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 2btc_1_E DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 4.170 4.170 -0.000 0.000 0.288 16 I C 0.000 176.123 176.117 0.009 0.000 1.063 16 I CA 0.000 61.309 61.300 0.015 0.000 1.566 16 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 17 V N 3.959 123.889 119.914 0.027 0.000 2.472 17 V HA 0.707 4.813 4.120 -0.023 0.000 0.290 17 V C 1.070 177.178 176.094 0.022 0.000 1.037 17 V CA 0.469 62.780 62.300 0.018 0.000 0.908 17 V CB 1.389 33.228 31.823 0.027 0.000 0.985 17 V HN 1.136 9.326 8.190 -0.000 0.000 0.454 18 G N 3.423 112.228 108.800 0.008 0.000 2.160 18 G HA2 -0.136 3.809 3.960 -0.023 0.000 0.251 18 G HA3 -0.136 3.809 3.960 -0.023 0.000 0.251 18 G C 0.437 175.353 174.900 0.028 0.000 1.008 18 G CA 0.144 45.248 45.100 0.007 0.000 0.724 18 G HN 1.315 9.605 8.290 -0.000 0.000 0.514 19 G N -0.920 107.889 108.800 0.016 0.000 2.568 19 G HA2 0.868 4.814 3.960 -0.023 0.000 0.293 19 G HA3 0.868 4.814 3.960 -0.023 0.000 0.293 19 G C -0.231 174.705 174.900 0.060 0.000 1.347 19 G CA -0.410 44.694 45.100 0.006 0.000 1.039 19 G HN 1.178 9.468 8.290 -0.000 0.000 0.523 20 Y N -2.963 117.324 120.300 -0.021 0.000 2.686 20 Y HA 0.754 5.291 4.550 -0.022 0.000 0.330 20 Y C -0.057 175.821 175.900 -0.036 0.000 1.082 20 Y CA -1.367 56.719 58.100 -0.024 0.000 1.158 20 Y CB 0.659 39.108 38.460 -0.020 0.000 1.333 20 Y HN 0.380 8.660 8.280 -0.000 0.000 0.519 21 T N 1.205 115.805 114.554 0.077 0.000 2.743 21 T HA 0.169 4.504 4.350 -0.023 0.000 0.293 21 T C 0.637 175.347 174.700 0.016 0.000 0.945 21 T CA -0.523 61.562 62.100 -0.026 0.000 1.030 21 T CB 0.461 69.347 68.868 0.030 0.000 0.912 21 T HN 0.899 9.139 8.240 -0.000 0.000 0.483 22 c N 2.583 121.088 118.600 -0.157 0.000 2.413 22 c HA 0.319 4.875 4.570 -0.023 0.000 0.277 22 c C 1.698 175.799 174.090 0.018 0.000 1.265 22 c CA 0.408 56.685 56.329 -0.086 0.000 1.752 22 c CB -1.643 40.751 42.510 -0.194 0.000 1.998 22 c HN 1.241 9.471 8.230 -0.000 0.000 0.489 23 G N -0.606 108.192 108.800 -0.004 0.000 2.911 23 G HA2 0.399 4.345 3.960 -0.023 0.000 0.686 23 G HA3 0.399 4.345 3.960 -0.023 0.000 0.686 23 G C -0.480 174.416 174.900 -0.006 0.000 1.136 23 G CA -0.485 44.622 45.100 0.013 0.000 0.764 23 G HN 1.046 9.336 8.290 -0.000 0.000 0.626 24 A N 2.326 125.152 122.820 0.010 0.000 2.522 24 A HA 0.522 4.827 4.320 -0.023 0.000 0.256 24 A C 1.479 179.068 177.584 0.007 0.000 1.086 24 A CA 0.987 53.035 52.037 0.018 0.000 0.763 24 A CB -0.173 18.846 19.000 0.031 0.000 1.024 24 A HN 2.001 10.151 8.150 -0.000 0.000 0.502 25 N N 1.089 119.789 118.700 0.001 0.000 2.708 25 N HA -0.202 4.524 4.740 -0.023 0.000 0.251 25 N C 0.915 176.403 175.510 -0.036 0.000 1.123 25 N CA 1.686 54.728 53.050 -0.013 0.000 0.739 25 N CB -1.841 36.652 38.487 0.009 0.000 1.113 25 N HN 1.053 9.433 8.380 -0.000 0.000 0.561 26 T N -3.911 110.613 114.554 -0.049 0.000 3.088 26 T HA 0.191 4.527 4.350 -0.023 0.000 0.259 26 T C 0.843 175.484 174.700 -0.097 0.000 1.122 26 T CA 0.438 62.513 62.100 -0.042 0.000 1.095 26 T CB 0.379 69.240 68.868 -0.013 0.000 0.930 26 T HN 0.045 8.285 8.240 -0.000 0.000 0.508 27 V N 3.878 123.669 119.914 -0.205 0.000 2.260 27 V HA 0.297 4.403 4.120 -0.023 0.000 0.263 27 V C -1.620 174.148 176.094 -0.543 0.000 1.036 27 V CA -1.609 60.415 62.300 -0.460 0.000 0.874 27 V CB 1.189 32.725 31.823 -0.479 0.000 1.116 27 V HN 0.217 8.407 8.190 -0.000 0.000 0.454 28 P HA -0.093 4.327 4.420 -0.000 0.000 0.233 28 P C 0.929 178.181 177.300 -0.079 0.000 1.167 28 P CA 0.885 63.905 63.100 -0.133 0.000 0.770 28 P CB 0.089 31.787 31.700 -0.004 0.000 0.837 29 Y N -1.418 118.906 120.300 0.040 0.000 2.482 29 Y HA 0.386 4.922 4.550 -0.024 0.000 0.270 29 Y C 1.150 177.085 175.900 0.058 0.000 1.152 29 Y CA -1.093 57.035 58.100 0.048 0.000 1.292 29 Y CB -1.277 37.207 38.460 0.039 0.000 1.070 29 Y HN -0.156 8.124 8.280 -0.000 0.000 0.528 30 Q N 2.732 122.401 119.800 -0.219 0.000 2.313 30 Q HA 0.429 4.754 4.340 -0.023 0.000 0.266 30 Q C -0.452 175.624 176.000 0.127 0.000 0.989 30 Q CA -0.390 55.387 55.803 -0.044 0.000 0.890 30 Q CB 1.232 29.847 28.738 -0.204 0.000 1.200 30 Q HN 0.349 8.619 8.270 -0.000 0.000 0.396 31 V N 0.636 120.667 119.914 0.195 0.000 3.001 31 V HA 0.819 4.925 4.120 -0.023 0.000 0.314 31 V C -0.661 175.591 176.094 0.264 0.000 1.099 31 V CA -0.828 61.592 62.300 0.199 0.000 0.989 31 V CB 2.031 33.913 31.823 0.099 0.000 1.040 31 V HN 0.716 8.906 8.190 -0.000 0.000 0.434 32 S N 2.435 118.190 115.700 0.092 0.000 2.451 32 S HA 0.714 5.170 4.470 -0.023 0.000 0.301 32 S C -0.647 173.837 174.600 -0.193 0.000 1.116 32 S CA -0.724 57.456 58.200 -0.033 0.000 1.093 32 S CB 0.475 63.463 63.200 -0.354 0.000 1.017 32 S HN 0.754 9.064 8.310 -0.000 0.000 0.482 33 L N 5.309 126.302 121.223 -0.383 0.000 2.275 33 L HA 0.539 4.865 4.340 -0.023 0.000 0.288 33 L C 0.630 177.109 176.870 -0.651 0.000 1.046 33 L CA -0.667 53.850 54.840 -0.538 0.000 0.805 33 L CB 0.968 42.563 42.059 -0.774 0.000 1.193 33 L HN 0.658 8.888 8.230 -0.000 0.000 0.426 38 G N 0.598 109.336 108.800 -0.105 0.000 2.232 38 G HA2 -0.127 3.819 3.960 -0.023 0.000 0.226 38 G HA3 -0.127 3.819 3.960 -0.023 0.000 0.226 38 G C -0.213 174.799 174.900 0.187 0.000 0.996 38 G CA 0.726 45.862 45.100 0.060 0.000 0.626 38 G HN 1.900 10.190 8.290 -0.000 0.000 0.509 39 Y N -1.762 118.521 120.300 -0.029 0.000 2.656 39 Y HA 0.745 5.274 4.550 -0.036 0.000 0.334 39 Y C -0.399 175.518 175.900 0.027 0.000 1.179 39 Y CA -1.869 56.218 58.100 -0.022 0.000 1.050 39 Y CB 0.130 38.574 38.460 -0.027 0.000 1.308 39 Y HN 0.441 8.721 8.280 -0.000 0.000 0.456 40 H N 1.951 120.976 119.070 -0.075 0.000 2.803 40 H HA 0.340 4.884 4.556 -0.020 0.000 0.330 40 H C -0.148 175.137 175.328 -0.071 0.000 1.057 40 H CA 0.278 56.209 56.048 -0.196 0.000 1.458 40 H CB 0.540 30.154 29.762 -0.246 0.000 1.470 40 H HN 0.664 8.944 8.280 -0.000 0.000 0.560 41 F N 0.893 120.360 119.950 -0.805 0.000 2.876 41 F HA 0.432 4.959 4.527 0.001 0.000 0.344 41 F C -0.546 174.976 175.800 -0.463 0.000 1.029 41 F CA -0.796 56.901 58.000 -0.506 0.000 1.154 41 F CB -0.081 38.687 39.000 -0.388 0.000 1.040 41 F HN 0.441 8.741 8.300 -0.000 0.000 0.576 42 c N 0.673 118.484 118.600 -1.314 0.000 3.288 42 c HA 0.810 5.366 4.570 -0.023 0.000 0.318 42 c C 0.715 174.539 174.090 -0.442 0.000 1.356 42 c CA -0.526 55.409 56.329 -0.657 0.000 1.359 42 c CB 1.180 43.346 42.510 -0.574 0.000 1.688 42 c HN 0.692 8.922 8.230 -0.000 0.000 0.467 43 G N -0.129 108.639 108.800 -0.054 0.000 2.613 43 G HA2 0.834 4.780 3.960 -0.023 0.000 0.303 43 G HA3 0.834 4.780 3.960 -0.023 0.000 0.303 43 G C -0.297 174.610 174.900 0.013 0.000 1.312 43 G CA 0.135 45.302 45.100 0.112 0.000 1.036 43 G HN 1.411 9.701 8.290 -0.000 0.000 0.513 44 G N -1.689 107.158 108.800 0.077 0.000 2.506 44 G HA2 0.612 4.558 3.960 -0.023 0.000 0.292 44 G HA3 0.612 4.558 3.960 -0.023 0.000 0.292 44 G C -1.030 173.946 174.900 0.128 0.000 1.425 44 G CA 0.249 45.390 45.100 0.068 0.000 0.788 44 G HN 1.427 9.717 8.290 -0.000 0.000 0.490 45 S N -0.786 114.997 115.700 0.139 0.000 2.538 45 S HA 0.634 5.090 4.470 -0.023 0.000 0.288 45 S C -0.928 173.772 174.600 0.167 0.000 1.108 45 S CA -0.704 57.617 58.200 0.200 0.000 0.971 45 S CB 1.983 65.306 63.200 0.205 0.000 1.041 45 S HN 1.066 9.376 8.310 -0.000 0.000 0.483 46 L N 3.792 125.131 121.223 0.193 0.000 2.361 46 L HA 0.433 4.759 4.340 -0.023 0.000 0.278 46 L C 0.716 177.672 176.870 0.142 0.000 1.113 46 L CA -0.082 54.853 54.840 0.159 0.000 0.849 46 L CB 0.110 42.261 42.059 0.154 0.000 1.155 46 L HN 0.866 9.096 8.230 -0.000 0.000 0.452 47 I N 1.812 122.461 120.570 0.132 0.000 4.070 47 I HA 0.319 4.474 4.170 -0.023 0.000 0.328 47 I C 0.334 176.508 176.117 0.096 0.000 1.298 47 I CA -0.112 61.243 61.300 0.092 0.000 1.173 47 I CB -0.321 37.719 38.000 0.067 0.000 1.051 47 I HN 0.740 8.950 8.210 -0.000 0.000 0.409 48 N N 0.175 118.959 118.700 0.139 0.000 3.378 48 N HA 0.057 4.783 4.740 -0.023 0.000 0.294 48 N C 0.309 175.898 175.510 0.132 0.000 1.544 48 N CA 0.070 53.195 53.050 0.126 0.000 0.872 48 N CB 0.728 39.293 38.487 0.131 0.000 1.670 48 N HN -0.062 8.318 8.380 -0.000 0.000 0.551 49 S N -0.896 114.869 115.700 0.108 0.000 2.442 49 S HA -0.176 4.280 4.470 -0.023 0.000 0.236 49 S C 1.043 175.674 174.600 0.051 0.000 1.007 49 S CA 1.186 59.431 58.200 0.075 0.000 0.965 49 S CB -0.465 62.769 63.200 0.057 0.000 0.773 49 S HN 0.619 8.929 8.310 -0.000 0.000 0.504 50 Q N -1.327 118.520 119.800 0.078 0.000 2.214 50 Q HA 0.295 4.621 4.340 -0.023 0.000 0.229 50 Q C -1.061 174.769 176.000 -0.283 0.000 0.835 50 Q CA -0.201 55.547 55.803 -0.091 0.000 0.953 50 Q CB 0.548 29.218 28.738 -0.113 0.000 1.131 50 Q HN 0.616 8.886 8.270 -0.000 0.000 0.501 51 W N 0.351 121.653 121.300 0.004 0.000 2.883 51 W HA 0.548 5.194 4.660 -0.024 0.000 0.335 51 W C -0.930 175.596 176.519 0.011 0.000 1.083 51 W CA -0.630 56.714 57.345 -0.002 0.000 1.233 51 W CB 1.496 30.943 29.460 -0.022 0.000 1.412 51 W HN -0.351 7.829 8.180 -0.000 0.000 0.490 52 V N 3.670 123.725 119.914 0.236 0.000 2.628 52 V HA 0.586 4.692 4.120 -0.023 0.000 0.306 52 V C -0.805 175.395 176.094 0.176 0.000 1.045 52 V CA -1.155 61.241 62.300 0.160 0.000 0.905 52 V CB 1.822 33.694 31.823 0.082 0.000 0.997 52 V HN 0.332 8.522 8.190 -0.000 0.000 0.436 53 V N 3.982 123.979 119.914 0.138 0.000 2.581 53 V HA 0.904 5.010 4.120 -0.023 0.000 0.303 53 V C -0.114 176.029 176.094 0.082 0.000 1.041 53 V CA 0.436 62.809 62.300 0.121 0.000 0.907 53 V CB 2.034 33.924 31.823 0.112 0.000 0.994 53 V HN 1.044 9.234 8.190 -0.000 0.000 0.442 54 S N 4.046 119.779 115.700 0.055 0.000 2.790 54 S HA 0.861 5.317 4.470 -0.023 0.000 0.292 54 S C -0.579 173.991 174.600 -0.049 0.000 1.197 54 S CA -0.036 58.164 58.200 -0.001 0.000 0.851 54 S CB 1.519 64.701 63.200 -0.030 0.000 1.217 54 S HN 1.618 9.928 8.310 -0.000 0.000 0.526 55 A N 0.686 123.423 122.820 -0.137 0.000 2.327 55 A HA 0.732 5.038 4.320 -0.023 0.000 0.283 55 A C 1.202 178.615 177.584 -0.285 0.000 1.127 55 A CA 0.191 52.089 52.037 -0.232 0.000 0.810 55 A CB 0.340 19.093 19.000 -0.412 0.000 1.066 55 A HN 1.386 9.536 8.150 -0.000 0.000 0.492 56 A N 1.250 123.860 122.820 -0.351 0.000 1.972 56 A HA -0.152 4.154 4.320 -0.023 0.000 0.219 56 A C 1.700 179.049 177.584 -0.390 0.000 1.169 56 A CA 1.714 53.442 52.037 -0.515 0.000 0.635 56 A CB -0.976 17.307 19.000 -1.195 0.000 0.810 56 A HN 1.063 9.213 8.150 -0.000 0.000 0.446 57 H N -2.302 116.650 119.070 -0.196 0.000 2.559 57 H HA -0.001 4.538 4.556 -0.028 0.000 0.273 57 H C 1.275 176.664 175.328 0.101 0.000 1.000 57 H CA 1.130 57.215 56.048 0.061 0.000 1.195 57 H CB -0.677 29.172 29.762 0.145 0.000 1.368 57 H HN 0.408 8.688 8.280 -0.000 0.000 0.592 58 c N 1.032 119.551 118.600 -0.135 0.000 2.626 58 c HA 0.063 4.619 4.570 -0.023 0.000 0.266 58 c C 0.788 174.962 174.090 0.141 0.000 1.317 58 c CA -0.706 55.658 56.329 0.059 0.000 1.716 58 c CB -2.200 40.267 42.510 -0.071 0.000 1.819 58 c HN 0.533 8.763 8.230 -0.000 0.000 0.578 59 Y N 3.204 123.516 120.300 0.020 0.000 2.620 59 Y HA 0.286 4.824 4.550 -0.020 0.000 0.330 59 Y C 0.328 176.229 175.900 0.002 0.000 1.186 59 Y CA 0.751 58.863 58.100 0.020 0.000 1.467 59 Y CB 0.030 38.490 38.460 0.001 0.000 1.262 59 Y HN 0.254 8.534 8.280 -0.000 0.000 0.550 60 K N 3.394 123.105 120.400 -1.147 0.000 2.551 60 K HA 0.355 4.661 4.320 -0.023 0.000 0.269 60 K C -1.150 174.908 176.600 -0.904 0.000 0.949 60 K CA -0.932 54.811 56.287 -0.906 0.000 0.849 60 K CB 1.893 34.034 32.500 -0.597 0.000 1.411 60 K HN 0.631 8.881 8.250 -0.000 0.000 0.432 61 S N -0.064 115.319 115.700 -0.527 0.000 2.565 61 S HA 0.459 4.915 4.470 -0.023 0.000 0.276 61 S C 0.817 175.304 174.600 -0.188 0.000 1.326 61 S CA 0.036 58.097 58.200 -0.232 0.000 1.045 61 S CB 1.027 64.181 63.200 -0.077 0.000 0.918 61 S HN 0.953 9.263 8.310 -0.000 0.000 0.505 62 G N 1.561 110.293 108.800 -0.114 0.000 2.256 62 G HA2 -0.218 3.728 3.960 -0.023 0.000 0.272 62 G HA3 -0.218 3.728 3.960 -0.023 0.000 0.272 62 G C -0.192 174.647 174.900 -0.102 0.000 1.076 62 G CA -0.393 44.651 45.100 -0.094 0.000 0.882 62 G HN 0.721 9.011 8.290 -0.000 0.000 0.497 63 I N 0.045 120.562 120.570 -0.088 0.000 2.474 63 I HA 0.276 4.432 4.170 -0.023 0.000 0.287 63 I C 0.753 176.833 176.117 -0.062 0.000 1.048 63 I CA -0.160 61.111 61.300 -0.047 0.000 1.383 63 I CB 1.471 39.461 38.000 -0.017 0.000 1.412 63 I HN 0.309 8.519 8.210 -0.000 0.000 0.531 64 Q N 5.505 125.255 119.800 -0.084 0.000 2.307 64 Q HA 0.453 4.779 4.340 -0.023 0.000 0.262 64 Q C -1.492 174.422 176.000 -0.143 0.000 0.961 64 Q CA -0.697 55.039 55.803 -0.111 0.000 0.882 64 Q CB 1.963 30.609 28.738 -0.153 0.000 1.264 64 Q HN 0.474 8.744 8.270 -0.000 0.000 0.446 65 V N 5.021 124.873 119.914 -0.103 0.000 2.407 65 V HA 0.437 4.543 4.120 -0.023 0.000 0.278 65 V C -0.177 175.872 176.094 -0.075 0.000 1.037 65 V CA -0.427 61.817 62.300 -0.093 0.000 0.900 65 V CB 1.315 33.108 31.823 -0.049 0.000 0.983 65 V HN 0.729 8.919 8.190 -0.000 0.000 0.459 66 R N 4.980 125.414 120.500 -0.110 0.000 2.360 66 R HA 0.665 4.991 4.340 -0.023 0.000 0.318 66 R C -1.276 175.058 176.300 0.057 0.000 0.950 66 R CA -0.595 55.476 56.100 -0.048 0.000 0.837 66 R CB 1.461 31.567 30.300 -0.323 0.000 1.165 66 R HN 0.503 8.773 8.270 -0.000 0.000 0.458 70 E N 0.513 120.817 120.200 0.173 0.000 2.301 70 E HA 0.406 4.742 4.350 -0.023 0.000 0.275 70 E C 0.065 176.854 176.600 0.315 0.000 1.030 70 E CA -0.186 56.336 56.400 0.204 0.000 0.852 70 E CB 2.576 32.342 29.700 0.110 0.000 1.060 70 E HN 0.217 8.577 8.360 -0.000 0.000 0.401 71 D N 0.935 121.488 120.400 0.256 0.000 3.106 71 D HA -0.065 4.561 4.640 -0.023 0.000 0.216 71 D C -0.063 176.440 176.300 0.338 0.000 1.540 71 D CA -0.119 54.056 54.000 0.292 0.000 1.389 71 D CB 0.215 41.099 40.800 0.140 0.000 1.080 71 D HN 0.246 8.616 8.370 -0.000 0.000 0.270 72 N N 1.320 120.126 118.700 0.177 0.000 2.405 72 N HA 0.049 4.775 4.740 -0.023 0.000 0.260 72 N C 1.187 176.717 175.510 0.033 0.000 1.152 72 N CA -0.007 53.117 53.050 0.123 0.000 0.948 72 N CB 0.500 39.034 38.487 0.078 0.000 1.111 72 N HN 0.432 8.812 8.380 -0.000 0.000 0.485 73 I N 0.409 120.924 120.570 -0.091 0.000 3.334 73 I HA 0.026 4.182 4.170 -0.023 0.000 0.282 73 I C 0.610 176.655 176.117 -0.119 0.000 1.313 73 I CA 0.448 61.596 61.300 -0.254 0.000 1.396 73 I CB -0.099 37.535 38.000 -0.610 0.000 1.054 73 I HN 0.219 8.429 8.210 -0.000 0.000 0.495 74 N N 0.718 119.394 118.700 -0.040 0.000 2.294 74 N HA 0.220 4.946 4.740 -0.023 0.000 0.186 74 N C 0.131 175.653 175.510 0.019 0.000 1.107 74 N CA 0.332 53.377 53.050 -0.007 0.000 0.884 74 N CB 1.416 39.906 38.487 0.006 0.000 1.030 74 N HN 0.168 8.548 8.380 -0.000 0.000 0.482 75 V N 1.607 121.538 119.914 0.027 0.000 2.513 75 V HA 0.327 4.433 4.120 -0.023 0.000 0.299 75 V C 0.157 176.274 176.094 0.040 0.000 1.035 75 V CA -0.833 61.486 62.300 0.033 0.000 0.889 75 V CB 2.565 34.406 31.823 0.031 0.000 0.988 75 V HN -0.244 7.946 8.190 -0.000 0.000 0.440 76 V N 4.530 124.463 119.914 0.031 0.000 2.455 76 V HA 0.216 4.322 4.120 -0.023 0.000 0.273 76 V C 0.900 176.996 176.094 0.004 0.000 1.045 76 V CA 0.161 62.469 62.300 0.013 0.000 0.976 76 V CB 0.823 32.637 31.823 -0.015 0.000 0.993 76 V HN 1.016 9.206 8.190 -0.000 0.000 0.475 77 E N 3.271 123.475 120.200 0.005 0.000 2.526 77 E HA 0.284 4.620 4.350 -0.023 0.000 0.208 77 E C 1.540 178.136 176.600 -0.006 0.000 0.997 77 E CA 0.600 57.005 56.400 0.008 0.000 0.961 77 E CB 1.008 30.724 29.700 0.026 0.000 1.030 77 E HN 1.060 9.420 8.360 -0.000 0.000 0.483 78 G N 1.904 110.687 108.800 -0.027 0.000 2.254 78 G HA2 -0.217 3.729 3.960 -0.023 0.000 0.225 78 G HA3 -0.217 3.729 3.960 -0.023 0.000 0.225 78 G C 0.766 175.642 174.900 -0.039 0.000 1.003 78 G CA 0.007 45.083 45.100 -0.039 0.000 0.622 78 G HN 0.162 8.452 8.290 -0.000 0.000 0.507 79 N N 1.329 120.017 118.700 -0.019 0.000 2.235 79 N HA 0.233 4.959 4.740 -0.023 0.000 0.209 79 N C 0.008 175.513 175.510 -0.009 0.000 1.122 79 N CA 0.357 53.401 53.050 -0.010 0.000 0.845 79 N CB 0.579 39.073 38.487 0.011 0.000 1.004 79 N HN 0.585 8.965 8.380 -0.000 0.000 0.499 80 E N 0.805 120.979 120.200 -0.042 0.000 2.343 80 E HA 0.265 4.601 4.350 -0.023 0.000 0.269 80 E C -0.196 176.348 176.600 -0.094 0.000 1.047 80 E CA 0.018 56.404 56.400 -0.024 0.000 0.874 80 E CB 1.086 30.756 29.700 -0.051 0.000 1.033 80 E HN 0.044 8.404 8.360 -0.000 0.000 0.409 81 Q N 1.553 121.374 119.800 0.035 0.000 2.292 81 Q HA 0.411 4.737 4.340 -0.023 0.000 0.270 81 Q C -1.239 174.914 176.000 0.256 0.000 1.024 81 Q CA -0.665 55.155 55.803 0.029 0.000 0.768 81 Q CB 1.390 30.152 28.738 0.041 0.000 1.250 81 Q HN 0.362 8.632 8.270 -0.000 0.000 0.447 82 F N 3.268 123.201 119.950 -0.028 0.000 2.426 82 F HA 0.569 5.085 4.527 -0.018 0.000 0.348 82 F C -0.045 175.734 175.800 -0.036 0.000 1.124 82 F CA -1.277 56.701 58.000 -0.036 0.000 1.008 82 F CB 0.751 39.728 39.000 -0.038 0.000 1.139 82 F HN 0.351 8.651 8.300 -0.000 0.000 0.452 83 I N 2.123 122.769 120.570 0.127 0.000 2.569 83 I HA 0.280 4.436 4.170 -0.023 0.000 0.290 83 I C -0.212 175.906 176.117 0.002 0.000 1.088 83 I CA -0.591 60.737 61.300 0.046 0.000 1.047 83 I CB 2.274 40.284 38.000 0.017 0.000 1.237 83 I HN 0.353 8.563 8.210 -0.000 0.000 0.421 84 S N 3.583 119.276 115.700 -0.011 0.000 2.585 84 S HA 0.507 4.963 4.470 -0.023 0.000 0.273 84 S C 0.278 174.845 174.600 -0.054 0.000 1.339 84 S CA -0.768 57.411 58.200 -0.034 0.000 1.028 84 S CB 1.248 64.431 63.200 -0.029 0.000 0.906 84 S HN 0.699 9.009 8.310 -0.000 0.000 0.528 85 A N 1.640 124.424 122.820 -0.059 0.000 2.409 85 A HA 0.439 4.745 4.320 -0.023 0.000 0.262 85 A C 1.204 178.746 177.584 -0.070 0.000 1.113 85 A CA -0.349 51.645 52.037 -0.073 0.000 0.790 85 A CB 0.042 19.012 19.000 -0.049 0.000 1.046 85 A HN 0.904 9.054 8.150 -0.000 0.000 0.496 86 S N 1.552 117.190 115.700 -0.103 0.000 2.470 86 S HA 0.200 4.656 4.470 -0.023 0.000 0.222 86 S C 0.560 175.126 174.600 -0.057 0.000 1.024 86 S CA 0.512 58.664 58.200 -0.080 0.000 0.931 86 S CB 0.016 63.155 63.200 -0.101 0.000 0.791 86 S HN 0.720 9.030 8.310 -0.000 0.000 0.513 87 K N 0.664 121.020 120.400 -0.074 0.000 2.543 87 K HA 0.518 4.824 4.320 -0.023 0.000 0.255 87 K C -1.797 174.824 176.600 0.034 0.000 0.934 87 K CA -0.302 55.979 56.287 -0.009 0.000 0.810 87 K CB 2.090 34.576 32.500 -0.023 0.000 1.315 87 K HN 0.113 8.363 8.250 -0.000 0.000 0.433 88 S N 3.613 119.386 115.700 0.123 0.000 2.502 88 S HA 0.553 5.009 4.470 -0.023 0.000 0.304 88 S C -0.585 174.106 174.600 0.152 0.000 1.097 88 S CA -0.682 57.626 58.200 0.180 0.000 1.045 88 S CB 0.799 64.198 63.200 0.332 0.000 1.019 88 S HN 0.456 8.766 8.310 -0.000 0.000 0.481 89 I N 3.092 123.777 120.570 0.193 0.000 2.390 89 I HA 0.295 4.451 4.170 -0.023 0.000 0.283 89 I C -0.501 175.756 176.117 0.234 0.000 1.016 89 I CA -0.736 60.680 61.300 0.194 0.000 1.151 89 I CB 1.378 39.516 38.000 0.230 0.000 1.293 89 I HN 0.268 8.478 8.210 -0.000 0.000 0.458 90 V N 5.450 125.433 119.914 0.115 0.000 2.686 90 V HA 0.040 4.146 4.120 -0.023 0.000 0.295 90 V C 0.749 176.919 176.094 0.126 0.000 1.055 90 V CA -0.364 61.976 62.300 0.066 0.000 1.050 90 V CB 0.846 32.638 31.823 -0.051 0.000 0.984 90 V HN 0.607 8.796 8.190 -0.000 0.000 0.482 91 H N 7.809 126.832 119.070 -0.079 0.000 3.034 91 H HA 0.034 4.575 4.556 -0.024 0.000 0.324 91 H C -1.354 173.900 175.328 -0.124 0.000 1.015 91 H CA -1.041 54.805 56.048 -0.338 0.000 1.429 91 H CB 1.608 31.007 29.762 -0.605 0.000 1.429 91 H HN 0.434 8.714 8.280 -0.000 0.000 0.585 92 P HA -0.154 4.266 4.420 -0.000 0.000 0.217 92 P C 0.710 177.989 177.300 -0.036 0.000 1.151 92 P CA 1.323 64.302 63.100 -0.201 0.000 0.849 92 P CB 0.210 31.747 31.700 -0.271 0.000 0.787 93 S N -2.141 113.616 115.700 0.094 0.000 2.614 93 S HA 0.050 4.506 4.470 -0.023 0.000 0.230 93 S C 0.398 175.109 174.600 0.186 0.000 0.952 93 S CA -0.667 57.629 58.200 0.161 0.000 0.949 93 S CB -1.096 62.218 63.200 0.190 0.000 0.786 93 S HN 0.108 8.418 8.310 -0.000 0.000 0.478 94 Y N 3.774 124.113 120.300 0.065 0.000 2.610 94 Y HA 0.275 4.808 4.550 -0.028 0.000 0.332 94 Y C 0.019 175.922 175.900 0.004 0.000 1.201 94 Y CA -0.598 57.514 58.100 0.021 0.000 1.465 94 Y CB 0.214 38.683 38.460 0.015 0.000 1.283 94 Y HN 0.084 8.364 8.280 -0.000 0.000 0.563 95 N N 3.437 121.810 118.700 -0.545 0.000 2.479 95 N HA 0.091 4.817 4.740 -0.023 0.000 0.261 95 N C 0.145 175.132 175.510 -0.872 0.000 0.979 95 N CA 0.200 52.920 53.050 -0.551 0.000 0.930 95 N CB 1.310 39.644 38.487 -0.255 0.000 1.172 95 N HN 0.745 9.125 8.380 -0.000 0.000 0.499 96 S N 2.721 117.897 115.700 -0.872 0.000 2.481 96 S HA -0.035 4.421 4.470 -0.023 0.000 0.231 96 S C 1.048 175.466 174.600 -0.303 0.000 0.996 96 S CA 0.671 58.510 58.200 -0.602 0.000 0.942 96 S CB -0.165 62.860 63.200 -0.292 0.000 0.768 96 S HN 0.630 8.940 8.310 -0.000 0.000 0.520 97 N N 1.385 119.919 118.700 -0.276 0.000 2.251 97 N HA -0.004 4.721 4.740 -0.023 0.000 0.181 97 N C 1.647 177.008 175.510 -0.250 0.000 1.019 97 N CA 1.454 54.376 53.050 -0.214 0.000 0.862 97 N CB -0.111 38.277 38.487 -0.166 0.000 0.992 97 N HN 0.692 9.072 8.380 -0.000 0.000 0.429 98 T N -1.643 112.760 114.554 -0.253 0.000 3.040 98 T HA 0.279 4.615 4.350 -0.023 0.000 0.250 98 T C 0.772 175.295 174.700 -0.296 0.000 1.058 98 T CA -0.212 61.728 62.100 -0.266 0.000 0.988 98 T CB 0.003 68.770 68.868 -0.168 0.000 0.993 98 T HN 0.121 8.361 8.240 -0.000 0.000 0.519 99 L N 0.672 121.759 121.223 -0.228 0.000 4.232 99 L HA -0.188 4.138 4.340 -0.023 0.000 0.415 99 L C 0.327 177.254 176.870 0.094 0.000 1.168 99 L CA 0.183 55.003 54.840 -0.033 0.000 0.966 99 L CB -2.342 39.612 42.059 -0.175 0.000 2.052 99 L HN 0.594 8.824 8.230 -0.000 0.000 0.887 100 N N 1.562 120.276 118.700 0.024 0.000 2.520 100 N HA 0.082 4.808 4.740 -0.023 0.000 0.273 100 N C 0.568 176.158 175.510 0.134 0.000 1.155 100 N CA -0.002 53.096 53.050 0.079 0.000 0.967 100 N CB 0.368 38.872 38.487 0.028 0.000 1.092 100 N HN 0.291 8.671 8.380 -0.000 0.000 0.457 101 N N 1.816 120.591 118.700 0.125 0.000 2.758 101 N HA -0.192 4.534 4.740 -0.023 0.000 0.248 101 N C -1.291 174.216 175.510 -0.005 0.000 1.076 101 N CA 0.540 53.586 53.050 -0.006 0.000 0.696 101 N CB -1.026 37.427 38.487 -0.057 0.000 0.979 101 N HN 0.680 9.060 8.380 -0.000 0.000 0.550 102 D N 1.390 121.827 120.400 0.062 0.000 2.545 102 D HA 0.417 5.043 4.640 -0.023 0.000 0.227 102 D C 0.029 176.227 176.300 -0.170 0.000 1.150 102 D CA 0.118 54.128 54.000 0.017 0.000 1.046 102 D CB -0.213 40.712 40.800 0.209 0.000 1.098 102 D HN 0.499 8.869 8.370 -0.000 0.000 0.502 103 I N 2.157 122.555 120.570 -0.288 0.000 2.775 103 I HA 0.412 4.568 4.170 -0.023 0.000 0.295 103 I C -1.869 174.191 176.117 -0.095 0.000 1.287 103 I CA -0.852 60.311 61.300 -0.229 0.000 1.029 103 I CB 1.746 39.481 38.000 -0.442 0.000 1.282 103 I HN 0.169 8.379 8.210 -0.000 0.000 0.426 104 M N 7.767 127.388 119.600 0.035 0.000 2.433 104 M HA 0.557 5.023 4.480 -0.023 0.000 0.290 104 M C -2.307 174.117 176.300 0.206 0.000 1.173 104 M CA -0.632 54.755 55.300 0.146 0.000 0.905 104 M CB 2.295 34.926 32.600 0.051 0.000 1.692 104 M HN 0.552 8.842 8.290 -0.000 0.000 0.462 105 L N 4.839 126.223 121.223 0.267 0.000 2.317 105 L HA 0.634 4.959 4.340 -0.023 0.000 0.281 105 L C -1.009 176.050 176.870 0.316 0.000 1.024 105 L CA -0.662 54.350 54.840 0.287 0.000 0.810 105 L CB 2.023 44.209 42.059 0.212 0.000 1.240 105 L HN 0.676 8.906 8.230 -0.000 0.000 0.427 106 I N 3.086 123.812 120.570 0.260 0.000 2.406 106 I HA 0.351 4.507 4.170 -0.023 0.000 0.290 106 I C -0.265 175.748 176.117 -0.174 0.000 0.999 106 I CA -0.639 60.703 61.300 0.070 0.000 1.124 106 I CB 2.011 40.032 38.000 0.035 0.000 1.289 106 I HN 0.517 8.727 8.210 -0.000 0.000 0.441 107 K N 6.847 126.937 120.400 -0.517 0.000 2.156 107 K HA 0.577 4.883 4.320 -0.023 0.000 0.271 107 K C -0.968 175.326 176.600 -0.511 0.000 0.995 107 K CA -0.589 55.067 56.287 -1.052 0.000 0.890 107 K CB 1.143 32.868 32.500 -1.291 0.000 1.073 107 K HN 0.547 8.797 8.250 -0.000 0.000 0.454 108 L N 4.313 125.268 121.223 -0.446 0.000 2.395 108 L HA 0.188 4.514 4.340 -0.023 0.000 0.269 108 L C 1.587 178.336 176.870 -0.202 0.000 1.133 108 L CA -0.234 54.465 54.840 -0.235 0.000 0.812 108 L CB 1.020 42.982 42.059 -0.162 0.000 1.125 108 L HN 0.791 9.021 8.230 -0.000 0.000 0.452 109 K N 0.887 121.212 120.400 -0.126 0.000 2.063 109 K HA -0.101 4.205 4.320 -0.023 0.000 0.208 109 K C 0.446 177.000 176.600 -0.078 0.000 1.048 109 K CA 1.218 57.450 56.287 -0.093 0.000 0.928 109 K CB 0.239 32.704 32.500 -0.058 0.000 0.713 109 K HN 0.786 9.036 8.250 -0.000 0.000 0.442 110 S N -1.288 114.373 115.700 -0.065 0.000 2.599 110 S HA 0.670 5.126 4.470 -0.023 0.000 0.287 110 S C -0.838 173.733 174.600 -0.048 0.000 1.105 110 S CA -1.080 57.092 58.200 -0.047 0.000 0.899 110 S CB 1.921 65.105 63.200 -0.027 0.000 1.100 110 S HN 0.192 8.502 8.310 -0.000 0.000 0.482 111 A N 0.983 123.784 122.820 -0.032 0.000 2.440 111 A HA 0.682 4.988 4.320 -0.023 0.000 0.251 111 A C 0.717 178.298 177.584 -0.005 0.000 1.089 111 A CA -0.125 51.901 52.037 -0.019 0.000 0.779 111 A CB -0.564 18.436 19.000 -0.001 0.000 1.022 111 A HN 1.563 9.713 8.150 -0.000 0.000 0.492 112 A N 2.092 124.915 122.820 0.004 0.000 2.425 112 A HA 0.472 4.778 4.320 -0.023 0.000 0.242 112 A C 0.817 178.414 177.584 0.020 0.000 1.077 112 A CA 0.349 52.396 52.037 0.017 0.000 0.781 112 A CB 0.070 19.088 19.000 0.031 0.000 1.020 112 A HN 1.285 9.435 8.150 -0.000 0.000 0.494 113 S N 1.791 117.502 115.700 0.018 0.000 2.400 113 S HA 0.425 4.881 4.470 -0.023 0.000 0.295 113 S C -0.062 174.553 174.600 0.025 0.000 1.113 113 S CA -0.538 57.673 58.200 0.017 0.000 1.064 113 S CB -0.912 62.294 63.200 0.009 0.000 0.990 113 S HN 0.471 8.780 8.310 -0.000 0.000 0.502 114 L N 5.652 126.894 121.223 0.030 0.000 2.426 114 L HA 0.408 4.734 4.340 -0.023 0.000 0.271 114 L C 0.470 177.358 176.870 0.030 0.000 1.169 114 L CA -0.398 54.465 54.840 0.037 0.000 0.836 114 L CB 0.197 42.281 42.059 0.042 0.000 1.112 114 L HN 0.825 9.055 8.230 -0.000 0.000 0.465 115 N N -1.080 117.639 118.700 0.032 0.000 3.517 115 N HA 0.113 4.839 4.740 -0.023 0.000 0.329 115 N C 0.142 175.669 175.510 0.029 0.000 1.569 115 N CA -0.194 52.871 53.050 0.025 0.000 0.852 115 N CB 0.273 38.771 38.487 0.019 0.000 1.955 115 N HN 0.291 8.671 8.380 -0.000 0.000 0.555 116 S N -1.624 114.090 115.700 0.024 0.000 2.461 116 S HA 0.071 4.527 4.470 -0.023 0.000 0.228 116 S C 1.089 175.705 174.600 0.026 0.000 1.005 116 S CA 0.263 58.478 58.200 0.025 0.000 0.942 116 S CB -0.285 62.927 63.200 0.020 0.000 0.776 116 S HN 0.461 8.771 8.310 -0.000 0.000 0.514 117 R N 0.692 121.207 120.500 0.024 0.000 2.237 117 R HA 0.366 4.692 4.340 -0.023 0.000 0.195 117 R C -0.207 176.110 176.300 0.028 0.000 0.956 117 R CA 0.229 56.342 56.100 0.022 0.000 1.029 117 R CB -0.203 30.110 30.300 0.022 0.000 0.972 117 R HN 0.361 8.631 8.270 -0.000 0.000 0.493 118 V N 1.245 121.182 119.914 0.038 0.000 2.409 118 V HA 0.713 4.819 4.120 -0.023 0.000 0.290 118 V C -0.490 175.643 176.094 0.065 0.000 1.017 118 V CA -0.888 61.443 62.300 0.051 0.000 0.841 118 V CB 1.439 33.292 31.823 0.050 0.000 1.003 118 V HN 0.249 8.439 8.190 -0.000 0.000 0.426 119 A N 3.569 126.444 122.820 0.091 0.000 2.587 119 A HA 0.928 5.234 4.320 -0.023 0.000 0.293 119 A C -0.194 177.483 177.584 0.155 0.000 1.087 119 A CA -0.319 51.783 52.037 0.108 0.000 0.692 119 A CB 2.037 21.103 19.000 0.110 0.000 1.291 119 A HN 0.949 9.099 8.150 -0.000 0.000 0.407 120 S N 0.112 115.889 115.700 0.128 0.000 2.693 120 S HA 0.745 5.201 4.470 -0.023 0.000 0.276 120 S C -0.201 174.455 174.600 0.092 0.000 1.192 120 S CA -0.367 57.909 58.200 0.127 0.000 0.994 120 S CB 1.072 64.324 63.200 0.087 0.000 1.012 120 S HN 1.435 9.745 8.310 -0.000 0.000 0.550 121 I N 0.785 121.357 120.570 0.004 0.000 2.562 121 I HA 0.501 4.656 4.170 -0.023 0.000 0.301 121 I C -0.134 175.920 176.117 -0.106 0.000 1.003 121 I CA -0.231 60.962 61.300 -0.177 0.000 1.127 121 I CB 1.942 39.596 38.000 -0.578 0.000 1.304 121 I HN 0.772 8.982 8.210 -0.000 0.000 0.446 122 S N 6.333 121.972 115.700 -0.102 0.000 2.580 122 S HA 0.480 4.936 4.470 -0.023 0.000 0.274 122 S C -0.166 174.397 174.600 -0.061 0.000 1.329 122 S CA -0.520 57.644 58.200 -0.060 0.000 1.036 122 S CB 0.406 63.578 63.200 -0.048 0.000 0.919 122 S HN 0.475 8.785 8.310 -0.000 0.000 0.515 123 L N 4.325 125.528 121.223 -0.033 0.000 2.395 123 L HA 0.363 4.689 4.340 -0.023 0.000 0.269 123 L C -1.809 175.052 176.870 -0.015 0.000 1.133 123 L CA -1.944 52.887 54.840 -0.015 0.000 0.812 123 L CB 0.354 42.412 42.059 -0.001 0.000 1.125 123 L HN 0.397 8.627 8.230 -0.000 0.000 0.452 124 P HA 0.116 4.536 4.420 -0.000 0.000 0.275 124 P C -0.549 176.747 177.300 -0.008 0.000 1.227 124 P CA -0.359 62.733 63.100 -0.014 0.000 0.781 124 P CB 0.923 32.614 31.700 -0.015 0.000 0.906 128 c N 2.301 120.867 118.600 -0.056 0.000 2.657 128 c HA 0.755 5.311 4.570 -0.023 0.000 0.404 128 c C 1.295 175.315 174.090 -0.116 0.000 1.291 128 c CA -0.343 55.934 56.329 -0.087 0.000 2.218 128 c CB -0.350 42.109 42.510 -0.084 0.000 2.687 128 c HN 0.949 9.179 8.230 -0.000 0.000 0.634 129 A N 2.622 125.334 122.820 -0.180 0.000 2.316 129 A HA 0.636 4.942 4.320 -0.023 0.000 0.284 129 A C 0.452 177.923 177.584 -0.187 0.000 1.115 129 A CA -0.203 51.725 52.037 -0.182 0.000 0.812 129 A CB 0.347 19.210 19.000 -0.228 0.000 1.064 129 A HN 1.070 9.220 8.150 -0.000 0.000 0.489 133 G N 0.686 109.451 108.800 -0.058 0.000 2.234 133 G HA2 -0.089 3.857 3.960 -0.023 0.000 0.235 133 G HA3 -0.089 3.857 3.960 -0.023 0.000 0.235 133 G C 0.515 175.384 174.900 -0.052 0.000 0.997 133 G CA 0.544 45.617 45.100 -0.047 0.000 0.623 133 G HN 1.695 9.985 8.290 -0.000 0.000 0.514 134 T N 1.808 116.320 114.554 -0.070 0.000 2.888 134 T HA 0.407 4.743 4.350 -0.023 0.000 0.301 134 T C 0.359 175.021 174.700 -0.063 0.000 1.001 134 T CA 0.486 62.546 62.100 -0.068 0.000 1.147 134 T CB 1.485 70.297 68.868 -0.092 0.000 0.931 134 T HN 0.501 8.741 8.240 -0.000 0.000 0.541 135 Q N 1.908 121.685 119.800 -0.039 0.000 2.267 135 Q HA 0.392 4.718 4.340 -0.023 0.000 0.255 135 Q C -1.065 174.922 176.000 -0.022 0.000 0.923 135 Q CA -0.522 55.267 55.803 -0.022 0.000 0.925 135 Q CB 0.415 29.156 28.738 0.005 0.000 1.195 135 Q HN 0.761 9.031 8.270 -0.000 0.000 0.417 136 c N 2.983 121.570 118.600 -0.021 0.000 2.848 136 c HA 0.631 5.187 4.570 -0.023 0.000 0.317 136 c C -0.925 173.171 174.090 0.012 0.000 1.260 136 c CA -0.960 55.358 56.329 -0.019 0.000 1.656 136 c CB 1.297 43.777 42.510 -0.049 0.000 2.174 136 c HN 0.866 9.096 8.230 -0.000 0.000 0.479 137 L N 2.157 123.396 121.223 0.026 0.000 2.313 137 L HA 0.739 5.065 4.340 -0.023 0.000 0.283 137 L C -0.877 176.009 176.870 0.026 0.000 1.013 137 L CA 0.011 54.881 54.840 0.051 0.000 0.816 137 L CB 0.482 42.594 42.059 0.088 0.000 1.236 137 L HN 0.582 8.812 8.230 -0.000 0.000 0.419 138 I N 4.158 124.729 120.570 0.003 0.000 2.474 138 I HA 0.626 4.782 4.170 -0.023 0.000 0.294 138 I C -0.382 175.708 176.117 -0.044 0.000 1.005 138 I CA -0.358 60.938 61.300 -0.007 0.000 1.113 138 I CB 2.055 40.051 38.000 -0.006 0.000 1.289 138 I HN 0.732 8.942 8.210 -0.000 0.000 0.436 139 S N 3.288 118.955 115.700 -0.055 0.000 2.588 139 S HA 1.014 5.470 4.470 -0.023 0.000 0.275 139 S C -0.530 173.962 174.600 -0.180 0.000 1.130 139 S CA -0.737 57.360 58.200 -0.171 0.000 0.855 139 S CB 2.535 65.597 63.200 -0.230 0.000 1.116 139 S HN 1.122 9.432 8.310 -0.000 0.000 0.472 140 G N -0.302 108.307 108.800 -0.318 0.000 2.316 140 G HA2 0.389 4.335 3.960 -0.023 0.000 0.296 140 G HA3 0.389 4.335 3.960 -0.023 0.000 0.296 140 G C -1.445 173.249 174.900 -0.344 0.000 1.399 140 G CA -0.821 44.116 45.100 -0.272 0.000 0.833 140 G HN 0.650 8.940 8.290 -0.000 0.000 0.565 141 W N 1.287 122.536 121.300 -0.086 0.000 3.015 141 W HA 0.414 5.060 4.660 -0.023 0.000 0.429 141 W C 0.964 177.493 176.519 0.016 0.000 0.976 141 W CA -0.129 57.126 57.345 -0.150 0.000 2.086 141 W CB 0.864 30.034 29.460 -0.482 0.000 1.125 141 W HN 0.791 8.971 8.180 -0.000 0.000 0.721 142 G N 1.042 110.000 108.800 0.263 0.000 2.563 142 G HA2 -0.025 3.921 3.960 -0.023 0.000 0.283 142 G HA3 -0.025 3.921 3.960 -0.023 0.000 0.283 142 G C -0.024 175.034 174.900 0.263 0.000 1.309 142 G CA -0.485 44.812 45.100 0.329 0.000 1.022 142 G HN -0.071 8.219 8.290 -0.000 0.000 0.501 143 N N -0.613 118.228 118.700 0.235 0.000 2.412 143 N HA -0.006 4.720 4.740 -0.023 0.000 0.254 143 N C 1.470 176.955 175.510 -0.043 0.000 1.232 143 N CA 0.765 53.773 53.050 -0.070 0.000 0.880 143 N CB 0.991 39.411 38.487 -0.112 0.000 1.076 143 N HN 0.481 8.861 8.380 -0.000 0.000 0.458 144 T N -0.517 113.977 114.554 -0.100 0.000 3.069 144 T HA 0.247 4.583 4.350 -0.023 0.000 0.252 144 T C 0.296 174.963 174.700 -0.054 0.000 1.053 144 T CA 0.134 62.204 62.100 -0.051 0.000 0.964 144 T CB 0.090 68.935 68.868 -0.038 0.000 1.005 144 T HN 0.330 8.570 8.240 -0.000 0.000 0.532 145 K N 1.261 121.612 120.400 -0.082 0.000 2.259 145 K HA 0.467 4.773 4.320 -0.023 0.000 0.252 145 K C 0.717 177.296 176.600 -0.034 0.000 0.936 145 K CA -0.357 55.896 56.287 -0.057 0.000 0.810 145 K CB 1.924 34.379 32.500 -0.075 0.000 1.143 145 K HN 0.123 8.373 8.250 -0.000 0.000 0.427 146 S N -0.071 115.622 115.700 -0.012 0.000 2.446 146 S HA 0.005 4.461 4.470 -0.023 0.000 0.225 146 S C 0.474 175.077 174.600 0.006 0.000 1.016 146 S CA 0.039 58.243 58.200 0.006 0.000 0.943 146 S CB 0.162 63.370 63.200 0.014 0.000 0.786 146 S HN 0.372 8.682 8.310 -0.000 0.000 0.508 147 S N 0.733 116.430 115.700 -0.004 0.000 2.594 147 S HA 0.747 5.203 4.470 -0.023 0.000 0.296 147 S C 0.147 174.738 174.600 -0.015 0.000 1.124 147 S CA -0.329 57.870 58.200 -0.002 0.000 1.011 147 S CB 1.368 64.569 63.200 0.002 0.000 1.016 147 S HN 1.043 9.353 8.310 -0.000 0.000 0.485 148 G N 1.994 110.785 108.800 -0.015 0.000 2.631 148 G HA2 0.110 4.056 3.960 -0.023 0.000 0.504 148 G HA3 0.110 4.056 3.960 -0.023 0.000 0.504 148 G C -0.575 174.283 174.900 -0.071 0.000 1.306 148 G CA -0.456 44.627 45.100 -0.028 0.000 0.897 148 G HN 1.358 9.648 8.290 -0.000 0.000 0.520 149 T N -2.970 111.522 114.554 -0.104 0.000 2.881 149 T HA 0.773 5.109 4.350 -0.023 0.000 0.290 149 T C -0.420 174.111 174.700 -0.283 0.000 1.000 149 T CA 0.204 62.146 62.100 -0.264 0.000 0.978 149 T CB 2.035 70.822 68.868 -0.135 0.000 0.997 149 T HN 1.971 10.211 8.240 -0.000 0.000 0.443 150 S N 2.035 117.467 115.700 -0.447 0.000 2.680 150 S HA 0.497 4.953 4.470 -0.023 0.000 0.262 150 S C -1.794 172.599 174.600 -0.344 0.000 1.138 150 S CA -0.715 57.335 58.200 -0.250 0.000 1.072 150 S CB 0.243 63.370 63.200 -0.122 0.000 1.097 150 S HN 0.620 8.930 8.310 -0.000 0.000 0.468 151 Y N 4.939 125.274 120.300 0.059 0.000 2.335 151 Y HA 0.483 5.023 4.550 -0.017 0.000 0.339 151 Y C -1.536 174.409 175.900 0.074 0.000 0.987 151 Y CA -1.757 56.390 58.100 0.078 0.000 1.140 151 Y CB 0.818 39.332 38.460 0.091 0.000 1.173 151 Y HN 0.471 8.751 8.280 -0.000 0.000 0.486 152 P HA 0.157 4.577 4.420 -0.000 0.000 0.276 152 P C -0.414 177.004 177.300 0.198 0.000 1.244 152 P CA -0.309 62.888 63.100 0.162 0.000 0.801 152 P CB 1.848 33.618 31.700 0.116 0.000 1.006 153 D N -0.250 120.242 120.400 0.153 0.000 2.183 153 D HA 0.010 4.635 4.640 -0.023 0.000 0.205 153 D C 0.954 177.393 176.300 0.232 0.000 0.962 153 D CA 1.037 55.121 54.000 0.140 0.000 0.849 153 D CB 0.222 41.077 40.800 0.092 0.000 0.978 153 D HN 0.284 8.654 8.370 -0.000 0.000 0.488 154 V N -0.741 119.305 119.914 0.219 0.000 2.994 154 V HA 0.458 4.564 4.120 -0.023 0.000 0.318 154 V C -0.113 176.018 176.094 0.062 0.000 1.085 154 V CA -1.323 61.110 62.300 0.222 0.000 0.998 154 V CB 1.950 33.831 31.823 0.097 0.000 1.063 154 V HN -0.130 8.060 8.190 -0.000 0.000 0.447 155 L N 2.840 123.969 121.223 -0.158 0.000 2.416 155 L HA 0.437 4.763 4.340 -0.023 0.000 0.272 155 L C 0.139 176.751 176.870 -0.430 0.000 1.161 155 L CA 0.643 55.067 54.840 -0.694 0.000 0.845 155 L CB -0.010 41.582 42.059 -0.778 0.000 1.119 155 L HN 0.746 8.976 8.230 -0.000 0.000 0.464 156 K N 3.874 124.001 120.400 -0.455 0.000 2.221 156 K HA 0.573 4.879 4.320 -0.023 0.000 0.243 156 K C -1.124 175.222 176.600 -0.423 0.000 0.968 156 K CA -0.450 55.623 56.287 -0.356 0.000 0.846 156 K CB 1.744 34.106 32.500 -0.230 0.000 1.141 156 K HN 0.601 8.851 8.250 -0.000 0.000 0.434 157 c N 1.283 119.533 118.600 -0.583 0.000 2.802 157 c HA 0.690 5.246 4.570 -0.023 0.000 0.307 157 c C -1.135 172.617 174.090 -0.563 0.000 1.222 157 c CA -0.787 55.159 56.329 -0.639 0.000 1.580 157 c CB 1.548 43.506 42.510 -0.920 0.000 2.119 157 c HN 0.754 8.984 8.230 -0.000 0.000 0.479 158 L N 2.468 123.569 121.223 -0.204 0.000 2.493 158 L HA 0.537 4.863 4.340 -0.023 0.000 0.265 158 L C -1.044 175.906 176.870 0.133 0.000 0.954 158 L CA -0.188 54.670 54.840 0.030 0.000 0.844 158 L CB 1.298 43.390 42.059 0.055 0.000 1.302 158 L HN 0.622 8.852 8.230 -0.000 0.000 0.405 159 K N 3.882 124.423 120.400 0.234 0.000 2.183 159 K HA 0.879 5.185 4.320 -0.023 0.000 0.274 159 K C -0.984 175.739 176.600 0.205 0.000 1.009 159 K CA -0.452 55.946 56.287 0.184 0.000 0.888 159 K CB 1.704 34.312 32.500 0.181 0.000 1.078 159 K HN 0.734 8.984 8.250 -0.000 0.000 0.459 160 A N 4.193 127.070 122.820 0.095 0.000 2.520 160 A HA 0.577 4.883 4.320 -0.023 0.000 0.298 160 A C -2.798 174.720 177.584 -0.110 0.000 1.051 160 A CA -1.507 50.518 52.037 -0.021 0.000 0.690 160 A CB 1.538 20.514 19.000 -0.040 0.000 1.281 160 A HN 0.440 8.590 8.150 -0.000 0.000 0.402 161 P HA 0.447 4.867 4.420 -0.000 0.000 0.282 161 P C -0.481 176.752 177.300 -0.112 0.000 1.249 161 P CA -0.241 62.776 63.100 -0.139 0.000 0.806 161 P CB 0.851 32.469 31.700 -0.136 0.000 0.984 162 I N 2.383 122.909 120.570 -0.074 0.000 2.556 162 I HA 0.075 4.231 4.170 -0.023 0.000 0.284 162 I C 0.903 177.010 176.117 -0.017 0.000 1.114 162 I CA -0.079 61.205 61.300 -0.027 0.000 1.418 162 I CB 0.036 37.938 38.000 -0.162 0.000 1.394 162 I HN 0.142 8.352 8.210 -0.000 0.000 0.552 163 L N 5.140 126.390 121.223 0.045 0.000 2.387 163 L HA 0.357 4.683 4.340 -0.023 0.000 0.266 163 L C 0.634 177.528 176.870 0.039 0.000 1.059 163 L CA -0.683 54.173 54.840 0.026 0.000 0.801 163 L CB 1.513 43.595 42.059 0.038 0.000 1.223 163 L HN 0.665 8.895 8.230 -0.000 0.000 0.456 164 S N -1.073 114.642 115.700 0.024 0.000 2.579 164 S HA 0.035 4.491 4.470 -0.023 0.000 0.275 164 S C 0.505 175.134 174.600 0.049 0.000 1.345 164 S CA -0.745 57.470 58.200 0.025 0.000 1.031 164 S CB 0.876 64.086 63.200 0.015 0.000 0.892 164 S HN 0.576 8.886 8.310 -0.000 0.000 0.529 165 D N 1.802 122.231 120.400 0.048 0.000 2.182 165 D HA -0.092 4.534 4.640 -0.023 0.000 0.201 165 D C 2.021 178.357 176.300 0.060 0.000 0.986 165 D CA 1.624 55.663 54.000 0.064 0.000 0.847 165 D CB -0.567 40.265 40.800 0.053 0.000 0.942 165 D HN 0.628 8.998 8.370 -0.000 0.000 0.467 166 S N 0.662 116.387 115.700 0.043 0.000 2.356 166 S HA -0.110 4.346 4.470 -0.023 0.000 0.223 166 S C 2.267 176.892 174.600 0.041 0.000 1.032 166 S CA 0.994 59.217 58.200 0.038 0.000 1.005 166 S CB -0.258 62.958 63.200 0.026 0.000 0.867 166 S HN 0.175 8.485 8.310 -0.000 0.000 0.449 167 S N 0.764 116.487 115.700 0.038 0.000 2.368 167 S HA -0.152 4.304 4.470 -0.023 0.000 0.225 167 S C 2.152 176.784 174.600 0.053 0.000 1.030 167 S CA 1.060 59.280 58.200 0.034 0.000 0.999 167 S CB -0.762 62.455 63.200 0.029 0.000 0.844 167 S HN 0.682 8.992 8.310 -0.000 0.000 0.459 168 c N 2.046 120.695 118.600 0.083 0.000 2.453 168 c HA -0.001 4.555 4.570 -0.023 0.000 0.277 168 c C 2.552 176.740 174.090 0.162 0.000 1.262 168 c CA 0.879 57.288 56.329 0.132 0.000 1.718 168 c CB -1.052 41.537 42.510 0.131 0.000 2.031 168 c HN 0.530 8.760 8.230 -0.000 0.000 0.480 169 K N 0.134 120.607 120.400 0.121 0.000 2.147 169 K HA -0.119 4.187 4.320 -0.023 0.000 0.205 169 K C 2.414 179.072 176.600 0.096 0.000 1.049 169 K CA 1.524 57.883 56.287 0.120 0.000 0.936 169 K CB -0.288 32.265 32.500 0.088 0.000 0.722 169 K HN 0.450 8.700 8.250 -0.000 0.000 0.446 170 S N 0.318 116.054 115.700 0.060 0.000 2.368 170 S HA -0.103 4.353 4.470 -0.023 0.000 0.224 170 S C 1.966 176.561 174.600 -0.008 0.000 1.029 170 S CA 1.192 59.407 58.200 0.026 0.000 0.988 170 S CB -0.113 63.095 63.200 0.013 0.000 0.838 170 S HN 0.408 8.718 8.310 -0.000 0.000 0.462 171 A N -0.634 122.161 122.820 -0.042 0.000 1.968 171 A HA 0.123 4.429 4.320 -0.023 0.000 0.217 171 A C 0.327 177.694 177.584 -0.362 0.000 1.169 171 A CA 0.874 52.770 52.037 -0.235 0.000 0.638 171 A CB -0.292 18.523 19.000 -0.309 0.000 0.812 171 A HN 0.609 8.759 8.150 -0.000 0.000 0.446 172 Y N -0.643 119.692 120.300 0.058 0.000 2.658 172 Y HA 0.340 4.876 4.550 -0.023 0.000 0.362 172 Y C -2.712 173.250 175.900 0.103 0.000 1.017 172 Y CA -3.134 55.032 58.100 0.109 0.000 1.134 172 Y CB 0.381 38.944 38.460 0.172 0.000 1.144 172 Y HN 0.082 8.362 8.280 -0.000 0.000 0.655 173 P HA 0.026 4.446 4.420 -0.000 0.000 0.256 173 P C 1.026 178.398 177.300 0.121 0.000 1.173 173 P CA 1.712 64.882 63.100 0.117 0.000 0.768 173 P CB 0.453 32.196 31.700 0.071 0.000 0.758 174 G N 3.446 112.310 108.800 0.106 0.000 2.184 174 G HA2 -0.338 3.608 3.960 -0.023 0.000 0.264 174 G HA3 -0.338 3.608 3.960 -0.023 0.000 0.264 174 G C 0.797 175.753 174.900 0.094 0.000 0.975 174 G CA 0.260 45.409 45.100 0.083 0.000 0.642 174 G HN 0.551 8.841 8.290 -0.000 0.000 0.536 175 Q N -0.792 119.103 119.800 0.158 0.000 2.281 175 Q HA 0.370 4.696 4.340 -0.023 0.000 0.215 175 Q C 0.671 176.803 176.000 0.220 0.000 0.867 175 Q CA -0.027 55.872 55.803 0.160 0.000 0.940 175 Q CB 0.858 29.740 28.738 0.239 0.000 1.111 175 Q HN 0.504 8.774 8.270 -0.000 0.000 0.513 176 I N 2.050 122.742 120.570 0.204 0.000 2.331 176 I HA 0.178 4.334 4.170 -0.023 0.000 0.292 176 I C 0.778 176.973 176.117 0.130 0.000 0.998 176 I CA -0.063 61.347 61.300 0.183 0.000 1.267 176 I CB 0.907 39.002 38.000 0.157 0.000 1.386 176 I HN 0.058 8.268 8.210 -0.000 0.000 0.476 177 T N 1.319 115.947 114.554 0.124 0.000 2.910 177 T HA 0.266 4.602 4.350 -0.023 0.000 0.279 177 T C 1.206 175.960 174.700 0.090 0.000 0.989 177 T CA -0.198 61.956 62.100 0.090 0.000 0.968 177 T CB 1.176 70.091 68.868 0.080 0.000 1.135 177 T HN 0.559 8.799 8.240 -0.000 0.000 0.562 178 S N 0.017 115.756 115.700 0.065 0.000 2.547 178 S HA -0.045 4.410 4.470 -0.023 0.000 0.235 178 S C 1.006 175.648 174.600 0.069 0.000 0.980 178 S CA 0.154 58.387 58.200 0.056 0.000 0.941 178 S CB -0.643 62.571 63.200 0.023 0.000 0.763 178 S HN 0.681 8.991 8.310 -0.000 0.000 0.532 179 N N 0.955 119.710 118.700 0.092 0.000 2.276 179 N HA 0.374 5.100 4.740 -0.023 0.000 0.212 179 N C -0.446 175.187 175.510 0.204 0.000 1.127 179 N CA 0.259 53.392 53.050 0.138 0.000 0.834 179 N CB 0.208 38.793 38.487 0.165 0.000 1.014 179 N HN 0.536 8.916 8.380 -0.000 0.000 0.491 180 M N 0.186 119.895 119.600 0.182 0.000 2.550 180 M HA 0.469 4.935 4.480 -0.023 0.000 0.292 180 M C -1.226 175.204 176.300 0.217 0.000 1.221 180 M CA -1.011 54.374 55.300 0.142 0.000 0.873 180 M CB 2.548 35.204 32.600 0.094 0.000 1.727 180 M HN -0.048 8.242 8.290 -0.000 0.000 0.459 181 F N -1.110 118.882 119.950 0.070 0.000 2.643 181 F HA 0.853 5.368 4.527 -0.021 0.000 0.314 181 F C -1.441 174.406 175.800 0.079 0.000 1.096 181 F CA -1.230 56.807 58.000 0.061 0.000 0.953 181 F CB 0.865 39.898 39.000 0.056 0.000 1.345 181 F HN 0.475 8.775 8.300 -0.000 0.000 0.468 182 c N 2.035 120.790 118.600 0.257 0.000 2.358 182 c HA 0.911 5.466 4.570 -0.023 0.000 0.342 182 c C 0.044 174.321 174.090 0.311 0.000 1.234 182 c CA -0.162 56.268 56.329 0.168 0.000 1.969 182 c CB 0.491 43.075 42.510 0.124 0.000 2.346 182 c HN 1.013 9.243 8.230 -0.000 0.000 0.525 183 A N 2.618 125.606 122.820 0.280 0.000 2.499 183 A HA 0.639 4.945 4.320 -0.023 0.000 0.280 183 A C -1.451 176.180 177.584 0.078 0.000 1.135 183 A CA -0.337 51.785 52.037 0.142 0.000 0.744 183 A CB 0.268 19.261 19.000 -0.012 0.000 1.213 183 A HN 0.789 8.939 8.150 -0.000 0.000 0.434 184 Y N 2.773 123.109 120.300 0.061 0.000 2.383 184 Y HA 0.295 4.830 4.550 -0.024 0.000 0.344 184 Y C 1.293 177.212 175.900 0.031 0.000 0.986 184 Y CA -0.439 57.687 58.100 0.042 0.000 1.175 184 Y CB 1.237 39.719 38.460 0.036 0.000 1.152 184 Y HN 0.662 8.942 8.280 -0.000 0.000 0.511 185 L N 2.288 123.582 121.223 0.118 0.000 2.265 185 L HA -0.166 4.160 4.340 -0.023 0.000 0.215 185 L C 2.031 178.947 176.870 0.076 0.000 1.117 185 L CA 0.945 55.827 54.840 0.069 0.000 0.782 185 L CB -0.092 41.990 42.059 0.039 0.000 0.914 185 L HN 0.717 8.947 8.230 -0.000 0.000 0.441 186 E N 0.897 121.164 120.200 0.111 0.000 2.418 186 E HA -0.004 4.332 4.350 -0.023 0.000 0.197 186 E C 0.947 177.587 176.600 0.067 0.000 1.026 186 E CA 0.765 57.210 56.400 0.075 0.000 0.862 186 E CB -0.355 29.385 29.700 0.067 0.000 0.799 186 E HN 0.305 8.665 8.360 -0.000 0.000 0.518 187 G N 2.034 110.896 108.800 0.104 0.000 3.396 187 G HA2 -0.254 3.692 3.960 -0.023 0.000 0.682 187 G HA3 -0.254 3.692 3.960 -0.023 0.000 0.682 187 G C -0.707 174.230 174.900 0.062 0.000 0.924 187 G CA -0.056 45.096 45.100 0.086 0.000 0.770 187 G HN 0.226 8.516 8.290 -0.000 0.000 0.484 188 K N 0.552 120.988 120.400 0.061 0.000 7.396 188 K HA -0.030 4.276 4.320 -0.023 0.000 0.647 188 K C -0.322 176.404 176.600 0.209 0.000 2.584 188 K CA 1.542 57.890 56.287 0.102 0.000 1.938 188 K CB -0.058 32.460 32.500 0.030 0.000 1.962 188 K HN 1.084 9.334 8.250 -0.000 0.000 0.295 189 D N -0.303 120.190 120.400 0.156 0.000 2.755 189 D HA 0.219 4.845 4.640 -0.023 0.000 0.277 189 D C -1.084 175.293 176.300 0.129 0.000 1.261 189 D CA 0.099 54.194 54.000 0.158 0.000 0.759 189 D CB 1.277 42.150 40.800 0.123 0.000 1.279 189 D HN 0.363 8.733 8.370 -0.000 0.000 0.420 190 S N -0.374 115.415 115.700 0.149 0.000 2.632 190 S HA 0.744 5.200 4.470 -0.023 0.000 0.267 190 S C 0.148 174.802 174.600 0.089 0.000 1.276 190 S CA -0.475 57.800 58.200 0.125 0.000 0.998 190 S CB 1.506 64.810 63.200 0.174 0.000 0.953 190 S HN 0.688 8.998 8.310 -0.000 0.000 0.547 191 c N 0.010 118.670 118.600 0.100 0.000 3.314 191 c HA 0.512 5.068 4.570 -0.023 0.000 0.344 191 c C -1.330 172.851 174.090 0.152 0.000 1.461 191 c CA -0.537 55.855 56.329 0.104 0.000 1.249 191 c CB 0.996 43.558 42.510 0.086 0.000 1.632 191 c HN 1.000 9.230 8.230 -0.000 0.000 0.452 192 Q N 0.800 120.706 119.800 0.177 0.000 2.269 192 Q HA 0.408 4.734 4.340 -0.023 0.000 0.300 192 Q C 0.992 177.179 176.000 0.311 0.000 1.070 192 Q CA 2.199 58.142 55.803 0.232 0.000 0.957 192 Q CB 0.144 29.030 28.738 0.247 0.000 1.131 192 Q HN 1.544 9.814 8.270 -0.000 0.000 0.377 193 G N 2.654 111.621 108.800 0.279 0.000 2.213 193 G HA2 -0.212 3.734 3.960 -0.023 0.000 0.226 193 G HA3 -0.212 3.734 3.960 -0.023 0.000 0.226 193 G C 0.428 175.538 174.900 0.349 0.000 0.992 193 G CA 0.114 45.413 45.100 0.332 0.000 0.632 193 G HN 0.622 8.912 8.290 -0.000 0.000 0.511 194 D N 0.889 121.440 120.400 0.252 0.000 2.354 194 D HA 0.217 4.843 4.640 -0.023 0.000 0.209 194 D C 1.340 177.738 176.300 0.163 0.000 1.015 194 D CA 0.575 54.698 54.000 0.204 0.000 0.867 194 D CB 0.212 41.106 40.800 0.157 0.000 0.933 194 D HN 0.323 8.693 8.370 -0.000 0.000 0.520 195 S N -0.471 115.327 115.700 0.163 0.000 2.561 195 S HA 0.256 4.712 4.470 -0.023 0.000 0.294 195 S C 1.560 176.178 174.600 0.030 0.000 1.294 195 S CA 0.993 59.279 58.200 0.143 0.000 1.055 195 S CB 0.770 64.130 63.200 0.267 0.000 0.819 195 S HN 0.495 8.805 8.310 -0.000 0.000 0.503 196 G N 2.200 111.003 108.800 0.004 0.000 2.225 196 G HA2 -0.200 3.746 3.960 -0.023 0.000 0.254 196 G HA3 -0.200 3.746 3.960 -0.023 0.000 0.254 196 G C 0.441 175.367 174.900 0.043 0.000 0.988 196 G CA 0.072 45.153 45.100 -0.031 0.000 0.625 196 G HN 1.125 9.415 8.290 -0.000 0.000 0.527 197 G N 0.667 109.520 108.800 0.088 0.000 2.616 197 G HA2 0.633 4.579 3.960 -0.023 0.000 0.268 197 G HA3 0.633 4.579 3.960 -0.023 0.000 0.268 197 G C -2.085 172.894 174.900 0.131 0.000 1.213 197 G CA -0.351 44.817 45.100 0.113 0.000 0.926 197 G HN 0.343 8.633 8.290 -0.000 0.000 0.523 198 P HA 0.348 4.769 4.420 -0.000 0.000 0.286 198 P C -0.868 176.493 177.300 0.103 0.000 1.261 198 P CA -0.424 62.765 63.100 0.147 0.000 0.821 198 P CB 1.952 33.804 31.700 0.253 0.000 1.013 199 V N 3.627 123.580 119.914 0.065 0.000 2.376 199 V HA 0.237 4.343 4.120 -0.023 0.000 0.287 199 V C 0.196 176.299 176.094 0.015 0.000 1.015 199 V CA -0.655 61.644 62.300 -0.002 0.000 0.834 199 V CB 1.845 33.617 31.823 -0.085 0.000 1.001 199 V HN 0.275 8.465 8.190 -0.000 0.000 0.428 200 V N 4.215 124.133 119.914 0.006 0.000 2.459 200 V HA 0.531 4.637 4.120 -0.023 0.000 0.295 200 V C -0.283 175.795 176.094 -0.026 0.000 1.029 200 V CA -0.299 61.982 62.300 -0.032 0.000 0.874 200 V CB 1.783 33.579 31.823 -0.045 0.000 0.985 200 V HN 0.993 9.183 8.190 -0.000 0.000 0.438 201 c N 2.590 121.161 118.600 -0.047 0.000 2.482 201 c HA 0.534 5.090 4.570 -0.023 0.000 0.317 201 c C 0.944 175.005 174.090 -0.048 0.000 1.197 201 c CA -0.698 55.602 56.329 -0.049 0.000 1.432 201 c CB 0.872 43.335 42.510 -0.079 0.000 2.062 201 c HN 1.042 9.272 8.230 -0.000 0.000 0.471 202 S N 0.796 116.476 115.700 -0.034 0.000 3.473 202 S HA -0.166 4.290 4.470 -0.023 0.000 0.339 202 S C 1.186 175.767 174.600 -0.032 0.000 1.148 202 S CA 1.780 59.963 58.200 -0.030 0.000 0.969 202 S CB -1.656 61.522 63.200 -0.037 0.000 0.936 202 S HN 2.559 10.870 8.310 -0.000 0.000 0.530 203 G N -0.684 108.094 108.800 -0.036 0.000 2.143 203 G HA2 -0.302 3.644 3.960 -0.023 0.000 0.249 203 G HA3 -0.302 3.644 3.960 -0.023 0.000 0.249 203 G C -0.042 174.805 174.900 -0.088 0.000 0.981 203 G CA 0.775 45.844 45.100 -0.050 0.000 0.665 203 G HN 0.576 8.866 8.290 -0.000 0.000 0.528 210 Q N 2.467 122.285 119.800 0.031 0.000 2.378 210 Q HA 0.525 4.851 4.340 -0.023 0.000 0.229 210 Q C 0.554 176.710 176.000 0.260 0.000 0.882 210 Q CA 0.818 56.663 55.803 0.069 0.000 0.936 210 Q CB 1.879 30.587 28.738 -0.050 0.000 1.092 210 Q HN 0.770 9.040 8.270 -0.000 0.000 0.535 211 G N 0.120 109.085 108.800 0.274 0.000 2.690 211 G HA2 0.677 4.623 3.960 -0.023 0.000 0.291 211 G HA3 0.677 4.623 3.960 -0.023 0.000 0.291 211 G C -1.368 173.649 174.900 0.195 0.000 1.403 211 G CA -0.543 44.764 45.100 0.346 0.000 0.864 211 G HN 0.009 8.299 8.290 -0.000 0.000 0.480 212 I N 0.716 121.399 120.570 0.188 0.000 2.465 212 I HA 0.263 4.419 4.170 -0.023 0.000 0.291 212 I C -0.003 176.247 176.117 0.221 0.000 1.014 212 I CA -1.086 60.309 61.300 0.158 0.000 1.093 212 I CB 2.376 40.428 38.000 0.086 0.000 1.267 212 I HN 0.138 8.348 8.210 -0.000 0.000 0.431 213 V N 5.193 125.251 119.914 0.239 0.000 2.493 213 V HA -0.011 4.095 4.120 -0.023 0.000 0.292 213 V C 0.780 176.903 176.094 0.049 0.000 1.016 213 V CA 0.751 63.144 62.300 0.155 0.000 1.097 213 V CB 0.804 32.733 31.823 0.178 0.000 0.947 213 V HN 0.973 9.163 8.190 -0.000 0.000 0.479 214 S N 4.965 120.601 115.700 -0.107 0.000 3.334 214 S HA 0.362 4.818 4.470 -0.023 0.000 0.224 214 S C -0.059 174.638 174.600 0.161 0.000 0.959 214 S CA 0.010 58.300 58.200 0.150 0.000 0.815 214 S CB 0.554 63.834 63.200 0.134 0.000 0.861 214 S HN 0.879 9.189 8.310 -0.000 0.000 0.596 215 W N 0.092 121.240 121.300 -0.253 0.000 2.923 215 W HA 0.647 5.293 4.660 -0.025 0.000 0.373 215 W C -0.493 175.857 176.519 -0.281 0.000 1.205 215 W CA -0.462 56.739 57.345 -0.239 0.000 1.180 215 W CB 0.354 29.673 29.460 -0.235 0.000 1.477 215 W HN 0.600 8.780 8.180 -0.000 0.000 0.581 216 G N 0.181 109.016 108.800 0.060 0.000 2.441 216 G HA2 0.412 4.358 3.960 -0.023 0.000 0.294 216 G HA3 0.412 4.358 3.960 -0.023 0.000 0.294 216 G C -1.963 173.111 174.900 0.289 0.000 1.393 216 G CA -0.373 44.683 45.100 -0.074 0.000 0.796 216 G HN 0.627 8.917 8.290 -0.000 0.000 0.494 220 c N 0.979 119.621 118.600 0.070 0.000 3.465 220 c HA 0.813 5.369 4.570 -0.023 0.000 0.193 220 c C -0.554 173.572 174.090 0.059 0.000 1.515 220 c CA -0.711 55.657 56.329 0.064 0.000 1.340 220 c CB -0.760 41.785 42.510 0.058 0.000 1.928 220 c HN 0.604 8.834 8.230 -0.000 0.000 0.510 221 Q N 0.170 120.002 119.800 0.053 0.000 2.896 221 Q HA 0.125 4.451 4.340 -0.023 0.000 0.241 221 Q C -1.303 174.714 176.000 0.028 0.000 0.999 221 Q CA -0.337 55.488 55.803 0.036 0.000 0.912 221 Q CB 0.831 29.589 28.738 0.033 0.000 2.012 221 Q HN 0.555 8.825 8.270 -0.000 0.000 0.489 222 K N 2.010 122.420 120.400 0.018 0.000 2.491 222 K HA 0.041 4.347 4.320 -0.023 0.000 0.279 222 K C 0.340 176.931 176.600 -0.015 0.000 1.026 222 K CA 0.278 56.572 56.287 0.011 0.000 1.070 222 K CB 0.142 32.645 32.500 0.006 0.000 0.887 222 K HN 0.535 8.785 8.250 -0.000 0.000 0.481 223 N N 1.767 120.455 118.700 -0.019 0.000 2.753 223 N HA -0.166 4.560 4.740 -0.023 0.000 0.251 223 N C -1.041 174.381 175.510 -0.145 0.000 1.097 223 N CA 1.178 54.189 53.050 -0.065 0.000 0.786 223 N CB -0.333 38.109 38.487 -0.075 0.000 1.137 223 N HN 0.519 8.899 8.380 -0.000 0.000 0.566 224 K N 0.147 120.487 120.400 -0.100 0.000 2.842 224 K HA 0.283 4.588 4.320 -0.023 0.000 0.176 224 K C -2.392 174.236 176.600 0.046 0.000 1.080 224 K CA -1.103 55.093 56.287 -0.153 0.000 0.954 224 K CB 1.993 34.449 32.500 -0.073 0.000 1.203 224 K HN 0.139 8.389 8.250 -0.000 0.000 0.611 225 P HA 0.014 4.434 4.420 -0.000 0.000 0.271 225 P C 0.446 177.795 177.300 0.081 0.000 1.233 225 P CA -0.071 63.091 63.100 0.103 0.000 0.789 225 P CB 0.853 32.604 31.700 0.086 0.000 0.951 226 G N 0.226 109.030 108.800 0.006 0.000 2.527 226 G HA2 0.400 4.346 3.960 -0.023 0.000 0.248 226 G HA3 0.400 4.346 3.960 -0.023 0.000 0.248 226 G C -0.529 174.051 174.900 -0.535 0.000 1.231 226 G CA -0.392 44.539 45.100 -0.282 0.000 0.838 226 G HN 0.362 8.652 8.290 -0.000 0.000 0.570 227 V N 1.473 120.755 119.914 -1.053 0.000 2.513 227 V HA 0.517 4.623 4.120 -0.023 0.000 0.299 227 V C -0.969 174.375 176.094 -1.250 0.000 1.035 227 V CA -0.622 61.006 62.300 -1.121 0.000 0.889 227 V CB 1.184 31.970 31.823 -1.728 0.000 0.988 227 V HN 0.645 8.835 8.190 -0.000 0.000 0.440 228 Y N 0.430 120.316 120.300 -0.690 0.000 2.512 228 Y HA 0.481 5.018 4.550 -0.021 0.000 0.348 228 Y C 0.681 176.298 175.900 -0.472 0.000 0.990 228 Y CA -0.856 56.857 58.100 -0.644 0.000 1.033 228 Y CB 1.996 39.815 38.460 -1.068 0.000 1.259 228 Y HN 0.550 8.830 8.280 -0.000 0.000 0.461 229 T N 2.490 117.017 114.554 -0.045 0.000 2.870 229 T HA 0.065 4.401 4.350 -0.023 0.000 0.300 229 T C 0.035 174.879 174.700 0.240 0.000 0.989 229 T CA -0.490 61.665 62.100 0.092 0.000 1.139 229 T CB 0.211 69.118 68.868 0.064 0.000 0.920 229 T HN 0.386 8.626 8.240 -0.000 0.000 0.537 230 K N 3.763 124.394 120.400 0.384 0.000 2.171 230 K HA 0.202 4.508 4.320 -0.023 0.000 0.274 230 K C 1.002 177.858 176.600 0.426 0.000 1.110 230 K CA -0.311 56.278 56.287 0.503 0.000 0.952 230 K CB -0.156 32.589 32.500 0.408 0.000 1.309 230 K HN 0.390 8.640 8.250 -0.000 0.000 0.414 231 V N 3.253 123.397 119.914 0.382 0.000 2.568 231 V HA -0.330 3.776 4.120 -0.023 0.000 0.253 231 V C 2.241 178.498 176.094 0.271 0.000 1.072 231 V CA 1.831 64.343 62.300 0.354 0.000 1.084 231 V CB -0.930 31.029 31.823 0.227 0.000 0.676 231 V HN 0.994 9.184 8.190 -0.000 0.000 0.469 232 c N 0.198 118.886 118.600 0.147 0.000 2.422 232 c HA -0.044 4.512 4.570 -0.023 0.000 0.286 232 c C 2.199 176.295 174.090 0.010 0.000 1.412 232 c CA 0.448 56.814 56.329 0.062 0.000 1.786 232 c CB -1.649 40.865 42.510 0.006 0.000 1.835 232 c HN 0.571 8.801 8.230 -0.000 0.000 0.533 233 N N 0.121 118.779 118.700 -0.069 0.000 2.494 233 N HA 0.038 4.764 4.740 -0.023 0.000 0.182 233 N C 0.650 175.895 175.510 -0.442 0.000 1.076 233 N CA 0.989 53.848 53.050 -0.319 0.000 0.908 233 N CB -0.362 37.789 38.487 -0.560 0.000 0.967 233 N HN 0.767 9.147 8.380 -0.000 0.000 0.449 234 Y N -1.265 119.095 120.300 0.100 0.000 2.500 234 Y HA 0.270 4.807 4.550 -0.021 0.000 0.246 234 Y C 1.783 177.825 175.900 0.237 0.000 1.146 234 Y CA -0.282 57.935 58.100 0.195 0.000 1.230 234 Y CB 0.223 38.818 38.460 0.224 0.000 1.214 234 Y HN -0.207 8.073 8.280 -0.000 0.000 0.526 235 V N 0.014 120.066 119.914 0.231 0.000 2.332 235 V HA -0.308 3.798 4.120 -0.023 0.000 0.248 235 V C 2.287 178.453 176.094 0.119 0.000 1.055 235 V CA 2.497 64.887 62.300 0.150 0.000 1.038 235 V CB -0.832 31.038 31.823 0.079 0.000 0.651 235 V HN 0.576 8.766 8.190 -0.000 0.000 0.450 236 S N -1.105 114.669 115.700 0.124 0.000 2.383 236 S HA -0.263 4.193 4.470 -0.023 0.000 0.227 236 S C 1.659 176.332 174.600 0.121 0.000 1.026 236 S CA 1.302 59.555 58.200 0.089 0.000 0.981 236 S CB -0.814 62.434 63.200 0.080 0.000 0.818 236 S HN 0.736 9.046 8.310 -0.000 0.000 0.472 237 W N 2.468 123.809 121.300 0.068 0.000 2.355 237 W HA 0.029 4.674 4.660 -0.025 0.000 0.309 237 W C 1.762 178.298 176.519 0.028 0.000 1.206 237 W CA 1.111 58.507 57.345 0.084 0.000 1.284 237 W CB -0.548 29.049 29.460 0.228 0.000 1.145 237 W HN 0.230 8.410 8.180 -0.000 0.000 0.502 238 I N 0.945 121.464 120.570 -0.084 0.000 2.127 238 I HA -0.392 3.764 4.170 -0.023 0.000 0.241 238 I C 2.472 178.337 176.117 -0.420 0.000 1.075 238 I CA 2.009 63.080 61.300 -0.382 0.000 1.334 238 I CB -0.665 37.297 38.000 -0.063 0.000 1.040 238 I HN -0.033 8.177 8.210 -0.000 0.000 0.405 239 K N 0.033 120.295 120.400 -0.229 0.000 2.057 239 K HA -0.238 4.068 4.320 -0.023 0.000 0.207 239 K C 2.207 178.651 176.600 -0.260 0.000 1.049 239 K CA 1.192 57.346 56.287 -0.221 0.000 0.931 239 K CB -0.239 32.193 32.500 -0.114 0.000 0.714 239 K HN 0.330 8.580 8.250 -0.000 0.000 0.440 240 Q N 0.781 120.440 119.800 -0.234 0.000 2.020 240 Q HA -0.161 4.165 4.340 -0.023 0.000 0.202 240 Q C 1.844 177.651 176.000 -0.322 0.000 0.982 240 Q CA 2.125 57.801 55.803 -0.211 0.000 0.838 240 Q CB -0.238 28.421 28.738 -0.131 0.000 0.899 240 Q HN 0.259 8.529 8.270 -0.000 0.000 0.423 241 T N 1.556 115.796 114.554 -0.524 0.000 2.684 241 T HA -0.151 4.185 4.350 -0.023 0.000 0.267 241 T C 1.940 176.231 174.700 -0.682 0.000 1.036 241 T CA 1.450 63.182 62.100 -0.613 0.000 1.148 241 T CB -0.234 68.044 68.868 -0.983 0.000 0.863 241 T HN 0.164 8.404 8.240 -0.000 0.000 0.436 242 I N 1.479 121.517 120.570 -0.888 0.000 2.286 242 I HA -0.084 4.072 4.170 -0.023 0.000 0.248 242 I C 2.553 178.374 176.117 -0.494 0.000 1.115 242 I CA 0.820 61.437 61.300 -1.139 0.000 1.392 242 I CB -0.658 36.740 38.000 -1.004 0.000 1.065 242 I HN 0.200 8.410 8.210 -0.000 0.000 0.418 243 A N -1.393 121.237 122.820 -0.317 0.000 2.119 243 A HA 0.019 4.325 4.320 -0.023 0.000 0.216 243 A C 2.118 179.648 177.584 -0.091 0.000 1.152 243 A CA 1.210 53.156 52.037 -0.151 0.000 0.708 243 A CB -0.346 18.581 19.000 -0.123 0.000 0.805 243 A HN 0.354 8.504 8.150 -0.000 0.000 0.460 244 S N 0.266 115.895 115.700 -0.118 0.000 2.568 244 S HA 0.239 4.695 4.470 -0.023 0.000 0.232 244 S C 0.222 174.826 174.600 0.007 0.000 0.975 244 S CA -0.572 57.596 58.200 -0.054 0.000 0.949 244 S CB -0.092 63.063 63.200 -0.074 0.000 0.829 244 S HN 0.595 8.905 8.310 -0.000 0.000 0.479 245 N N 0.000 118.746 118.700 0.077 0.000 1.763 245 N HA 0.000 4.726 4.740 -0.023 0.000 0.220 245 N CA 0.000 53.173 53.050 0.205 0.000 0.885 245 N CB 0.000 38.674 38.487 0.312 0.000 1.341 245 N HN 0.000 8.380 8.380 -0.000 0.000 0.667