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 1o2w_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 4.188 4.170 0.030 0.000 0.288 16 I C 0.000 176.113 176.117 -0.007 0.000 1.063 16 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 16 I CB 0.000 37.963 38.000 -0.062 0.000 1.214 17 V N 5.235 125.155 119.914 0.010 0.000 2.435 17 V HA 0.265 4.512 4.120 -0.011 -0.134 0.290 17 V C 0.543 176.639 176.094 0.003 0.000 1.030 17 V CA -1.665 60.637 62.300 0.003 0.000 0.881 17 V CB 1.409 33.240 31.823 0.013 0.000 0.983 17 V HN 0.926 9.135 8.190 0.031 0.000 0.445 18 G N 6.854 115.649 108.800 -0.008 0.000 2.179 18 G HA2 -0.396 3.556 3.960 -0.013 0.000 0.257 18 G HA3 -0.396 3.719 3.960 -0.029 -0.172 0.257 18 G C -0.691 174.213 174.900 0.007 0.000 1.010 18 G CA 0.540 45.632 45.100 -0.013 0.000 0.736 18 G HN 0.785 9.069 8.290 -0.010 0.000 0.513 19 G N -1.150 107.654 108.800 0.006 0.000 2.702 19 G HA2 0.496 4.494 3.960 0.082 0.000 0.254 19 G HA3 0.496 4.489 3.960 -0.090 -0.087 0.254 19 G C -1.727 173.216 174.900 0.072 0.000 1.380 19 G CA -1.062 44.043 45.100 0.009 0.000 1.042 19 G HN -0.661 7.590 8.290 -0.012 0.032 0.557 20 Y N -6.120 114.159 120.300 -0.035 0.000 2.638 20 Y HA 0.395 4.927 4.550 -0.031 0.000 0.339 20 Y C -1.776 174.096 175.900 -0.047 0.000 1.084 20 Y CA -2.862 55.218 58.100 -0.035 0.000 1.068 20 Y CB 1.193 39.636 38.460 -0.029 0.000 1.294 20 Y HN 0.343 8.216 8.280 -0.503 0.105 0.480 21 T N 2.511 117.118 114.554 0.087 0.000 2.799 21 T HA 0.077 4.498 4.350 -0.099 -0.131 0.296 21 T C 0.243 174.961 174.700 0.030 0.000 0.947 21 T CA 1.035 63.133 62.100 -0.003 0.000 1.141 21 T CB -0.150 68.743 68.868 0.041 0.000 0.891 21 T HN 0.016 8.360 8.240 0.174 0.000 0.533 22 c N 6.329 124.852 118.600 -0.128 0.000 2.429 22 c HA -0.123 4.435 4.570 -0.020 0.000 0.277 22 c C 0.165 174.276 174.090 0.034 0.000 1.262 22 c CA 0.984 57.269 56.329 -0.072 0.000 1.733 22 c CB 0.218 42.617 42.510 -0.186 0.000 2.010 22 c HN 0.132 8.236 8.230 -0.210 0.000 0.483 23 G N -2.320 106.483 108.800 0.003 0.000 2.885 23 G HA2 -0.174 3.802 3.960 0.026 0.000 0.685 23 G HA3 -0.174 3.806 3.960 0.032 0.000 0.685 23 G C -1.924 172.977 174.900 0.001 0.000 1.216 23 G CA -0.828 44.284 45.100 0.020 0.000 0.790 23 G HN -0.365 7.909 8.290 -0.028 0.000 0.631 24 A N 4.027 126.856 122.820 0.014 0.000 2.567 24 A HA -0.230 4.253 4.320 0.027 -0.148 0.240 24 A C -0.135 177.454 177.584 0.009 0.000 1.053 24 A CA 1.116 53.165 52.037 0.020 0.000 0.755 24 A CB 0.098 19.116 19.000 0.030 0.000 0.978 24 A HN 0.326 8.488 8.150 0.021 0.000 0.507 25 N N -2.804 115.899 118.700 0.006 0.000 2.693 25 N HA -0.386 4.346 4.740 -0.013 0.000 0.249 25 N C 0.485 175.978 175.510 -0.029 0.000 1.119 25 N CA 1.720 54.765 53.050 -0.008 0.000 0.717 25 N CB -0.990 37.504 38.487 0.010 0.000 1.071 25 N HN 0.531 8.922 8.380 0.019 0.000 0.555 26 T N -3.710 110.818 114.554 -0.043 0.000 3.100 26 T HA 0.004 4.347 4.350 -0.012 0.000 0.253 26 T C -0.042 174.607 174.700 -0.085 0.000 1.118 26 T CA 1.983 64.062 62.100 -0.035 0.000 1.058 26 T CB 0.443 69.305 68.868 -0.010 0.000 0.953 26 T HN -0.480 7.694 8.240 -0.046 0.038 0.515 27 V N 2.247 122.049 119.914 -0.187 0.000 2.320 27 V HA 0.372 4.228 4.120 -0.440 0.000 0.257 27 V C -1.565 174.222 176.094 -0.512 0.000 0.996 27 V CA -3.336 58.693 62.300 -0.451 0.000 0.928 27 V CB 0.614 32.150 31.823 -0.478 0.000 1.169 27 V HN -0.520 7.504 8.190 -0.158 0.071 0.475 28 P HA 0.060 4.519 4.420 -0.079 -0.087 0.230 28 P C -0.038 177.228 177.300 -0.056 0.000 1.158 28 P CA 1.542 64.579 63.100 -0.106 0.000 0.769 28 P CB 0.087 31.796 31.700 0.015 0.000 0.807 29 Y N -6.011 114.315 120.300 0.044 0.000 2.457 29 Y HA 0.520 5.248 4.550 0.058 -0.143 0.263 29 Y C -0.648 175.291 175.900 0.064 0.000 1.164 29 Y CA -3.328 54.803 58.100 0.053 0.000 1.274 29 Y CB -1.237 37.250 38.460 0.045 0.000 1.097 29 Y HN -0.405 7.302 8.280 -0.849 0.063 0.523 30 Q N 2.751 122.420 119.800 -0.217 0.000 2.304 30 Q HA 0.229 4.754 4.340 0.083 -0.135 0.260 30 Q C -0.334 175.749 176.000 0.138 0.000 0.965 30 Q CA 0.083 55.866 55.803 -0.033 0.000 0.898 30 Q CB 1.257 29.876 28.738 -0.199 0.000 1.196 30 Q HN -0.590 7.220 8.270 -0.489 0.167 0.402 31 V N 1.172 121.204 119.914 0.196 0.000 3.074 31 V HA 0.833 5.178 4.120 0.182 -0.116 0.314 31 V C -2.021 174.215 176.094 0.236 0.000 1.117 31 V CA -2.931 59.477 62.300 0.179 0.000 1.014 31 V CB 3.925 35.802 31.823 0.091 0.000 1.057 31 V HN 0.260 8.563 8.190 0.188 0.000 0.438 32 S N 0.372 116.110 115.700 0.064 0.000 2.473 32 S HA 0.446 5.127 4.470 0.170 -0.109 0.307 32 S C -1.107 173.351 174.600 -0.236 0.000 1.094 32 S CA -1.940 56.232 58.200 -0.046 0.000 1.070 32 S CB 1.876 64.841 63.200 -0.393 0.000 1.019 32 S HN 0.156 8.465 8.310 -0.002 0.000 0.480 33 L N 6.988 127.930 121.223 -0.469 0.000 2.275 33 L HA 0.554 4.773 4.340 -0.419 -0.130 0.288 33 L C -1.540 174.809 176.870 -0.869 0.000 1.046 33 L CA -0.875 53.546 54.840 -0.698 0.000 0.805 33 L CB 0.878 42.306 42.059 -1.052 0.000 1.193 33 L HN 0.797 8.710 8.230 -0.529 0.000 0.426 38 G N -0.044 108.670 108.800 -0.144 0.000 2.176 38 G HA2 -0.291 3.660 3.960 -0.014 0.000 0.232 38 G HA3 -0.291 3.738 3.960 0.116 0.000 0.232 38 G C -1.574 173.423 174.900 0.161 0.000 0.986 38 G CA 0.366 45.485 45.100 0.032 0.000 0.643 38 G HN 0.242 8.776 8.290 -0.188 -0.357 0.522 39 Y N -7.625 112.646 120.300 -0.047 0.000 2.732 39 Y HA 0.188 4.696 4.550 -0.070 0.000 0.342 39 Y C -2.519 173.372 175.900 -0.016 0.000 1.203 39 Y CA -3.596 54.477 58.100 -0.045 0.000 1.092 39 Y CB 0.770 39.203 38.460 -0.045 0.000 1.345 39 Y HN -1.253 6.833 8.280 -0.350 -0.017 0.458 40 H N 2.907 121.907 119.070 -0.116 0.000 2.767 40 H HA 0.057 4.549 4.556 -0.378 -0.163 0.316 40 H C -0.405 174.882 175.328 -0.068 0.000 1.059 40 H CA -0.452 55.455 56.048 -0.235 0.000 1.461 40 H CB 0.321 29.933 29.762 -0.250 0.000 1.475 40 H HN 0.306 8.672 8.280 0.142 0.000 0.531 41 F N 2.400 121.891 119.950 -0.764 0.000 2.834 41 F HA 0.317 4.734 4.527 -0.184 0.000 0.332 41 F C -1.503 174.028 175.800 -0.448 0.000 1.056 41 F CA -0.703 57.039 58.000 -0.429 0.000 1.178 41 F CB 1.558 40.379 39.000 -0.299 0.000 1.037 41 F HN 0.300 7.858 8.300 -1.237 0.000 0.580 42 c N -1.679 116.228 118.600 -1.154 0.000 3.306 42 c HA 0.313 4.748 4.570 -0.225 0.000 0.335 42 c C -1.736 172.123 174.090 -0.385 0.000 1.382 42 c CA -0.127 55.872 56.329 -0.550 0.000 1.254 42 c CB 4.010 46.284 42.510 -0.392 0.000 1.555 42 c HN -0.791 6.434 8.230 -1.676 0.000 0.463 43 G N -0.967 107.810 108.800 -0.038 0.000 2.705 43 G HA2 0.813 5.045 3.960 0.216 0.000 0.299 43 G HA3 0.813 4.897 3.960 0.208 0.000 0.299 43 G C -2.518 172.399 174.900 0.029 0.000 1.315 43 G CA -1.651 43.524 45.100 0.125 0.000 1.045 43 G HN 0.789 9.069 8.290 -0.015 0.000 0.517 44 G N -4.071 104.783 108.800 0.090 0.000 2.506 44 G HA2 0.506 4.810 3.960 0.073 0.000 0.292 44 G HA3 0.506 4.497 3.960 0.051 0.000 0.292 44 G C -2.933 172.050 174.900 0.140 0.000 1.425 44 G CA 0.348 45.497 45.100 0.082 0.000 0.788 44 G HN -0.601 7.777 8.290 0.148 0.000 0.490 45 S N -0.485 115.304 115.700 0.148 0.000 2.532 45 S HA 0.839 5.683 4.470 0.268 -0.213 0.299 45 S C -1.310 173.392 174.600 0.171 0.000 1.105 45 S CA -0.901 57.420 58.200 0.201 0.000 1.018 45 S CB 3.806 67.112 63.200 0.177 0.000 1.021 45 S HN 0.350 8.734 8.310 0.123 0.000 0.483 46 L N 6.242 127.581 121.223 0.195 0.000 2.313 46 L HA 0.168 4.712 4.340 0.149 -0.115 0.282 46 L C -0.735 176.220 176.870 0.142 0.000 1.092 46 L CA -0.074 54.863 54.840 0.161 0.000 0.831 46 L CB 1.101 43.254 42.059 0.157 0.000 1.159 46 L HN 0.394 8.777 8.230 0.254 0.000 0.442 47 I N 0.794 121.445 120.570 0.135 0.000 4.070 47 I HA 0.510 4.873 4.170 0.067 -0.152 0.328 47 I C -0.960 175.215 176.117 0.096 0.000 1.298 47 I CA -0.637 60.719 61.300 0.094 0.000 1.173 47 I CB 0.914 38.959 38.000 0.076 0.000 1.051 47 I HN 0.365 8.673 8.210 0.163 0.000 0.409 48 N N -2.004 116.776 118.700 0.133 0.000 3.179 48 N HA 0.138 4.934 4.740 0.093 0.000 0.250 48 N C -0.332 175.258 175.510 0.133 0.000 1.507 48 N CA -0.497 52.628 53.050 0.126 0.000 0.883 48 N CB 0.667 39.238 38.487 0.141 0.000 1.435 48 N HN -0.918 7.558 8.380 0.160 0.000 0.532 49 S N -3.662 112.103 115.700 0.109 0.000 2.547 49 S HA -0.298 4.215 4.470 0.073 0.000 0.235 49 S C 0.745 175.381 174.600 0.060 0.000 0.980 49 S CA 2.652 60.899 58.200 0.079 0.000 0.941 49 S CB -0.139 63.095 63.200 0.056 0.000 0.763 49 S HN 0.371 8.742 8.310 0.101 0.000 0.532 50 Q N -0.275 119.579 119.800 0.090 0.000 2.164 50 Q HA 0.344 4.632 4.340 -0.087 0.000 0.226 50 Q C -2.161 173.725 176.000 -0.190 0.000 0.813 50 Q CA -0.354 55.410 55.803 -0.066 0.000 0.978 50 Q CB 2.747 31.422 28.738 -0.106 0.000 1.149 50 Q HN 0.186 8.884 8.270 0.185 -0.317 0.489 51 W N -2.158 119.149 121.300 0.012 0.000 2.915 51 W HA 0.731 5.598 4.660 0.009 -0.201 0.337 51 W C -1.527 175.007 176.519 0.024 0.000 1.102 51 W CA -1.141 56.210 57.345 0.011 0.000 1.224 51 W CB 3.832 33.289 29.460 -0.004 0.000 1.416 51 W HN -0.285 8.202 8.180 0.276 -0.141 0.503 52 V N 1.319 121.397 119.914 0.274 0.000 2.680 52 V HA 0.778 5.188 4.120 0.173 -0.186 0.309 52 V C -1.416 174.796 176.094 0.196 0.000 1.052 52 V CA -1.681 60.729 62.300 0.184 0.000 0.908 52 V CB 3.545 35.431 31.823 0.105 0.000 1.001 52 V HN 0.882 9.245 8.190 0.290 0.000 0.431 53 V N 6.322 126.328 119.914 0.153 0.000 2.513 53 V HA 0.705 5.080 4.120 0.161 -0.158 0.299 53 V C -1.264 174.890 176.094 0.099 0.000 1.035 53 V CA -1.133 61.249 62.300 0.137 0.000 0.889 53 V CB 1.805 33.701 31.823 0.121 0.000 0.988 53 V HN 0.678 8.952 8.190 0.141 0.000 0.440 54 S N 4.448 120.195 115.700 0.077 0.000 2.998 54 S HA 0.547 5.249 4.470 0.035 -0.212 0.321 54 S C -2.011 172.584 174.600 -0.008 0.000 1.171 54 S CA -2.572 55.645 58.200 0.029 0.000 0.882 54 S CB 2.428 65.631 63.200 0.006 0.000 1.301 54 S HN 0.716 9.082 8.310 0.094 0.000 0.629 55 A N -0.606 122.171 122.820 -0.072 0.000 2.312 55 A HA 0.450 4.867 4.320 -0.096 -0.155 0.326 55 A C 0.569 178.039 177.584 -0.191 0.000 1.172 55 A CA -1.640 50.316 52.037 -0.135 0.000 0.821 55 A CB 1.694 20.567 19.000 -0.212 0.000 1.166 55 A HN 0.231 8.329 8.150 -0.087 0.000 0.493 56 A N 5.160 127.814 122.820 -0.276 0.000 1.978 56 A HA -0.270 3.901 4.320 -0.248 0.000 0.220 56 A C 1.337 178.685 177.584 -0.394 0.000 1.170 56 A CA 2.931 54.685 52.037 -0.472 0.000 0.636 56 A CB -0.405 17.917 19.000 -1.129 0.000 0.810 56 A HN 0.614 8.617 8.150 -0.255 -0.006 0.448 57 H N -4.916 113.981 119.070 -0.289 0.000 2.563 57 H HA -0.066 4.505 4.556 0.025 0.000 0.272 57 H C 0.126 175.498 175.328 0.073 0.000 1.005 57 H CA 1.340 57.381 56.048 -0.013 0.000 1.171 57 H CB -1.193 28.640 29.762 0.119 0.000 1.351 57 H HN 0.048 8.523 8.280 -0.191 -0.310 0.602 58 c N -1.814 116.696 118.600 -0.150 0.000 2.791 58 c HA 0.039 4.658 4.570 0.081 0.000 0.270 58 c C 0.305 174.466 174.090 0.119 0.000 1.257 58 c CA 0.012 56.349 56.329 0.012 0.000 1.699 58 c CB -1.388 41.105 42.510 -0.028 0.000 1.904 58 c HN -0.206 7.706 8.230 -0.208 0.194 0.603 59 Y N 3.144 123.437 120.300 -0.013 0.000 2.712 59 Y HA -0.266 4.300 4.550 0.026 0.000 0.333 59 Y C -1.138 174.738 175.900 -0.040 0.000 1.225 59 Y CA 2.068 60.165 58.100 -0.004 0.000 1.499 59 Y CB 0.741 39.187 38.460 -0.024 0.000 1.288 59 Y HN -0.444 7.744 8.280 0.143 0.178 0.575 60 K N 6.060 125.708 120.400 -1.254 0.000 2.658 60 K HA 0.200 4.064 4.320 -0.760 0.000 0.293 60 K C -2.325 173.747 176.600 -0.880 0.000 1.026 60 K CA -0.969 54.774 56.287 -0.907 0.000 0.871 60 K CB 2.476 34.617 32.500 -0.598 0.000 1.524 60 K HN -0.159 7.287 8.250 -1.339 0.000 0.400 61 S N -0.458 114.952 115.700 -0.483 0.000 2.713 61 S HA 0.136 4.434 4.470 -0.287 0.000 0.283 61 S C 0.696 175.167 174.600 -0.214 0.000 1.161 61 S CA -0.369 57.666 58.200 -0.276 0.000 0.999 61 S CB 1.305 64.437 63.200 -0.114 0.000 1.039 61 S HN -0.175 7.920 8.310 -0.358 0.000 0.548 62 G N 0.005 108.722 108.800 -0.139 0.000 2.289 62 G HA2 -0.247 3.663 3.960 -0.083 0.000 0.280 62 G HA3 -0.247 3.645 3.960 -0.114 0.000 0.280 62 G C -1.591 173.243 174.900 -0.110 0.000 1.089 62 G CA 0.175 45.208 45.100 -0.111 0.000 0.939 62 G HN 0.303 8.526 8.290 -0.111 0.000 0.499 63 I N -1.275 119.241 120.570 -0.091 0.000 2.385 63 I HA 0.117 4.288 4.170 0.002 0.000 0.294 63 I C -1.688 174.389 176.117 -0.067 0.000 0.988 63 I CA -0.887 60.389 61.300 -0.040 0.000 1.265 63 I CB 1.060 39.057 38.000 -0.004 0.000 1.388 63 I HN -0.480 7.673 8.210 -0.096 0.000 0.480 64 Q N 6.705 126.450 119.800 -0.093 0.000 3.106 64 Q HA 0.589 4.977 4.340 -0.090 -0.102 0.247 64 Q C -1.681 174.222 176.000 -0.162 0.000 1.033 64 Q CA -1.980 53.747 55.803 -0.125 0.000 0.888 64 Q CB 4.373 33.005 28.738 -0.177 0.000 1.586 64 Q HN 0.491 8.709 8.270 -0.087 0.000 0.482 65 R N -2.459 117.972 120.500 -0.115 0.000 3.321 65 R HA 0.340 4.918 4.340 0.123 -0.164 0.285 65 R C -1.501 174.827 176.300 0.046 0.000 1.149 65 R CA 0.085 56.160 56.100 -0.043 0.000 1.191 65 R CB 2.171 32.298 30.300 -0.289 0.000 1.276 65 R HN 0.586 8.767 8.270 -0.149 0.000 0.429 70 E N -0.396 119.898 120.200 0.157 0.000 2.283 70 E HA 0.116 4.542 4.350 0.127 0.000 0.271 70 E C -1.840 174.940 176.600 0.299 0.000 1.031 70 E CA 0.237 56.743 56.400 0.177 0.000 0.868 70 E CB 1.542 31.274 29.700 0.053 0.000 1.094 70 E HN -0.622 7.816 8.360 0.179 0.030 0.401 71 D N 1.148 121.700 120.400 0.253 0.000 2.957 71 D HA 0.060 4.910 4.640 0.351 0.000 0.175 71 D C -1.079 175.411 176.300 0.315 0.000 1.502 71 D CA 1.013 55.178 54.000 0.274 0.000 1.524 71 D CB 2.486 43.366 40.800 0.133 0.000 1.300 71 D HN 0.102 8.571 8.370 0.166 0.000 0.241 72 N N 1.065 119.864 118.700 0.165 0.000 2.401 72 N HA 0.149 5.118 4.740 0.171 -0.127 0.255 72 N C 2.153 177.671 175.510 0.013 0.000 1.110 72 N CA -0.451 52.668 53.050 0.116 0.000 0.949 72 N CB 0.447 38.978 38.487 0.073 0.000 1.110 72 N HN -0.402 8.358 8.380 0.123 -0.306 0.490 73 I N 0.875 121.368 120.570 -0.129 0.000 3.444 73 I HA -0.100 4.061 4.170 -0.266 -0.151 0.287 73 I C -0.555 175.476 176.117 -0.143 0.000 1.302 73 I CA 1.322 62.445 61.300 -0.296 0.000 1.368 73 I CB -0.784 36.779 38.000 -0.728 0.000 1.048 73 I HN 0.464 8.615 8.210 -0.098 0.000 0.487 74 N N -2.103 116.561 118.700 -0.061 0.000 2.220 74 N HA 0.115 4.838 4.740 -0.029 0.000 0.195 74 N C -0.819 174.697 175.510 0.011 0.000 1.123 74 N CA 0.090 53.128 53.050 -0.019 0.000 0.874 74 N CB 2.098 40.584 38.487 -0.002 0.000 0.995 74 N HN -0.028 8.599 8.380 -0.039 -0.271 0.498 75 V N -0.017 119.909 119.914 0.020 0.000 2.588 75 V HA 0.036 4.174 4.120 0.029 0.000 0.304 75 V C -1.353 174.764 176.094 0.039 0.000 1.042 75 V CA -1.150 61.168 62.300 0.030 0.000 0.877 75 V CB 3.221 35.060 31.823 0.028 0.000 0.996 75 V HN -0.780 7.475 8.190 0.012 -0.058 0.425 76 V N 7.819 127.754 119.914 0.034 0.000 2.387 76 V HA -0.185 4.179 4.120 0.030 -0.226 0.260 76 V C 0.180 176.273 176.094 -0.002 0.000 1.054 76 V CA 0.700 63.007 62.300 0.013 0.000 0.967 76 V CB -0.291 31.520 31.823 -0.021 0.000 1.036 76 V HN 0.330 8.537 8.190 0.030 0.000 0.481 77 E N 8.040 128.242 120.200 0.003 0.000 2.460 77 E HA 0.113 4.465 4.350 0.003 0.000 0.200 77 E C -0.161 176.434 176.600 -0.008 0.000 1.011 77 E CA -0.377 56.026 56.400 0.004 0.000 0.912 77 E CB 0.628 30.341 29.700 0.021 0.000 0.953 77 E HN 0.368 9.167 8.360 0.011 -0.432 0.494 78 G N 0.091 108.876 108.800 -0.025 0.000 2.617 78 G HA2 -0.229 3.695 3.960 -0.060 0.000 0.686 78 G HA3 -0.229 3.716 3.960 -0.026 0.000 0.686 78 G C -1.665 173.220 174.900 -0.026 0.000 1.214 78 G CA -0.721 44.357 45.100 -0.037 0.000 0.796 78 G HN -0.481 7.992 8.290 -0.033 -0.203 0.654 79 N N -3.876 114.802 118.700 -0.036 0.000 2.962 79 N HA -0.272 4.456 4.740 -0.021 0.000 0.206 79 N C -0.902 174.595 175.510 -0.022 0.000 0.907 79 N CA 1.314 54.353 53.050 -0.019 0.000 1.029 79 N CB -0.291 38.200 38.487 0.006 0.000 1.009 79 N HN 0.162 8.511 8.380 -0.050 0.000 0.587 80 E N -0.933 119.234 120.200 -0.056 0.000 2.383 80 E HA 0.103 4.710 4.350 0.037 -0.234 0.264 80 E C -0.106 176.413 176.600 -0.136 0.000 1.050 80 E CA 0.782 57.146 56.400 -0.061 0.000 0.896 80 E CB 0.440 30.046 29.700 -0.156 0.000 0.982 80 E HN -0.192 8.023 8.360 -0.073 0.102 0.424 81 Q N 1.577 121.367 119.800 -0.016 0.000 2.274 81 Q HA 0.268 4.542 4.340 -0.111 0.000 0.268 81 Q C -1.540 174.594 176.000 0.223 0.000 1.015 81 Q CA -1.156 54.644 55.803 -0.004 0.000 0.775 81 Q CB 2.978 31.732 28.738 0.027 0.000 1.256 81 Q HN 0.254 8.589 8.270 0.108 0.000 0.442 82 F N 3.545 123.474 119.950 -0.036 0.000 2.388 82 F HA 0.457 5.129 4.527 -0.054 -0.177 0.358 82 F C -0.158 175.616 175.800 -0.044 0.000 1.122 82 F CA -2.945 55.027 58.000 -0.046 0.000 1.056 82 F CB 0.994 39.965 39.000 -0.048 0.000 1.155 82 F HN 0.385 8.701 8.300 0.026 0.000 0.461 83 I N 3.900 124.542 120.570 0.120 0.000 2.582 83 I HA 0.236 4.433 4.170 0.044 0.000 0.292 83 I C -1.363 174.751 176.117 -0.006 0.000 1.066 83 I CA -1.391 59.933 61.300 0.040 0.000 1.053 83 I CB 4.250 42.259 38.000 0.015 0.000 1.241 83 I HN 0.922 9.188 8.210 0.093 0.000 0.421 84 S N 5.349 121.039 115.700 -0.018 0.000 2.592 84 S HA 0.058 4.499 4.470 -0.048 0.000 0.271 84 S C -0.422 174.142 174.600 -0.060 0.000 1.326 84 S CA 0.765 58.941 58.200 -0.041 0.000 1.024 84 S CB 0.938 64.116 63.200 -0.036 0.000 0.921 84 S HN 0.437 8.742 8.310 -0.008 0.000 0.527 85 A N 3.390 126.171 122.820 -0.066 0.000 2.363 85 A HA 0.147 4.505 4.320 -0.103 -0.099 0.270 85 A C -0.544 176.990 177.584 -0.083 0.000 1.121 85 A CA -0.277 51.711 52.037 -0.081 0.000 0.800 85 A CB 0.658 19.622 19.000 -0.060 0.000 1.052 85 A HN -0.146 7.967 8.150 -0.061 0.000 0.493 86 S N 3.180 118.810 115.700 -0.117 0.000 2.427 86 S HA 0.051 4.479 4.470 -0.071 0.000 0.224 86 S C 0.460 175.017 174.600 -0.071 0.000 1.047 86 S CA 1.248 59.389 58.200 -0.098 0.000 0.953 86 S CB 0.960 64.080 63.200 -0.133 0.000 0.824 86 S HN 0.839 8.934 8.310 -0.166 0.115 0.502 87 K N -0.017 120.331 120.400 -0.087 0.000 2.551 87 K HA 0.279 4.615 4.320 0.028 0.000 0.269 87 K C -2.350 174.269 176.600 0.033 0.000 0.949 87 K CA -0.583 55.700 56.287 -0.008 0.000 0.849 87 K CB 3.445 35.947 32.500 0.004 0.000 1.411 87 K HN -0.764 7.395 8.250 -0.150 0.000 0.432 88 S N 1.422 117.200 115.700 0.131 0.000 2.502 88 S HA 0.743 5.489 4.470 0.171 -0.173 0.304 88 S C -0.819 173.907 174.600 0.210 0.000 1.097 88 S CA -0.465 57.858 58.200 0.204 0.000 1.045 88 S CB 2.532 65.926 63.200 0.322 0.000 1.019 88 S HN 0.183 8.585 8.310 0.154 0.000 0.481 89 I N 7.428 128.132 120.570 0.223 0.000 2.437 89 I HA 0.121 4.380 4.170 0.149 0.000 0.279 89 I C -1.573 174.688 176.117 0.240 0.000 1.028 89 I CA -0.820 60.606 61.300 0.210 0.000 1.142 89 I CB 1.588 39.726 38.000 0.229 0.000 1.266 89 I HN 1.085 9.336 8.210 0.250 0.109 0.461 90 V N 7.850 127.838 119.914 0.124 0.000 2.649 90 V HA -0.148 4.019 4.120 0.079 0.000 0.292 90 V C -0.216 175.963 176.094 0.141 0.000 1.055 90 V CA -0.505 61.836 62.300 0.068 0.000 1.023 90 V CB 0.871 32.639 31.823 -0.092 0.000 0.992 90 V HN 0.378 8.596 8.190 0.046 0.000 0.480 91 H N 8.659 127.717 119.070 -0.020 0.000 3.034 91 H HA -0.058 4.332 4.556 -0.276 0.000 0.324 91 H C -0.293 175.013 175.328 -0.037 0.000 1.015 91 H CA 0.291 56.200 56.048 -0.232 0.000 1.429 91 H CB 1.511 30.968 29.762 -0.508 0.000 1.429 91 H HN -0.199 8.125 8.280 0.073 0.000 0.585 92 P HA -0.108 4.330 4.420 0.030 0.000 0.219 92 P C -0.433 176.927 177.300 0.101 0.000 1.146 92 P CA 1.483 64.571 63.100 -0.020 0.000 0.808 92 P CB 0.316 31.980 31.700 -0.060 0.000 0.779 93 S N -3.750 112.120 115.700 0.283 0.000 2.582 93 S HA 0.038 4.571 4.470 0.105 0.000 0.234 93 S C -0.593 174.103 174.600 0.159 0.000 0.961 93 S CA 0.017 58.341 58.200 0.208 0.000 0.953 93 S CB 0.439 63.754 63.200 0.191 0.000 0.800 93 S HN -0.393 8.209 8.310 0.547 0.036 0.471 94 Y N 3.725 124.070 120.300 0.075 0.000 2.620 94 Y HA -0.302 4.408 4.550 -0.050 -0.189 0.330 94 Y C -0.865 175.026 175.900 -0.016 0.000 1.186 94 Y CA 0.782 58.880 58.100 -0.004 0.000 1.467 94 Y CB 0.780 39.245 38.460 0.008 0.000 1.262 94 Y HN -0.727 7.581 8.280 0.340 0.175 0.550 95 N N 7.454 125.781 118.700 -0.620 0.000 2.511 95 N HA 0.210 4.665 4.740 -0.476 0.000 0.249 95 N C -0.242 174.730 175.510 -0.897 0.000 0.971 95 N CA -1.209 51.491 53.050 -0.584 0.000 0.938 95 N CB 1.561 39.873 38.487 -0.291 0.000 1.131 95 N HN -0.155 7.979 8.380 -0.411 0.000 0.505 96 S N 6.431 121.602 115.700 -0.883 0.000 2.555 96 S HA -0.089 3.988 4.470 -0.655 0.000 0.230 96 S C 0.696 175.107 174.600 -0.314 0.000 0.978 96 S CA 2.088 59.945 58.200 -0.572 0.000 0.934 96 S CB -0.188 62.869 63.200 -0.239 0.000 0.766 96 S HN 0.626 8.522 8.310 -0.691 0.000 0.533 97 N N 2.086 120.607 118.700 -0.298 0.000 2.336 97 N HA 0.034 4.649 4.740 -0.208 0.000 0.177 97 N C 1.113 176.457 175.510 -0.277 0.000 1.018 97 N CA 2.378 55.288 53.050 -0.233 0.000 0.878 97 N CB 0.724 39.103 38.487 -0.179 0.000 0.997 97 N HN 0.316 8.742 8.380 -0.329 -0.244 0.433 98 T N -3.913 110.472 114.554 -0.282 0.000 3.014 98 T HA 0.061 4.202 4.350 -0.348 0.000 0.250 98 T C 0.256 174.753 174.700 -0.337 0.000 1.060 98 T CA 0.475 62.397 62.100 -0.297 0.000 1.040 98 T CB 1.591 70.343 68.868 -0.194 0.000 0.971 98 T HN -0.333 8.038 8.240 -0.278 -0.297 0.497 99 L N -3.556 117.502 121.223 -0.275 0.000 4.291 99 L HA -0.507 3.931 4.340 0.041 -0.073 0.413 99 L C -1.845 175.048 176.870 0.038 0.000 1.162 99 L CA 0.443 55.230 54.840 -0.089 0.000 0.961 99 L CB -2.637 39.300 42.059 -0.204 0.000 2.095 99 L HN -0.057 7.941 8.230 -0.314 0.044 0.838 100 N N -0.985 117.694 118.700 -0.036 0.000 2.518 100 N HA -0.153 4.633 4.740 0.076 0.000 0.266 100 N C 0.028 175.580 175.510 0.070 0.000 1.196 100 N CA 0.665 53.731 53.050 0.027 0.000 0.947 100 N CB 1.180 39.655 38.487 -0.020 0.000 1.098 100 N HN -0.693 7.564 8.380 -0.132 0.044 0.450 101 N N -0.879 117.859 118.700 0.063 0.000 2.756 101 N HA -0.467 4.201 4.740 -0.121 0.000 0.248 101 N C -1.410 174.081 175.510 -0.032 0.000 1.062 101 N CA 1.392 54.384 53.050 -0.096 0.000 0.696 101 N CB -1.558 36.750 38.487 -0.298 0.000 0.946 101 N HN 0.622 9.063 8.380 0.102 0.000 0.548 102 D N -1.031 119.393 120.400 0.040 0.000 2.551 102 D HA 0.055 4.685 4.640 -0.017 0.000 0.223 102 D C -1.666 174.546 176.300 -0.145 0.000 1.144 102 D CA -0.360 53.658 54.000 0.030 0.000 1.025 102 D CB -0.753 40.162 40.800 0.191 0.000 1.085 102 D HN -0.150 8.257 8.370 0.061 0.000 0.506 103 I N 2.409 122.832 120.570 -0.246 0.000 2.827 103 I HA 0.547 4.812 4.170 -0.127 -0.172 0.298 103 I C -3.084 172.992 176.117 -0.068 0.000 1.235 103 I CA -1.404 59.776 61.300 -0.199 0.000 1.021 103 I CB 4.127 41.874 38.000 -0.422 0.000 1.259 103 I HN -0.100 7.916 8.210 -0.257 0.039 0.427 104 M N 6.378 126.009 119.600 0.052 0.000 2.470 104 M HA 0.725 5.526 4.480 0.246 -0.174 0.285 104 M C -2.803 173.631 176.300 0.222 0.000 1.213 104 M CA -1.041 54.355 55.300 0.160 0.000 0.901 104 M CB 4.872 37.522 32.600 0.082 0.000 1.718 104 M HN 0.489 8.804 8.290 0.041 0.000 0.469 105 L N 2.969 124.362 121.223 0.284 0.000 2.334 105 L HA 0.865 5.537 4.340 0.271 -0.169 0.276 105 L C -1.310 175.757 176.870 0.328 0.000 1.014 105 L CA -1.462 53.562 54.840 0.307 0.000 0.815 105 L CB 3.238 45.460 42.059 0.271 0.000 1.268 105 L HN 0.516 8.832 8.230 0.319 0.106 0.428 106 I N 0.850 121.598 120.570 0.296 0.000 2.465 106 I HA 0.596 4.999 4.170 0.095 -0.176 0.291 106 I C -1.620 174.443 176.117 -0.091 0.000 1.014 106 I CA -1.424 59.941 61.300 0.108 0.000 1.093 106 I CB 3.128 41.160 38.000 0.053 0.000 1.267 106 I HN 1.024 9.433 8.210 0.332 0.000 0.431 107 K N 6.555 126.697 120.400 -0.430 0.000 2.159 107 K HA 0.671 4.320 4.320 -1.379 -0.157 0.266 107 K C -1.126 175.181 176.600 -0.488 0.000 0.975 107 K CA -1.879 53.804 56.287 -1.007 0.000 0.865 107 K CB 3.076 34.813 32.500 -1.272 0.000 1.087 107 K HN 0.718 8.806 8.250 -0.270 0.000 0.446 108 L N 4.620 125.587 121.223 -0.427 0.000 2.375 108 L HA 0.219 4.569 4.340 -0.172 -0.113 0.271 108 L C 1.799 178.548 176.870 -0.201 0.000 1.107 108 L CA -0.061 54.645 54.840 -0.224 0.000 0.806 108 L CB 0.458 42.429 42.059 -0.147 0.000 1.146 108 L HN 0.864 8.657 8.230 -0.551 0.106 0.447 109 K N 2.692 123.015 120.400 -0.128 0.000 2.057 109 K HA -0.307 3.948 4.320 -0.108 0.000 0.207 109 K C -0.336 176.215 176.600 -0.082 0.000 1.049 109 K CA 2.761 58.990 56.287 -0.096 0.000 0.931 109 K CB 0.462 32.925 32.500 -0.063 0.000 0.714 109 K HN 0.527 8.713 8.250 -0.106 0.000 0.440 110 S N -3.037 112.622 115.700 -0.069 0.000 2.599 110 S HA 0.119 4.559 4.470 -0.051 0.000 0.287 110 S C -1.622 172.949 174.600 -0.049 0.000 1.105 110 S CA -0.872 57.298 58.200 -0.050 0.000 0.899 110 S CB 2.829 66.011 63.200 -0.029 0.000 1.100 110 S HN -0.568 7.702 8.310 -0.067 0.000 0.482 111 A N 0.260 123.061 122.820 -0.033 0.000 2.407 111 A HA -0.036 4.403 4.320 -0.030 -0.137 0.248 111 A C -0.501 177.080 177.584 -0.004 0.000 1.082 111 A CA -0.129 51.897 52.037 -0.018 0.000 0.785 111 A CB 0.715 19.715 19.000 -0.000 0.000 1.020 111 A HN 0.147 8.281 8.150 -0.027 0.000 0.489 112 A N 1.116 123.941 122.820 0.008 0.000 2.304 112 A HA 0.189 4.589 4.320 0.012 -0.073 0.271 112 A C -0.558 177.038 177.584 0.020 0.000 1.091 112 A CA -1.225 50.822 52.037 0.017 0.000 0.812 112 A CB 1.398 20.416 19.000 0.031 0.000 1.056 112 A HN 0.428 8.474 8.150 0.011 0.110 0.489 113 S N 0.900 116.609 115.700 0.016 0.000 2.430 113 S HA 0.098 4.577 4.470 0.016 0.000 0.289 113 S C -0.650 173.964 174.600 0.023 0.000 1.143 113 S CA -0.394 57.815 58.200 0.015 0.000 1.067 113 S CB 0.595 63.799 63.200 0.006 0.000 0.964 113 S HN 0.025 8.681 8.310 0.014 -0.338 0.485 114 L N 5.977 127.217 121.223 0.028 0.000 2.357 114 L HA 0.214 4.693 4.340 0.041 -0.115 0.273 114 L C -0.522 176.366 176.870 0.030 0.000 1.080 114 L CA -0.367 54.495 54.840 0.036 0.000 0.803 114 L CB 0.704 42.789 42.059 0.043 0.000 1.174 114 L HN 0.238 8.484 8.230 0.027 0.000 0.443 115 N N 3.224 121.943 118.700 0.032 0.000 3.526 115 N HA 0.169 4.924 4.740 0.025 0.000 0.328 115 N C -1.336 174.193 175.510 0.032 0.000 1.601 115 N CA -0.641 52.425 53.050 0.027 0.000 0.834 115 N CB 1.141 39.640 38.487 0.019 0.000 1.983 115 N HN 0.573 8.865 8.380 0.039 0.111 0.579 116 S N -2.596 113.120 115.700 0.027 0.000 2.428 116 S HA -0.247 4.244 4.470 0.035 0.000 0.230 116 S C 0.623 175.241 174.600 0.030 0.000 1.014 116 S CA 2.623 60.841 58.200 0.029 0.000 0.957 116 S CB -0.046 63.167 63.200 0.023 0.000 0.784 116 S HN 0.076 8.399 8.310 0.022 0.000 0.499 117 R N -0.881 119.634 120.500 0.026 0.000 2.210 117 R HA 0.090 4.441 4.340 0.018 0.000 0.203 117 R C -1.097 175.221 176.300 0.030 0.000 1.010 117 R CA 0.289 56.403 56.100 0.023 0.000 1.008 117 R CB 0.925 31.237 30.300 0.020 0.000 0.923 117 R HN -0.076 8.439 8.270 0.023 -0.231 0.469 118 V N -1.784 118.154 119.914 0.039 0.000 2.447 118 V HA 0.262 4.600 4.120 0.054 -0.186 0.292 118 V C -2.143 173.991 176.094 0.066 0.000 1.021 118 V CA -1.045 61.286 62.300 0.052 0.000 0.850 118 V CB 2.523 34.374 31.823 0.048 0.000 1.005 118 V HN -0.310 8.026 8.190 0.036 -0.124 0.426 119 A N 6.634 129.510 122.820 0.093 0.000 2.587 119 A HA 0.593 4.966 4.320 0.087 0.000 0.293 119 A C -3.065 174.612 177.584 0.155 0.000 1.087 119 A CA -1.380 50.723 52.037 0.110 0.000 0.692 119 A CB 2.894 21.960 19.000 0.110 0.000 1.291 119 A HN 0.169 8.263 8.150 0.102 0.117 0.407 120 S N -1.465 114.309 115.700 0.123 0.000 2.652 120 S HA 0.548 5.260 4.470 0.158 -0.148 0.270 120 S C -0.772 173.878 174.600 0.083 0.000 1.243 120 S CA -0.830 57.442 58.200 0.120 0.000 0.999 120 S CB 1.535 64.786 63.200 0.086 0.000 0.973 120 S HN -0.027 8.340 8.310 0.096 0.000 0.544 121 I N 0.716 121.292 120.570 0.009 0.000 2.562 121 I HA 0.245 4.334 4.170 -0.135 0.000 0.301 121 I C -1.293 174.773 176.117 -0.085 0.000 1.003 121 I CA -1.624 59.583 61.300 -0.155 0.000 1.127 121 I CB 3.859 41.555 38.000 -0.506 0.000 1.304 121 I HN 0.285 8.518 8.210 0.039 0.000 0.446 122 S N 6.177 121.825 115.700 -0.087 0.000 2.584 122 S HA 0.221 4.675 4.470 -0.027 0.000 0.273 122 S C -0.680 173.892 174.600 -0.046 0.000 1.311 122 S CA -0.228 57.944 58.200 -0.048 0.000 1.034 122 S CB 0.833 64.009 63.200 -0.039 0.000 0.939 122 S HN 0.250 8.493 8.310 -0.112 0.000 0.513 123 L N 2.900 124.111 121.223 -0.020 0.000 2.418 123 L HA 0.176 4.518 4.340 0.002 0.000 0.265 123 L C -1.182 175.685 176.870 -0.005 0.000 1.143 123 L CA -1.982 52.857 54.840 -0.001 0.000 0.809 123 L CB 0.277 42.344 42.059 0.013 0.000 1.124 123 L HN 0.225 8.445 8.230 -0.016 0.000 0.456 124 P HA 0.099 4.509 4.420 -0.016 0.000 0.276 124 P C -1.204 176.096 177.300 0.000 0.000 1.252 124 P CA -0.587 62.510 63.100 -0.005 0.000 0.802 124 P CB 0.701 32.398 31.700 -0.006 0.000 1.035 128 c N 0.534 119.108 118.600 -0.043 0.000 2.500 128 c HA 0.087 4.618 4.570 -0.066 0.000 0.367 128 c C -0.042 173.988 174.090 -0.099 0.000 1.283 128 c CA -0.730 55.558 56.329 -0.069 0.000 2.456 128 c CB 0.596 43.069 42.510 -0.061 0.000 2.457 128 c HN -0.033 8.175 8.230 -0.037 0.000 0.632 129 A N 0.998 123.722 122.820 -0.159 0.000 2.293 129 A HA 0.115 4.361 4.320 -0.123 0.000 0.302 129 A C -0.796 176.683 177.584 -0.174 0.000 1.119 129 A CA -0.414 51.520 52.037 -0.172 0.000 0.823 129 A CB 1.204 20.065 19.000 -0.232 0.000 1.097 129 A HN 0.242 8.270 8.150 -0.202 0.000 0.491 133 G N 1.184 109.945 108.800 -0.064 0.000 2.225 133 G HA2 -0.337 3.590 3.960 -0.056 0.000 0.254 133 G HA3 -0.337 3.596 3.960 -0.045 0.000 0.254 133 G C -0.023 174.839 174.900 -0.063 0.000 0.988 133 G CA 0.131 45.197 45.100 -0.056 0.000 0.625 133 G HN 0.834 8.969 8.290 -0.067 0.115 0.527 134 T N 3.217 117.721 114.554 -0.083 0.000 2.928 134 T HA -0.183 4.129 4.350 -0.063 0.000 0.305 134 T C -1.110 173.545 174.700 -0.075 0.000 1.035 134 T CA 2.464 64.514 62.100 -0.082 0.000 1.145 134 T CB 0.738 69.538 68.868 -0.114 0.000 0.963 134 T HN -0.608 7.494 8.240 -0.097 0.079 0.545 135 Q N 5.878 125.649 119.800 -0.049 0.000 2.243 135 Q HA 0.176 4.609 4.340 -0.041 -0.118 0.252 135 Q C -0.891 175.092 176.000 -0.028 0.000 0.909 135 Q CA 0.248 56.033 55.803 -0.031 0.000 0.922 135 Q CB 1.520 30.256 28.738 -0.003 0.000 1.215 135 Q HN 0.186 8.431 8.270 -0.042 0.000 0.427 136 c N 3.302 121.887 118.600 -0.024 0.000 2.971 136 c HA 0.635 5.314 4.570 -0.013 -0.117 0.310 136 c C -1.872 172.226 174.090 0.014 0.000 1.285 136 c CA -1.616 54.702 56.329 -0.019 0.000 1.593 136 c CB 4.268 46.747 42.510 -0.051 0.000 2.076 136 c HN 0.828 8.931 8.230 -0.025 0.111 0.472 137 L N 0.987 122.226 121.223 0.027 0.000 2.305 137 L HA 0.847 5.396 4.340 0.057 -0.175 0.284 137 L C -2.219 174.670 176.870 0.031 0.000 1.013 137 L CA -1.350 53.520 54.840 0.050 0.000 0.819 137 L CB 3.148 45.259 42.059 0.086 0.000 1.227 137 L HN 0.779 8.910 8.230 0.021 0.112 0.417 138 I N 7.596 128.169 120.570 0.005 0.000 2.474 138 I HA 0.862 5.278 4.170 0.018 -0.235 0.294 138 I C -1.334 174.753 176.117 -0.051 0.000 1.005 138 I CA -1.513 59.785 61.300 -0.003 0.000 1.113 138 I CB 2.380 40.382 38.000 0.003 0.000 1.289 138 I HN 0.878 9.093 8.210 0.008 0.000 0.436 139 S N 2.875 118.537 115.700 -0.063 0.000 2.588 139 S HA 1.038 5.539 4.470 -0.230 -0.169 0.275 139 S C -1.123 173.360 174.600 -0.196 0.000 1.130 139 S CA -1.822 56.265 58.200 -0.189 0.000 0.855 139 S CB 3.753 66.804 63.200 -0.249 0.000 1.116 139 S HN -0.214 8.092 8.310 -0.007 0.000 0.472 140 G N -1.077 107.513 108.800 -0.351 0.000 2.316 140 G HA2 0.143 3.865 3.960 -0.398 0.000 0.296 140 G HA3 0.143 4.210 3.960 -0.061 -0.143 0.296 140 G C -2.339 172.333 174.900 -0.381 0.000 1.399 140 G CA 0.550 45.468 45.100 -0.303 0.000 0.833 140 G HN 0.347 8.370 8.290 -0.445 0.000 0.565 141 W N 0.981 122.224 121.300 -0.095 0.000 3.015 141 W HA 0.368 4.968 4.660 -0.100 0.000 0.429 141 W C -0.265 176.280 176.519 0.043 0.000 0.976 141 W CA -0.967 56.281 57.345 -0.162 0.000 2.086 141 W CB 0.140 29.261 29.460 -0.566 0.000 1.125 141 W HN 0.580 8.911 8.180 0.252 0.000 0.721 142 G N 0.756 109.724 108.800 0.281 0.000 2.588 142 G HA2 -0.022 4.260 3.960 0.528 0.000 0.281 142 G HA3 -0.022 4.279 3.960 0.282 -0.171 0.281 142 G C -1.004 174.028 174.900 0.219 0.000 1.236 142 G CA -0.828 44.482 45.100 0.349 0.000 0.969 142 G HN -0.391 8.166 8.290 0.172 -0.164 0.504 143 N N -0.389 118.381 118.700 0.117 0.000 2.353 143 N HA -0.293 4.295 4.740 -0.575 -0.193 0.248 143 N C 0.889 176.336 175.510 -0.106 0.000 1.240 143 N CA 1.086 53.991 53.050 -0.243 0.000 0.862 143 N CB 0.595 38.924 38.487 -0.262 0.000 1.086 143 N HN 0.123 8.662 8.380 0.265 0.000 0.453 144 T N 0.329 114.801 114.554 -0.136 0.000 3.054 144 T HA 0.187 4.649 4.350 -0.040 -0.137 0.255 144 T C 0.228 174.891 174.700 -0.062 0.000 1.035 144 T CA 0.412 62.472 62.100 -0.067 0.000 0.941 144 T CB 1.415 70.254 68.868 -0.048 0.000 1.026 144 T HN 0.356 8.465 8.240 -0.217 0.000 0.533 145 K N 2.541 122.888 120.400 -0.088 0.000 2.270 145 K HA 0.277 4.573 4.320 -0.040 0.000 0.255 145 K C -0.527 176.049 176.600 -0.040 0.000 0.936 145 K CA -1.119 55.133 56.287 -0.059 0.000 0.809 145 K CB 2.435 34.893 32.500 -0.070 0.000 1.131 145 K HN -0.463 7.966 8.250 -0.139 -0.263 0.427 146 S N 0.969 116.658 115.700 -0.017 0.000 2.458 146 S HA -0.081 4.393 4.470 0.008 0.000 0.223 146 S C 0.087 174.689 174.600 0.003 0.000 1.019 146 S CA 1.840 60.041 58.200 0.002 0.000 0.937 146 S CB 0.859 64.065 63.200 0.011 0.000 0.788 146 S HN 0.162 8.463 8.310 -0.016 0.000 0.511 147 S N 1.636 117.333 115.700 -0.004 0.000 2.252 147 S HA 0.194 4.668 4.470 0.006 0.000 0.180 147 S C -0.845 173.750 174.600 -0.008 0.000 1.534 147 S CA -0.199 58.000 58.200 -0.000 0.000 1.141 147 S CB -0.610 62.591 63.200 0.002 0.000 1.122 147 S HN -0.429 7.851 8.310 -0.010 0.024 0.475 148 G N 0.788 109.580 108.800 -0.012 0.000 2.353 148 G HA2 -0.164 3.793 3.960 -0.004 0.000 0.424 148 G HA3 -0.164 3.784 3.960 -0.019 0.000 0.424 148 G C -2.730 172.137 174.900 -0.055 0.000 1.320 148 G CA -0.678 44.411 45.100 -0.019 0.000 0.995 148 G HN -0.507 7.778 8.290 -0.008 0.000 0.580 149 T N -3.843 110.672 114.554 -0.065 0.000 2.792 149 T HA 0.103 4.458 4.350 -0.288 -0.177 0.280 149 T C -1.365 173.203 174.700 -0.220 0.000 0.990 149 T CA -1.589 60.400 62.100 -0.185 0.000 0.960 149 T CB 1.927 70.777 68.868 -0.030 0.000 0.939 149 T HN -0.152 8.072 8.240 -0.027 0.000 0.439 150 S N 4.138 119.603 115.700 -0.392 0.000 2.750 150 S HA 0.238 4.660 4.470 -0.080 0.000 0.276 150 S C -2.168 172.229 174.600 -0.338 0.000 1.165 150 S CA -0.412 57.664 58.200 -0.207 0.000 1.047 150 S CB 1.287 64.423 63.200 -0.106 0.000 1.056 150 S HN 0.616 8.967 8.310 -0.570 -0.383 0.481 151 Y N 5.423 125.762 120.300 0.065 0.000 2.360 151 Y HA 0.208 4.814 4.550 0.093 0.000 0.337 151 Y C -1.120 174.828 175.900 0.080 0.000 1.039 151 Y CA -2.827 55.325 58.100 0.085 0.000 1.109 151 Y CB 1.080 39.601 38.460 0.101 0.000 1.201 151 Y HN 0.041 8.425 8.280 0.174 0.000 0.458 152 P HA 0.151 4.649 4.420 0.130 0.000 0.281 152 P C -1.361 176.070 177.300 0.217 0.000 1.264 152 P CA -1.188 62.016 63.100 0.173 0.000 0.824 152 P CB 1.718 33.489 31.700 0.119 0.000 1.092 153 D N -1.991 118.512 120.400 0.171 0.000 2.262 153 D HA -0.004 4.705 4.640 0.114 0.000 0.212 153 D C -0.678 175.775 176.300 0.255 0.000 0.964 153 D CA 1.815 55.906 54.000 0.152 0.000 0.875 153 D CB 1.093 41.951 40.800 0.097 0.000 0.996 153 D HN 0.414 8.864 8.370 0.134 0.000 0.497 154 V N -7.906 112.150 119.914 0.237 0.000 2.975 154 V HA 0.629 5.250 4.120 0.417 -0.251 0.318 154 V C -0.813 175.328 176.094 0.078 0.000 1.077 154 V CA -2.831 59.620 62.300 0.252 0.000 1.000 154 V CB 2.133 34.022 31.823 0.110 0.000 1.066 154 V HN -0.931 7.356 8.190 0.161 0.000 0.452 155 L N 1.587 122.733 121.223 -0.128 0.000 2.455 155 L HA -0.034 3.485 4.340 -1.368 0.000 0.272 155 L C -0.310 176.292 176.870 -0.446 0.000 1.174 155 L CA 0.731 55.134 54.840 -0.728 0.000 0.869 155 L CB 0.648 42.247 42.059 -0.767 0.000 1.130 155 L HN -0.128 8.327 8.230 0.079 -0.178 0.474 156 K N 5.621 125.732 120.400 -0.482 0.000 2.156 156 K HA 0.709 4.992 4.320 -0.340 -0.167 0.250 156 K C -1.124 175.214 176.600 -0.436 0.000 0.955 156 K CA -2.562 53.505 56.287 -0.366 0.000 0.855 156 K CB 2.374 34.728 32.500 -0.244 0.000 1.101 156 K HN -0.182 7.699 8.250 -0.616 0.000 0.434 157 c N -0.569 117.677 118.600 -0.591 0.000 2.707 157 c HA 0.973 5.472 4.570 -0.411 -0.177 0.313 157 c C -1.783 171.940 174.090 -0.612 0.000 1.209 157 c CA -0.759 55.163 56.329 -0.679 0.000 1.635 157 c CB 3.601 45.520 42.510 -0.985 0.000 2.206 157 c HN 0.796 8.513 8.230 -0.680 0.105 0.485 158 L N 0.356 121.432 121.223 -0.245 0.000 2.526 158 L HA 0.376 4.773 4.340 0.095 0.000 0.263 158 L C -2.477 174.464 176.870 0.119 0.000 0.943 158 L CA 0.184 55.032 54.840 0.012 0.000 0.859 158 L CB 4.429 46.512 42.059 0.039 0.000 1.313 158 L HN 0.790 8.908 8.230 -0.186 0.000 0.406 159 K N 6.278 126.813 120.400 0.225 0.000 2.211 159 K HA 0.800 5.406 4.320 0.133 -0.207 0.275 159 K C -0.939 175.794 176.600 0.221 0.000 1.024 159 K CA -1.323 55.077 56.287 0.188 0.000 0.887 159 K CB 0.931 33.546 32.500 0.191 0.000 1.084 159 K HN 0.319 8.740 8.250 0.285 0.000 0.463 160 A N 4.292 127.177 122.820 0.108 0.000 2.486 160 A HA 0.649 4.967 4.320 -0.003 0.000 0.300 160 A C -3.390 174.130 177.584 -0.106 0.000 1.048 160 A CA -2.712 49.322 52.037 -0.006 0.000 0.696 160 A CB 3.163 22.161 19.000 -0.004 0.000 1.278 160 A HN 1.016 9.093 8.150 0.057 0.108 0.405 161 P HA 0.723 5.300 4.420 -0.100 -0.217 0.284 161 P C -1.097 176.132 177.300 -0.118 0.000 1.258 161 P CA -1.466 61.546 63.100 -0.147 0.000 0.824 161 P CB 1.563 33.172 31.700 -0.151 0.000 1.038 162 I N 0.216 120.733 120.570 -0.088 0.000 2.441 162 I HA -0.011 4.316 4.170 0.066 -0.117 0.287 162 I C 0.140 176.241 176.117 -0.027 0.000 1.049 162 I CA 0.363 61.639 61.300 -0.040 0.000 1.381 162 I CB 0.355 38.249 38.000 -0.177 0.000 1.409 162 I HN 0.129 8.278 8.210 -0.101 0.000 0.523 163 L N 6.783 128.027 121.223 0.034 0.000 2.431 163 L HA 0.234 4.565 4.340 -0.016 0.000 0.260 163 L C -0.272 176.615 176.870 0.028 0.000 1.098 163 L CA -0.895 53.955 54.840 0.017 0.000 0.800 163 L CB 0.726 42.806 42.059 0.035 0.000 1.210 163 L HN 0.391 8.578 8.230 0.112 0.110 0.465 164 S N -1.158 114.552 115.700 0.016 0.000 2.593 164 S HA -0.015 4.461 4.470 0.008 0.000 0.269 164 S C 0.361 174.986 174.600 0.041 0.000 1.334 164 S CA -0.541 57.670 58.200 0.018 0.000 1.015 164 S CB 1.301 64.506 63.200 0.009 0.000 0.912 164 S HN -0.038 8.277 8.310 0.009 0.000 0.541 165 D N 1.761 122.186 120.400 0.042 0.000 2.178 165 D HA -0.232 4.457 4.640 0.082 0.000 0.201 165 D C 1.503 177.835 176.300 0.053 0.000 0.980 165 D CA 3.613 57.649 54.000 0.059 0.000 0.842 165 D CB -0.400 40.430 40.800 0.050 0.000 0.948 165 D HN 0.596 8.982 8.370 0.028 0.000 0.472 166 S N -1.352 114.370 115.700 0.037 0.000 2.368 166 S HA -0.267 4.224 4.470 0.036 0.000 0.224 166 S C 2.086 176.705 174.600 0.032 0.000 1.029 166 S CA 3.245 61.464 58.200 0.032 0.000 0.988 166 S CB -0.826 62.386 63.200 0.020 0.000 0.838 166 S HN 0.015 8.328 8.310 0.029 0.014 0.462 167 S N 3.723 119.441 115.700 0.029 0.000 2.383 167 S HA -0.231 4.245 4.470 0.011 0.000 0.227 167 S C 1.876 176.496 174.600 0.034 0.000 1.026 167 S CA 4.143 62.355 58.200 0.021 0.000 0.981 167 S CB -0.119 63.090 63.200 0.016 0.000 0.818 167 S HN -0.504 7.823 8.310 0.028 0.000 0.472 168 c N 3.508 122.147 118.600 0.065 0.000 2.436 168 c HA -0.315 4.328 4.570 0.121 0.000 0.277 168 c C 1.682 175.854 174.090 0.137 0.000 1.241 168 c CA 2.681 59.079 56.329 0.114 0.000 1.721 168 c CB -1.720 40.867 42.510 0.128 0.000 2.043 168 c HN -0.116 8.140 8.230 0.063 0.012 0.472 169 K N -0.999 119.466 120.400 0.108 0.000 2.147 169 K HA -0.337 4.075 4.320 0.155 0.000 0.205 169 K C 2.433 179.078 176.600 0.075 0.000 1.049 169 K CA 2.920 59.272 56.287 0.109 0.000 0.936 169 K CB -0.328 32.221 32.500 0.082 0.000 0.722 169 K HN 0.077 8.381 8.250 0.089 0.000 0.446 170 S N -1.277 114.447 115.700 0.040 0.000 2.383 170 S HA -0.217 4.261 4.470 0.014 0.000 0.227 170 S C 1.293 175.871 174.600 -0.036 0.000 1.026 170 S CA 2.615 60.818 58.200 0.006 0.000 0.981 170 S CB 0.030 63.229 63.200 -0.002 0.000 0.818 170 S HN -0.409 7.818 8.310 0.042 0.108 0.472 171 A N -0.410 122.365 122.820 -0.075 0.000 1.930 171 A HA -0.087 4.083 4.320 -0.250 0.000 0.215 171 A C -0.276 177.044 177.584 -0.440 0.000 1.176 171 A CA 1.929 53.794 52.037 -0.287 0.000 0.632 171 A CB 0.999 19.758 19.000 -0.402 0.000 0.819 171 A HN -0.559 7.458 8.150 -0.024 0.119 0.445 172 Y N -5.532 114.803 120.300 0.059 0.000 2.495 172 Y HA 0.491 5.112 4.550 0.118 0.000 0.362 172 Y C -2.428 173.533 175.900 0.101 0.000 0.956 172 Y CA -3.585 54.582 58.100 0.112 0.000 1.127 172 Y CB -0.127 38.438 38.460 0.176 0.000 1.173 172 Y HN -0.352 7.987 8.280 0.097 0.000 0.639 173 P HA -0.072 4.526 4.420 0.111 -0.112 0.265 173 P C 0.856 178.227 177.300 0.119 0.000 1.193 173 P CA 1.083 64.251 63.100 0.113 0.000 0.765 173 P CB 0.158 31.897 31.700 0.064 0.000 0.823 174 G N 3.796 112.656 108.800 0.100 0.000 2.189 174 G HA2 -0.368 3.628 3.960 0.060 0.000 0.267 174 G HA3 -0.368 3.628 3.960 0.059 0.000 0.267 174 G C 0.179 175.129 174.900 0.084 0.000 0.975 174 G CA 0.644 45.789 45.100 0.075 0.000 0.644 174 G HN 0.493 8.840 8.290 0.094 0.000 0.537 175 Q N -1.990 117.898 119.800 0.147 0.000 2.217 175 Q HA 0.089 4.461 4.340 0.053 0.000 0.217 175 Q C -0.548 175.580 176.000 0.214 0.000 0.844 175 Q CA -0.395 55.496 55.803 0.147 0.000 0.957 175 Q CB 1.404 30.264 28.738 0.205 0.000 1.127 175 Q HN -0.278 8.026 8.270 0.192 0.081 0.503 176 I N 0.506 121.196 120.570 0.201 0.000 2.315 176 I HA 0.060 4.370 4.170 0.233 0.000 0.291 176 I C -0.431 175.761 176.117 0.125 0.000 1.006 176 I CA -2.284 59.126 61.300 0.185 0.000 1.265 176 I CB -0.921 37.180 38.000 0.168 0.000 1.387 176 I HN -0.483 7.835 8.210 0.179 0.000 0.475 177 T N 2.618 117.242 114.554 0.118 0.000 2.910 177 T HA 0.371 4.760 4.350 0.065 0.000 0.279 177 T C 0.857 175.606 174.700 0.083 0.000 0.989 177 T CA -2.090 60.058 62.100 0.080 0.000 0.968 177 T CB 2.186 71.091 68.868 0.063 0.000 1.135 177 T HN -0.404 7.923 8.240 0.144 0.000 0.562 178 S N -2.019 113.715 115.700 0.056 0.000 2.555 178 S HA -0.164 4.343 4.470 0.062 0.000 0.230 178 S C 0.228 174.867 174.600 0.064 0.000 0.978 178 S CA 1.910 60.140 58.200 0.050 0.000 0.934 178 S CB -0.183 63.026 63.200 0.016 0.000 0.766 178 S HN 0.254 8.588 8.310 0.040 0.000 0.533 179 N N 0.028 118.779 118.700 0.085 0.000 2.279 179 N HA 0.186 4.991 4.740 0.108 0.000 0.226 179 N C -1.771 173.860 175.510 0.201 0.000 1.126 179 N CA -0.197 52.937 53.050 0.139 0.000 0.846 179 N CB 0.799 39.390 38.487 0.172 0.000 1.050 179 N HN -0.573 7.777 8.380 0.081 0.078 0.502 180 M N -1.248 118.457 119.600 0.175 0.000 2.631 180 M HA 0.854 5.608 4.480 0.107 -0.210 0.288 180 M C -2.401 174.022 176.300 0.204 0.000 1.260 180 M CA -0.400 54.983 55.300 0.139 0.000 0.842 180 M CB 5.260 37.918 32.600 0.096 0.000 1.743 180 M HN -0.712 7.580 8.290 0.153 0.090 0.461 181 F N -6.448 113.546 119.950 0.073 0.000 2.668 181 F HA 0.606 5.163 4.527 0.049 0.000 0.309 181 F C -2.854 172.998 175.800 0.085 0.000 1.117 181 F CA -1.594 56.446 58.000 0.067 0.000 0.951 181 F CB 2.277 41.315 39.000 0.063 0.000 1.323 181 F HN 0.205 8.379 8.300 -0.210 0.000 0.451 182 c N -0.061 118.707 118.600 0.280 0.000 2.391 182 c HA 1.006 5.830 4.570 0.073 -0.210 0.339 182 c C -1.103 173.182 174.090 0.325 0.000 1.205 182 c CA -1.109 55.332 56.329 0.187 0.000 1.937 182 c CB 2.765 45.353 42.510 0.130 0.000 2.341 182 c HN 0.944 9.377 8.230 0.338 0.000 0.516 183 A N 2.979 125.972 122.820 0.288 0.000 2.476 183 A HA 0.682 5.205 4.320 0.090 -0.149 0.280 183 A C -2.213 175.422 177.584 0.085 0.000 1.081 183 A CA -0.516 51.607 52.037 0.144 0.000 0.753 183 A CB 2.676 21.669 19.000 -0.011 0.000 1.248 183 A HN 0.481 8.833 8.150 0.336 0.000 0.424 184 Y N 2.940 123.274 120.300 0.057 0.000 2.436 184 Y HA 0.020 4.591 4.550 0.035 0.000 0.343 184 Y C 1.087 177.005 175.900 0.030 0.000 1.008 184 Y CA -0.079 58.045 58.100 0.039 0.000 1.241 184 Y CB 0.223 38.704 38.460 0.035 0.000 1.153 184 Y HN 0.347 8.763 8.280 0.227 0.000 0.521 185 L N 4.166 125.463 121.223 0.123 0.000 2.275 185 L HA -0.342 4.030 4.340 0.053 0.000 0.215 185 L C 1.153 178.068 176.870 0.076 0.000 1.119 185 L CA 2.320 57.202 54.840 0.070 0.000 0.790 185 L CB -0.438 41.642 42.059 0.036 0.000 0.919 185 L HN 0.525 8.811 8.230 0.093 0.000 0.443 186 E N -2.331 117.933 120.200 0.107 0.000 2.418 186 E HA -0.132 4.246 4.350 0.048 0.000 0.197 186 E C 0.802 177.438 176.600 0.059 0.000 1.026 186 E CA 0.230 56.672 56.400 0.070 0.000 0.862 186 E CB -0.475 29.263 29.700 0.063 0.000 0.799 186 E HN 0.091 8.506 8.360 0.156 0.039 0.518 187 G N 0.886 109.739 108.800 0.088 0.000 3.421 187 G HA2 -0.390 3.640 3.960 0.087 0.000 0.656 187 G HA3 -0.390 3.623 3.960 0.045 -0.026 0.656 187 G C -0.893 174.029 174.900 0.037 0.000 1.007 187 G CA -0.123 45.017 45.100 0.067 0.000 0.811 187 G HN -0.524 7.674 8.290 0.135 0.173 0.433 188 K N 1.234 121.631 120.400 -0.005 0.000 7.156 188 K HA -0.601 3.977 4.320 0.004 -0.256 0.723 188 K C -1.397 175.298 176.600 0.158 0.000 2.501 188 K CA 0.376 56.672 56.287 0.016 0.000 1.807 188 K CB -0.096 32.297 32.500 -0.178 0.000 1.947 188 K HN 0.304 8.576 8.250 0.037 0.000 0.300 189 D N 0.612 121.090 120.400 0.130 0.000 2.764 189 D HA 0.292 5.059 4.640 0.212 0.000 0.293 189 D C -1.955 174.418 176.300 0.122 0.000 1.287 189 D CA -0.540 53.553 54.000 0.156 0.000 0.768 189 D CB 4.267 45.142 40.800 0.125 0.000 1.288 189 D HN 0.244 8.665 8.370 0.086 0.000 0.426 190 S N -1.640 114.146 115.700 0.143 0.000 2.707 190 S HA 0.360 4.953 4.470 0.098 -0.063 0.276 190 S C -1.352 173.300 174.600 0.086 0.000 1.179 190 S CA -0.552 57.721 58.200 0.123 0.000 0.992 190 S CB 1.749 65.060 63.200 0.185 0.000 1.030 190 S HN 0.241 8.656 8.310 0.176 0.000 0.554 191 c N -1.603 117.052 118.600 0.092 0.000 3.316 191 c HA 0.281 4.900 4.570 0.080 0.000 0.360 191 c C -1.530 172.645 174.090 0.142 0.000 1.560 191 c CA -0.652 55.734 56.329 0.094 0.000 1.229 191 c CB 2.987 45.539 42.510 0.069 0.000 1.823 191 c HN 0.329 8.932 8.230 0.107 -0.310 0.440 192 Q N 1.819 121.715 119.800 0.160 0.000 2.304 192 Q HA -0.325 4.146 4.340 0.218 0.000 0.301 192 Q C 0.863 177.045 176.000 0.303 0.000 1.063 192 Q CA 2.142 58.079 55.803 0.224 0.000 0.947 192 Q CB 0.649 29.521 28.738 0.223 0.000 1.201 192 Q HN 0.546 8.894 8.270 0.130 0.000 0.389 193 G N 6.154 115.135 108.800 0.303 0.000 2.254 193 G HA2 -0.398 3.745 3.960 0.304 0.000 0.225 193 G HA3 -0.398 3.852 3.960 0.483 0.000 0.225 193 G C 0.629 175.748 174.900 0.366 0.000 1.003 193 G CA 1.001 46.324 45.100 0.371 0.000 0.622 193 G HN 0.846 9.295 8.290 0.265 0.000 0.507 194 D N 1.468 122.027 120.400 0.265 0.000 2.346 194 D HA 0.094 4.882 4.640 0.246 0.000 0.206 194 D C 0.141 176.540 176.300 0.165 0.000 1.001 194 D CA 0.837 54.963 54.000 0.211 0.000 0.871 194 D CB 0.628 41.520 40.800 0.154 0.000 0.943 194 D HN 0.105 8.514 8.370 0.241 0.106 0.518 195 S N -0.537 115.257 115.700 0.156 0.000 2.573 195 S HA -0.567 4.121 4.470 0.124 -0.144 0.297 195 S C 0.951 175.560 174.600 0.014 0.000 1.280 195 S CA 2.611 60.873 58.200 0.102 0.000 1.061 195 S CB 0.086 63.358 63.200 0.120 0.000 0.812 195 S HN -0.388 7.992 8.310 0.189 0.042 0.500 196 G N 4.606 113.406 108.800 -0.000 0.000 2.253 196 G HA2 -0.451 3.563 3.960 -0.023 0.000 0.251 196 G HA3 -0.451 3.592 3.960 -0.055 -0.117 0.251 196 G C -0.140 174.795 174.900 0.057 0.000 0.998 196 G CA 0.137 45.230 45.100 -0.012 0.000 0.621 196 G HN 0.798 9.002 8.290 0.030 0.105 0.524 197 G N 1.010 109.867 108.800 0.095 0.000 2.621 197 G HA2 0.342 4.448 3.960 0.124 0.000 0.271 197 G HA3 0.342 4.376 3.960 0.123 0.000 0.271 197 G C -2.677 172.306 174.900 0.139 0.000 1.236 197 G CA -1.903 43.271 45.100 0.122 0.000 0.958 197 G HN -0.259 7.997 8.290 0.099 0.093 0.512 198 P HA 0.363 4.985 4.420 0.137 -0.120 0.284 198 P C -1.641 175.729 177.300 0.117 0.000 1.258 198 P CA -0.956 62.239 63.100 0.159 0.000 0.824 198 P CB 1.703 33.562 31.700 0.265 0.000 1.038 199 V N 2.452 122.415 119.914 0.082 0.000 2.419 199 V HA 0.273 4.552 4.120 -0.005 -0.163 0.287 199 V C -1.329 174.780 176.094 0.025 0.000 1.017 199 V CA -0.440 61.870 62.300 0.017 0.000 0.844 199 V CB 1.653 33.458 31.823 -0.031 0.000 1.011 199 V HN -0.169 8.075 8.190 0.090 0.000 0.429 200 V N 7.961 127.882 119.914 0.011 0.000 2.459 200 V HA 0.618 4.893 4.120 -0.058 -0.190 0.295 200 V C -1.359 174.719 176.094 -0.026 0.000 1.029 200 V CA -1.287 60.992 62.300 -0.034 0.000 0.874 200 V CB 3.042 34.823 31.823 -0.069 0.000 0.985 200 V HN 0.729 8.939 8.190 0.034 0.000 0.438 201 c N 7.549 126.120 118.600 -0.047 0.000 2.431 201 c HA 0.582 5.133 4.570 -0.033 0.000 0.321 201 c C 0.128 174.190 174.090 -0.047 0.000 1.202 201 c CA -1.241 55.059 56.329 -0.049 0.000 1.398 201 c CB 1.936 44.398 42.510 -0.080 0.000 2.047 201 c HN 0.742 8.936 8.230 -0.059 0.000 0.465 202 S N 5.500 121.181 115.700 -0.032 0.000 3.549 202 S HA -0.340 4.121 4.470 -0.016 0.000 0.366 202 S C 0.388 174.969 174.600 -0.032 0.000 1.012 202 S CA 0.975 59.159 58.200 -0.027 0.000 1.141 202 S CB -1.319 61.861 63.200 -0.033 0.000 0.910 202 S HN 1.113 9.410 8.310 -0.023 0.000 0.471 203 G N -5.073 103.706 108.800 -0.035 0.000 2.153 203 G HA2 -0.356 3.568 3.960 -0.059 0.000 0.252 203 G HA3 -0.356 3.582 3.960 -0.035 0.000 0.252 203 G C -0.829 174.020 174.900 -0.085 0.000 0.994 203 G CA 0.496 45.564 45.100 -0.054 0.000 0.698 203 G HN 0.326 8.591 8.290 -0.026 0.009 0.521 210 Q N 1.169 120.990 119.800 0.035 0.000 2.391 210 Q HA 0.186 4.561 4.340 0.059 0.000 0.211 210 Q C -0.209 175.952 176.000 0.269 0.000 0.908 210 Q CA 0.199 56.044 55.803 0.070 0.000 0.920 210 Q CB 2.561 31.262 28.738 -0.063 0.000 1.056 210 Q HN 0.378 8.658 8.270 0.017 0.000 0.523 211 G N -3.234 105.742 108.800 0.294 0.000 2.694 211 G HA2 0.612 5.063 3.960 0.417 0.000 0.290 211 G HA3 0.612 4.843 3.960 0.452 0.000 0.290 211 G C -3.258 171.765 174.900 0.205 0.000 1.386 211 G CA -0.667 44.651 45.100 0.365 0.000 0.872 211 G HN -0.350 8.048 8.290 0.180 0.000 0.475 212 I N -1.184 119.501 120.570 0.192 0.000 2.498 212 I HA 0.551 5.022 4.170 0.158 -0.206 0.290 212 I C -0.448 175.798 176.117 0.214 0.000 1.032 212 I CA -1.390 60.006 61.300 0.160 0.000 1.073 212 I CB 4.173 42.226 38.000 0.088 0.000 1.251 212 I HN -0.358 7.958 8.210 0.176 0.000 0.426 213 V N 7.403 127.459 119.914 0.236 0.000 2.493 213 V HA -0.213 4.006 4.120 0.165 0.000 0.292 213 V C -1.116 174.997 176.094 0.032 0.000 1.016 213 V CA 2.248 64.646 62.300 0.163 0.000 1.097 213 V CB -0.891 31.043 31.823 0.184 0.000 0.947 213 V HN 0.422 8.734 8.190 0.203 0.000 0.479 214 S N 7.543 123.158 115.700 -0.141 0.000 3.393 214 S HA 0.301 4.953 4.470 0.303 0.000 0.209 214 S C -1.045 173.656 174.600 0.168 0.000 0.897 214 S CA 0.755 59.020 58.200 0.108 0.000 0.825 214 S CB 2.731 65.992 63.200 0.103 0.000 0.898 214 S HN -0.074 7.930 8.310 -0.509 0.000 0.615 215 W N -4.231 116.913 121.300 -0.261 0.000 2.940 215 W HA 0.272 4.834 4.660 -0.164 0.000 0.394 215 W C -2.886 173.462 176.519 -0.284 0.000 1.155 215 W CA -0.830 56.373 57.345 -0.237 0.000 1.165 215 W CB 0.735 30.049 29.460 -0.242 0.000 1.492 215 W HN -0.163 7.686 8.180 -0.551 0.000 0.593 216 G N -3.406 105.438 108.800 0.072 0.000 2.356 216 G HA2 0.105 3.752 3.960 -0.521 0.000 0.294 216 G HA3 0.105 3.989 3.960 -0.126 0.000 0.294 216 G C -2.134 172.903 174.900 0.227 0.000 1.423 216 G CA 0.091 45.133 45.100 -0.097 0.000 0.806 216 G HN -0.038 8.489 8.290 0.394 0.000 0.527 220 c N 1.865 120.503 118.600 0.064 0.000 3.465 220 c HA 0.321 5.080 4.570 0.065 -0.150 0.193 220 c C -1.440 172.683 174.090 0.053 0.000 1.515 220 c CA -0.861 55.504 56.329 0.059 0.000 1.340 220 c CB -1.233 41.307 42.510 0.049 0.000 1.928 220 c HN 0.332 8.595 8.230 0.056 0.000 0.510 221 Q N -1.758 118.075 119.800 0.055 0.000 2.889 221 Q HA 0.130 4.490 4.340 0.034 0.000 0.262 221 Q C -1.536 174.486 176.000 0.037 0.000 0.966 221 Q CA -0.730 55.098 55.803 0.041 0.000 0.858 221 Q CB 2.395 31.158 28.738 0.042 0.000 1.845 221 Q HN 0.062 8.371 8.270 0.065 0.000 0.464 222 K N 3.979 124.394 120.400 0.025 0.000 2.448 222 K HA -0.247 4.220 4.320 0.033 -0.127 0.278 222 K C 0.218 176.816 176.600 -0.003 0.000 1.009 222 K CA 0.736 57.034 56.287 0.019 0.000 0.995 222 K CB 0.002 32.510 32.500 0.013 0.000 0.917 222 K HN 0.258 8.521 8.250 0.022 0.000 0.481 223 N N 2.213 120.908 118.700 -0.008 0.000 2.713 223 N HA -0.474 4.242 4.740 -0.041 0.000 0.251 223 N C -1.671 173.766 175.510 -0.123 0.000 1.117 223 N CA 1.796 54.814 53.050 -0.054 0.000 0.770 223 N CB -0.437 38.013 38.487 -0.062 0.000 1.137 223 N HN 0.789 9.049 8.380 0.014 0.128 0.566 224 K N -2.583 117.776 120.400 -0.069 0.000 2.842 224 K HA 0.543 4.660 4.320 -0.338 0.000 0.176 224 K C -2.394 174.257 176.600 0.084 0.000 1.080 224 K CA -3.462 52.778 56.287 -0.079 0.000 0.954 224 K CB -0.127 32.380 32.500 0.010 0.000 1.203 224 K HN -0.736 7.452 8.250 -0.010 0.056 0.611 225 P HA -0.045 4.440 4.420 0.109 0.000 0.274 225 P C -0.552 176.798 177.300 0.084 0.000 1.260 225 P CA -0.414 62.756 63.100 0.116 0.000 0.793 225 P CB 1.145 32.904 31.700 0.098 0.000 1.048 226 G N -2.487 106.329 108.800 0.027 0.000 2.476 226 G HA2 0.338 4.087 3.960 -0.352 0.000 0.269 226 G HA3 0.338 4.160 3.960 -0.230 0.000 0.269 226 G C -1.820 172.766 174.900 -0.523 0.000 1.195 226 G CA -0.743 44.195 45.100 -0.270 0.000 0.843 226 G HN -0.388 7.978 8.290 0.126 0.000 0.545 227 V N 1.647 120.910 119.914 -1.084 0.000 2.555 227 V HA 0.715 4.609 4.120 -0.683 -0.184 0.302 227 V C -1.010 174.315 176.094 -1.282 0.000 1.038 227 V CA -1.116 60.505 62.300 -1.132 0.000 0.887 227 V CB 2.420 33.128 31.823 -1.858 0.000 0.991 227 V HN 0.527 8.026 8.190 -1.152 0.000 0.434 228 Y N 4.838 124.725 120.300 -0.689 0.000 2.499 228 Y HA 0.584 5.042 4.550 -0.381 -0.136 0.347 228 Y C 0.197 175.808 175.900 -0.483 0.000 0.987 228 Y CA -2.301 55.405 58.100 -0.656 0.000 1.044 228 Y CB 3.819 41.609 38.460 -1.118 0.000 1.245 228 Y HN 1.068 8.965 8.280 -0.638 0.000 0.461 229 T N 4.891 119.408 114.554 -0.061 0.000 2.870 229 T HA 0.007 4.576 4.350 0.106 -0.155 0.300 229 T C -0.629 174.208 174.700 0.228 0.000 0.989 229 T CA 1.475 63.625 62.100 0.083 0.000 1.139 229 T CB 0.464 69.362 68.868 0.049 0.000 0.920 229 T HN 0.436 8.668 8.240 -0.013 0.000 0.537 230 K N 8.400 129.020 120.400 0.367 0.000 2.171 230 K HA 0.060 4.806 4.320 0.710 0.000 0.274 230 K C 0.976 177.835 176.600 0.432 0.000 1.110 230 K CA -0.406 56.175 56.287 0.490 0.000 0.952 230 K CB -0.392 32.345 32.500 0.394 0.000 1.309 230 K HN 0.156 8.497 8.250 0.330 0.107 0.414 231 V N 6.139 126.285 119.914 0.387 0.000 2.453 231 V HA -0.535 3.872 4.120 0.477 0.000 0.252 231 V C 1.482 177.743 176.094 0.278 0.000 1.068 231 V CA 3.920 66.432 62.300 0.353 0.000 1.070 231 V CB -0.276 31.683 31.823 0.227 0.000 0.664 231 V HN 0.245 8.675 8.190 0.400 0.000 0.461 232 c N -3.336 115.364 118.600 0.168 0.000 2.409 232 c HA -0.229 4.389 4.570 0.081 0.000 0.284 232 c C 1.710 175.825 174.090 0.041 0.000 1.354 232 c CA 1.750 58.129 56.329 0.082 0.000 1.787 232 c CB -2.132 40.394 42.510 0.028 0.000 1.900 232 c HN 0.468 8.777 8.230 0.165 0.021 0.520 233 N N 0.180 118.876 118.700 -0.006 0.000 2.494 233 N HA -0.096 4.547 4.740 -0.162 0.000 0.182 233 N C -0.070 175.202 175.510 -0.397 0.000 1.076 233 N CA 1.221 54.120 53.050 -0.252 0.000 0.908 233 N CB -0.194 38.007 38.487 -0.477 0.000 0.967 233 N HN -0.355 8.033 8.380 0.082 0.042 0.449 234 Y N -5.015 115.352 120.300 0.113 0.000 2.531 234 Y HA 0.114 4.797 4.550 0.221 0.000 0.249 234 Y C 0.236 176.268 175.900 0.221 0.000 1.168 234 Y CA -0.306 57.914 58.100 0.201 0.000 1.226 234 Y CB -0.081 38.517 38.460 0.230 0.000 1.177 234 Y HN -0.158 8.050 8.280 0.208 0.197 0.527 235 V N 1.099 121.150 119.914 0.228 0.000 2.332 235 V HA -0.581 3.635 4.120 0.160 0.000 0.248 235 V C 1.321 177.488 176.094 0.121 0.000 1.055 235 V CA 5.038 67.429 62.300 0.152 0.000 1.038 235 V CB -0.565 31.308 31.823 0.083 0.000 0.651 235 V HN -0.852 7.435 8.190 0.162 0.000 0.450 236 S N -0.059 115.714 115.700 0.121 0.000 2.368 236 S HA -0.326 4.166 4.470 0.037 0.000 0.225 236 S C 1.612 176.284 174.600 0.119 0.000 1.030 236 S CA 3.663 61.915 58.200 0.088 0.000 0.999 236 S CB -0.511 62.737 63.200 0.080 0.000 0.844 236 S HN 0.142 8.522 8.310 0.116 0.000 0.459 237 W N 3.920 125.258 121.300 0.064 0.000 2.355 237 W HA -0.187 4.500 4.660 0.044 0.000 0.309 237 W C 1.707 178.242 176.519 0.026 0.000 1.206 237 W CA 3.074 60.467 57.345 0.081 0.000 1.284 237 W CB -0.019 29.575 29.460 0.223 0.000 1.145 237 W HN -0.419 7.990 8.180 0.383 0.000 0.502 238 I N -0.732 119.869 120.570 0.052 0.000 2.127 238 I HA -0.767 3.046 4.170 -0.596 0.000 0.241 238 I C 1.816 177.714 176.117 -0.365 0.000 1.075 238 I CA 4.555 65.699 61.300 -0.260 0.000 1.334 238 I CB -0.254 37.739 38.000 -0.012 0.000 1.040 238 I HN 0.354 8.774 8.210 0.351 0.000 0.405 239 K N -0.936 119.344 120.400 -0.200 0.000 2.063 239 K HA -0.428 3.743 4.320 -0.249 0.000 0.208 239 K C 2.788 179.238 176.600 -0.250 0.000 1.048 239 K CA 3.802 59.964 56.287 -0.209 0.000 0.928 239 K CB -0.365 32.071 32.500 -0.107 0.000 0.713 239 K HN -0.048 8.149 8.250 -0.088 0.000 0.442 240 Q N -1.606 118.058 119.800 -0.227 0.000 2.119 240 Q HA -0.277 3.968 4.340 -0.159 0.000 0.201 240 Q C 2.789 178.601 176.000 -0.313 0.000 0.972 240 Q CA 3.110 58.786 55.803 -0.212 0.000 0.847 240 Q CB 0.032 28.689 28.738 -0.134 0.000 0.903 240 Q HN 0.216 8.270 8.270 -0.182 0.107 0.433 241 T N 2.772 117.013 114.554 -0.522 0.000 2.737 241 T HA -0.257 3.844 4.350 -0.414 0.000 0.265 241 T C 2.267 176.643 174.700 -0.540 0.000 1.038 241 T CA 4.954 66.701 62.100 -0.589 0.000 1.144 241 T CB -0.136 68.108 68.868 -1.042 0.000 0.866 241 T HN -0.027 7.840 8.240 -0.622 0.000 0.434 242 I N 1.047 121.188 120.570 -0.716 0.000 2.226 242 I HA -0.468 2.924 4.170 -1.297 0.000 0.245 242 I C 1.822 177.717 176.117 -0.371 0.000 1.100 242 I CA 3.820 64.590 61.300 -0.884 0.000 1.374 242 I CB -0.383 37.018 38.000 -0.999 0.000 1.057 242 I HN 0.128 7.916 8.210 -0.703 0.000 0.413 243 A N -0.351 122.302 122.820 -0.279 0.000 2.019 243 A HA -0.207 4.052 4.320 -0.102 0.000 0.219 243 A C 1.054 178.589 177.584 -0.081 0.000 1.164 243 A CA 2.986 54.940 52.037 -0.139 0.000 0.644 243 A CB -0.314 18.613 19.000 -0.123 0.000 0.805 243 A HN 0.086 8.041 8.150 -0.326 0.000 0.449 244 S N -4.967 110.673 115.700 -0.100 0.000 2.557 244 S HA 0.087 4.543 4.470 -0.024 0.000 0.223 244 S C -0.222 174.384 174.600 0.010 0.000 0.969 244 S CA 0.117 58.292 58.200 -0.043 0.000 0.927 244 S CB 0.788 63.953 63.200 -0.059 0.000 0.806 244 S HN -0.382 7.691 8.310 -0.168 0.135 0.489 245 N N 0.000 118.736 118.700 0.060 0.000 1.763 245 N HA 0.000 4.816 4.740 0.126 0.000 0.220 245 N CA 0.000 53.164 53.050 0.190 0.000 0.885 245 N CB 0.000 38.676 38.487 0.315 0.000 1.341 245 N HN 0.000 8.225 8.380 0.022 0.168 0.667