.300 0.149 0.000 1.062 212 I CB 4.319 42.367 38.000 0.080 0.000 1.238 212 I HN -0.432 7.873 8.210 0.159 0.000 0.426 213 V N 7.609 127.648 119.914 0.208 0.000 2.509 213 V HA -0.246 3.920 4.120 0.078 0.000 0.297 213 V C -1.197 174.896 176.094 -0.001 0.000 1.014 213 V CA 2.228 64.597 62.300 0.114 0.000 1.127 213 V CB -0.928 30.983 31.823 0.147 0.000 0.925 213 V HN 0.657 8.844 8.190 0.186 0.115 0.480 214 S N 7.443 123.050 115.700 -0.154 0.000 3.334 214 S HA 0.303 4.923 4.470 0.250 0.000 0.224 214 S C -0.922 173.786 174.600 0.180 0.000 0.959 214 S CA 0.916 59.169 58.200 0.089 0.000 0.815 214 S CB 2.356 65.600 63.200 0.073 0.000 0.861 214 S HN -0.095 7.915 8.310 -0.500 0.000 0.596 215 W N -4.281 116.879 121.300 -0.235 0.000 2.874 215 W HA 0.269 4.842 4.660 -0.145 0.000 0.403 215 W C -3.030 173.322 176.519 -0.278 0.000 1.144 215 W CA -0.651 56.564 57.345 -0.216 0.000 1.175 215 W CB 0.647 29.974 29.460 -0.222 0.000 1.483 215 W HN -0.204 7.650 8.180 -0.544 0.000 0.591 216 G N -3.136 105.713 108.800 0.082 0.000 2.349 216 G HA2 0.092 3.728 3.960 -0.540 0.000 0.294 216 G HA3 0.092 3.989 3.960 -0.105 0.000 0.294 216 G C -2.449 172.607 174.900 0.260 0.000 1.380 216 G CA 0.235 45.286 45.100 -0.083 0.000 0.811 216 G HN -0.040 8.497 8.290 0.412 0.000 0.519 220 c N 1.908 120.550 118.600 0.071 0.000 3.465 220 c HA 0.277 5.028 4.570 0.074 -0.136 0.193 220 c C -1.383 172.743 174.090 0.060 0.000 1.515 220 c CA -1.061 55.308 56.329 0.066 0.000 1.340 220 c CB -1.607 40.936 42.510 0.056 0.000 1.928 220 c HN 0.314 8.580 8.230 0.061 0.000 0.510 221 Q N -1.404 118.432 119.800 0.061 0.000 2.889 221 Q HA 0.102 4.465 4.340 0.038 0.000 0.262 221 Q C -1.161 174.863 176.000 0.040 0.000 0.966 221 Q CA -0.695 55.135 55.803 0.046 0.000 0.858 221 Q CB 2.070 30.837 28.738 0.047 0.000 1.845 221 Q HN 0.080 8.393 8.270 0.072 0.000 0.464 222 K N 3.724 124.140 120.400 0.027 0.000 2.436 222 K HA -0.273 4.180 4.320 0.034 -0.113 0.275 222 K C 0.264 176.863 176.600 -0.001 0.000 0.999 222 K CA 0.932 57.232 56.287 0.020 0.000 0.980 222 K CB 0.080 32.589 32.500 0.014 0.000 0.919 222 K HN 0.273 8.538 8.250 0.024 0.000 0.484 223 N N 2.148 120.844 118.700 -0.007 0.000 2.713 223 N HA -0.481 4.235 4.740 -0.039 0.000 0.251 223 N C -1.620 173.818 175.510 -0.119 0.000 1.117 223 N CA 1.733 54.752 53.050 -0.051 0.000 0.770 223 N CB -0.482 37.971 38.487 -0.057 0.000 1.137 223 N HN 0.680 8.953 8.380 0.015 0.115 0.566 224 K N -2.307 118.050 120.400 -0.071 0.000 2.679 224 K HA 0.544 4.632 4.320 -0.387 0.000 0.188 224 K C -2.364 174.282 176.600 0.078 0.000 1.055 224 K CA -3.516 52.715 56.287 -0.094 0.000 1.006 224 K CB -0.182 32.331 32.500 0.022 0.000 1.317 224 K HN -0.735 7.461 8.250 -0.009 0.049 0.584 225 P HA -0.038 4.451 4.420 0.114 0.000 0.274 225 P C -0.414 176.950 177.300 0.108 0.000 1.260 225 P CA -0.393 62.781 63.100 0.124 0.000 0.793 225 P CB 1.179 32.939 31.700 0.100 0.000 1.048 226 G N -2.369 106.452 108.800 0.034 0.000 2.539 226 G HA2 0.318 4.089 3.960 -0.316 0.000 0.258 226 G HA3 0.318 4.122 3.960 -0.260 0.000 0.258 226 G C -1.842 172.739 174.900 -0.530 0.000 1.202 226 G CA -0.684 44.255 45.100 -0.268 0.000 0.851 226 G HN -0.383 7.985 8.290 0.129 0.000 0.556 227 V N 0.908 120.183 119.914 -1.065 0.000 2.555 227 V HA 0.709 4.624 4.120 -0.648 -0.184 0.302 227 V C -0.978 174.374 176.094 -1.236 0.000 1.038 227 V CA -1.070 60.569 62.300 -1.101 0.000 0.887 227 V CB 2.578 33.295 31.823 -1.844 0.000 0.991 227 V HN 0.727 8.141 8.190 -1.129 0.099 0.434 228 Y N 4.876 124.750 120.300 -0.711 0.000 2.524 228 Y HA 0.558 5.001 4.550 -0.413 -0.141 0.344 228 Y C 0.279 175.862 175.900 -0.527 0.000 1.012 228 Y CA -2.203 55.478 58.100 -0.698 0.000 1.068 228 Y CB 3.806 41.549 38.460 -1.196 0.000 1.249 228 Y HN 0.968 8.885 8.280 -0.604 0.000 0.468 229 T N 4.725 119.225 114.554 -0.089 0.000 2.814 229 T HA 0.050 4.605 4.350 0.091 -0.150 0.297 229 T C -0.708 174.111 174.700 0.199 0.000 0.956 229 T CA 1.330 63.471 62.100 0.069 0.000 1.123 229 T CB 0.471 69.371 68.868 0.054 0.000 0.902 229 T HN 0.264 8.485 8.240 -0.031 0.000 0.528 230 K N 8.617 129.223 120.400 0.343 0.000 2.171 230 K HA 0.053 4.792 4.320 0.698 0.000 0.274 230 K C 0.936 177.789 176.600 0.422 0.000 1.110 230 K CA -0.389 56.182 56.287 0.474 0.000 0.952 230 K CB -0.326 32.399 32.500 0.375 0.000 1.309 230 K HN 0.193 8.519 8.250 0.311 0.111 0.414 231 V N 6.288 126.435 119.914 0.388 0.000 2.324 231 V HA -0.561 3.862 4.120 0.506 0.000 0.250 231 V C 1.349 177.609 176.094 0.277 0.000 1.060 231 V CA 4.122 66.638 62.300 0.361 0.000 1.042 231 V CB -0.226 31.738 31.823 0.235 0.000 0.650 231 V HN 0.139 8.570 8.190 0.402 0.000 0.450 232 c N -3.517 115.176 118.600 0.156 0.000 2.403 232 c HA -0.269 4.345 4.570 0.074 0.000 0.282 232 c C 1.925 176.035 174.090 0.033 0.000 1.297 232 c CA 1.903 58.276 56.329 0.074 0.000 1.785 232 c CB -2.041 40.483 42.510 0.023 0.000 1.963 232 c HN 0.523 8.842 8.230 0.148 0.000 0.507 233 N N 0.825 119.508 118.700 -0.028 0.000 2.515 233 N HA -0.106 4.540 4.740 -0.155 0.000 0.185 233 N C 0.370 175.650 175.510 -0.383 0.000 1.109 233 N CA 1.270 54.169 53.050 -0.252 0.000 0.903 233 N CB -0.325 37.874 38.487 -0.480 0.000 0.969 233 N HN -0.430 7.939 8.380 0.043 0.037 0.450 234 Y N -4.908 115.469 120.300 0.129 0.000 2.500 234 Y HA 0.184 4.892 4.550 0.263 0.000 0.246 234 Y C 0.006 176.039 175.900 0.222 0.000 1.146 234 Y CA -0.605 57.631 58.100 0.228 0.000 1.230 234 Y CB 0.143 38.768 38.460 0.274 0.000 1.214 234 Y HN 0.036 8.231 8.280 0.175 0.190 0.526 235 V N 1.307 121.356 119.914 0.226 0.000 2.332 235 V HA -0.575 3.629 4.120 0.140 0.000 0.248 235 V C 1.364 177.521 176.094 0.106 0.000 1.055 235 V CA 4.997 67.381 62.300 0.139 0.000 1.038 235 V CB -0.606 31.263 31.823 0.077 0.000 0.651 235 V HN -0.873 7.415 8.190 0.164 0.000 0.450 236 S N -0.281 115.488 115.700 0.115 0.000 2.368 236 S HA -0.299 4.191 4.470 0.033 0.000 0.224 236 S C 1.804 176.470 174.600 0.110 0.000 1.029 236 S CA 2.953 61.203 58.200 0.083 0.000 0.988 236 S CB -0.397 62.851 63.200 0.079 0.000 0.838 236 S HN 0.167 8.548 8.310 0.119 0.000 0.462 237 W N 4.451 125.792 121.300 0.069 0.000 2.354 237 W HA -0.155 4.533 4.660 0.047 0.000 0.315 237 W C 1.788 178.325 176.519 0.030 0.000 1.206 237 W CA 2.847 60.243 57.345 0.086 0.000 1.290 237 W CB -0.084 29.518 29.460 0.237 0.000 1.152 237 W HN -0.434 7.972 8.180 0.377 0.000 0.489 238 I N -0.707 119.818 120.570 -0.075 0.000 2.099 238 I HA -0.780 2.943 4.170 -0.744 0.000 0.239 238 I C 1.720 177.594 176.117 -0.404 0.000 1.066 238 I CA 4.609 65.693 61.300 -0.359 0.000 1.324 238 I CB -0.291 37.668 38.000 -0.068 0.000 1.037 238 I HN 0.490 8.868 8.210 0.280 0.000 0.401 239 K N -1.232 119.033 120.400 -0.226 0.000 2.032 239 K HA -0.451 3.712 4.320 -0.262 0.000 0.209 239 K C 2.803 179.252 176.600 -0.251 0.000 1.048 239 K CA 3.747 59.901 56.287 -0.221 0.000 0.927 239 K CB -0.394 32.037 32.500 -0.115 0.000 0.712 239 K HN -0.319 7.863 8.250 -0.114 0.000 0.441 240 Q N -2.070 117.597 119.800 -0.222 0.000 2.084 240 Q HA -0.312 3.940 4.340 -0.147 0.000 0.202 240 Q C 2.630 178.454 176.000 -0.292 0.000 0.978 240 Q CA 3.429 59.115 55.803 -0.194 0.000 0.844 240 Q CB 0.026 28.697 28.738 -0.111 0.000 0.898 240 Q HN 0.153 8.314 8.270 -0.181 0.000 0.426 241 T N 2.947 117.208 114.554 -0.489 0.000 2.674 241 T HA -0.269 3.867 4.350 -0.356 0.000 0.265 241 T C 2.488 176.873 174.700 -0.525 0.000 1.039 241 T CA 4.774 66.549 62.100 -0.541 0.000 1.150 241 T CB -0.180 68.113 68.868 -0.959 0.000 0.864 241 T HN 0.075 7.951 8.240 -0.607 0.000 0.427 242 I N 1.151 121.279 120.570 -0.737 0.000 2.208 242 I HA -0.504 2.837 4.170 -1.382 0.000 0.245 242 I C 1.812 177.695 176.117 -0.391 0.000 1.097 242 I CA 3.810 64.554 61.300 -0.927 0.000 1.363 242 I CB -0.505 36.864 38.000 -1.052 0.000 1.051 242 I HN 0.175 7.940 8.210 -0.742 0.000 0.413 243 A N -0.633 122.014 122.820 -0.288 0.000 1.972 243 A HA -0.213 4.040 4.320 -0.111 0.000 0.219 243 A C 1.331 178.865 177.584 -0.085 0.000 1.169 243 A CA 2.757 54.708 52.037 -0.144 0.000 0.635 243 A CB -0.455 18.471 19.000 -0.123 0.000 0.810 243 A HN -0.025 7.917 8.150 -0.335 0.007 0.446 244 S N -4.574 111.068 115.700 -0.097 0.000 2.572 244 S HA 0.104 4.562 4.470 -0.019 0.000 0.228 244 S C -1.066 173.543 174.600 0.015 0.000 0.963 244 S CA 0.755 58.933 58.200 -0.036 0.000 0.939 244 S CB 0.776 63.948 63.200 -0.046 0.000 0.804 244 S HN -0.394 7.688 8.310 -0.162 0.130 0.480 245 N N 0.000 118.739 118.700 0.064 0.000 1.763 245 N HA 0.000 4.817 4.740 0.128 0.000 0.220 245 N CA 0.000 53.163 53.050 0.188 0.000 0.885 245 N CB 0.000 38.679 38.487 0.321 0.000 1.341 245 N HN 0.000 8.239 8.380 0.031 0.160 0.667