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 1o34_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 4.182 4.170 0.020 0.000 0.288 16 I C 0.000 176.106 176.117 -0.018 0.000 1.063 16 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 16 I CB 0.000 37.957 38.000 -0.072 0.000 1.214 17 V N 5.445 125.359 119.914 -0.000 0.000 2.459 17 V HA 0.315 4.559 4.120 -0.019 -0.136 0.295 17 V C 0.480 176.571 176.094 -0.005 0.000 1.029 17 V CA -1.688 60.608 62.300 -0.007 0.000 0.874 17 V CB 1.495 33.320 31.823 0.004 0.000 0.985 17 V HN 0.765 8.967 8.190 0.020 0.000 0.438 18 G N 6.482 115.273 108.800 -0.014 0.000 2.143 18 G HA2 -0.386 3.562 3.960 -0.020 0.000 0.248 18 G HA3 -0.386 3.686 3.960 -0.040 -0.136 0.248 18 G C -0.600 174.301 174.900 0.002 0.000 0.991 18 G CA 0.444 45.532 45.100 -0.020 0.000 0.689 18 G HN 0.723 9.004 8.290 -0.016 0.000 0.522 19 G N -1.110 107.691 108.800 0.000 0.000 2.583 19 G HA2 0.485 4.478 3.960 0.075 0.000 0.280 19 G HA3 0.485 4.470 3.960 -0.102 -0.086 0.280 19 G C -1.640 173.295 174.900 0.059 0.000 1.376 19 G CA -1.048 44.051 45.100 -0.002 0.000 1.043 19 G HN -0.697 7.540 8.290 -0.017 0.042 0.538 20 Y N -6.105 114.173 120.300 -0.038 0.000 2.665 20 Y HA 0.396 4.927 4.550 -0.032 0.000 0.336 20 Y C -1.723 174.150 175.900 -0.046 0.000 1.085 20 Y CA -3.010 55.069 58.100 -0.036 0.000 1.096 20 Y CB 0.990 39.432 38.460 -0.031 0.000 1.301 20 Y HN 0.337 8.150 8.280 -0.607 0.103 0.493 21 T N 2.293 116.900 114.554 0.088 0.000 2.799 21 T HA 0.106 4.515 4.350 -0.104 -0.122 0.296 21 T C 0.178 174.892 174.700 0.023 0.000 0.947 21 T CA 1.013 63.109 62.100 -0.007 0.000 1.141 21 T CB -0.026 68.868 68.868 0.043 0.000 0.891 21 T HN -0.000 8.355 8.240 0.191 0.000 0.533 22 c N 6.365 124.880 118.600 -0.141 0.000 2.429 22 c HA -0.105 4.465 4.570 -0.001 0.000 0.277 22 c C 0.042 174.153 174.090 0.036 0.000 1.262 22 c CA 0.748 57.033 56.329 -0.073 0.000 1.733 22 c CB 0.266 42.663 42.510 -0.187 0.000 2.010 22 c HN 0.092 8.187 8.230 -0.225 0.000 0.483 23 G N -2.138 106.666 108.800 0.006 0.000 2.841 23 G HA2 -0.160 3.817 3.960 0.029 0.000 0.684 23 G HA3 -0.160 3.821 3.960 0.035 0.000 0.684 23 G C -1.971 172.931 174.900 0.003 0.000 1.273 23 G CA -0.822 44.291 45.100 0.023 0.000 0.811 23 G HN -0.386 7.890 8.290 -0.024 0.000 0.631 24 A N 3.803 126.632 122.820 0.015 0.000 2.567 24 A HA -0.224 4.341 4.320 0.026 -0.229 0.240 24 A C -0.172 177.417 177.584 0.008 0.000 1.053 24 A CA 1.073 53.122 52.037 0.019 0.000 0.755 24 A CB 0.135 19.153 19.000 0.029 0.000 0.978 24 A HN 0.326 8.489 8.150 0.021 0.000 0.507 25 N N -2.937 115.765 118.700 0.005 0.000 2.693 25 N HA -0.375 4.357 4.740 -0.013 0.000 0.249 25 N C 0.375 175.868 175.510 -0.029 0.000 1.119 25 N CA 1.667 54.712 53.050 -0.009 0.000 0.717 25 N CB -1.045 37.449 38.487 0.010 0.000 1.071 25 N HN 0.568 8.959 8.380 0.019 0.000 0.555 26 T N -3.872 110.655 114.554 -0.044 0.000 3.100 26 T HA 0.022 4.365 4.350 -0.011 0.000 0.253 26 T C -0.057 174.594 174.700 -0.081 0.000 1.118 26 T CA 1.933 64.013 62.100 -0.034 0.000 1.058 26 T CB 0.493 69.356 68.868 -0.008 0.000 0.953 26 T HN -0.548 7.632 8.240 -0.050 0.030 0.515 27 V N 2.345 122.151 119.914 -0.181 0.000 2.320 27 V HA 0.375 4.274 4.120 -0.367 0.000 0.257 27 V C -1.552 174.237 176.094 -0.508 0.000 0.996 27 V CA -3.411 58.635 62.300 -0.423 0.000 0.928 27 V CB 0.630 32.180 31.823 -0.455 0.000 1.169 27 V HN -0.525 7.499 8.190 -0.157 0.071 0.475 28 P HA 0.074 4.528 4.420 -0.085 -0.086 0.230 28 P C 0.009 177.267 177.300 -0.071 0.000 1.158 28 P CA 1.516 64.551 63.100 -0.108 0.000 0.769 28 P CB 0.136 31.846 31.700 0.018 0.000 0.807 29 Y N -5.749 114.576 120.300 0.042 0.000 2.466 29 Y HA 0.485 5.193 4.550 0.056 -0.124 0.272 29 Y C -0.656 175.281 175.900 0.061 0.000 1.169 29 Y CA -3.329 54.802 58.100 0.051 0.000 1.285 29 Y CB -1.358 37.129 38.460 0.044 0.000 1.078 29 Y HN -0.424 7.259 8.280 -0.900 0.057 0.523 30 Q N 2.975 122.614 119.800 -0.269 0.000 2.297 30 Q HA 0.182 4.680 4.340 0.049 -0.128 0.267 30 Q C -0.341 175.733 176.000 0.124 0.000 1.006 30 Q CA 0.100 55.863 55.803 -0.066 0.000 0.896 30 Q CB 0.894 29.498 28.738 -0.224 0.000 1.186 30 Q HN -0.629 7.256 8.270 -0.539 0.062 0.392 31 V N 1.465 121.490 119.914 0.186 0.000 3.046 31 V HA 0.821 5.159 4.120 0.183 -0.108 0.316 31 V C -1.925 174.311 176.094 0.236 0.000 1.104 31 V CA -2.961 59.444 62.300 0.175 0.000 1.006 31 V CB 3.818 35.694 31.823 0.088 0.000 1.058 31 V HN 0.393 8.690 8.190 0.177 0.000 0.440 32 S N 0.153 115.896 115.700 0.073 0.000 2.473 32 S HA 0.447 5.140 4.470 0.192 -0.107 0.307 32 S C -1.003 173.464 174.600 -0.221 0.000 1.094 32 S CA -1.935 56.245 58.200 -0.034 0.000 1.070 32 S CB 1.736 64.703 63.200 -0.388 0.000 1.019 32 S HN 0.065 8.376 8.310 0.001 0.000 0.480 33 L N 6.929 127.884 121.223 -0.446 0.000 2.275 33 L HA 0.542 4.764 4.340 -0.406 -0.125 0.288 33 L C -1.504 174.853 176.870 -0.855 0.000 1.046 33 L CA -0.820 53.615 54.840 -0.675 0.000 0.805 33 L CB 0.891 42.354 42.059 -0.993 0.000 1.193 33 L HN 0.723 8.655 8.230 -0.497 0.000 0.426 38 G N 0.228 108.924 108.800 -0.173 0.000 2.195 38 G HA2 -0.302 3.648 3.960 -0.017 0.000 0.224 38 G HA3 -0.302 3.722 3.960 0.107 0.000 0.224 38 G C -1.523 173.452 174.900 0.124 0.000 0.990 38 G CA 0.371 45.478 45.100 0.011 0.000 0.639 38 G HN 0.298 8.826 8.290 -0.202 -0.360 0.514 39 Y N -7.183 113.092 120.300 -0.041 0.000 2.732 39 Y HA 0.204 4.713 4.550 -0.069 0.000 0.342 39 Y C -2.559 173.332 175.900 -0.015 0.000 1.203 39 Y CA -3.343 54.731 58.100 -0.043 0.000 1.092 39 Y CB 0.693 39.127 38.460 -0.043 0.000 1.345 39 Y HN -1.173 6.832 8.280 -0.479 -0.013 0.458 40 H N 2.327 121.330 119.070 -0.111 0.000 2.690 40 H HA 0.135 4.632 4.556 -0.382 -0.170 0.314 40 H C -0.407 174.899 175.328 -0.037 0.000 1.069 40 H CA -0.695 55.217 56.048 -0.227 0.000 1.436 40 H CB 0.479 30.088 29.762 -0.255 0.000 1.462 40 H HN 0.273 8.643 8.280 0.150 0.000 0.511 41 F N 2.325 121.826 119.950 -0.747 0.000 2.819 41 F HA 0.316 4.734 4.527 -0.183 0.000 0.325 41 F C -1.516 174.013 175.800 -0.451 0.000 1.041 41 F CA -0.638 57.115 58.000 -0.411 0.000 1.184 41 F CB 1.633 40.481 39.000 -0.252 0.000 1.019 41 F HN 0.010 7.571 8.300 -1.230 0.000 0.590 42 c N -1.625 116.315 118.600 -1.100 0.000 3.321 42 c HA 0.319 4.785 4.570 -0.173 0.000 0.329 42 c C -1.717 172.194 174.090 -0.299 0.000 1.394 42 c CA -0.160 55.887 56.329 -0.471 0.000 1.291 42 c CB 4.030 46.343 42.510 -0.328 0.000 1.606 42 c HN -0.829 6.432 8.230 -1.615 0.000 0.463 43 G N -0.949 107.859 108.800 0.013 0.000 2.705 43 G HA2 0.824 5.078 3.960 0.249 0.000 0.299 43 G HA3 0.824 4.926 3.960 0.236 0.000 0.299 43 G C -2.525 172.407 174.900 0.053 0.000 1.315 43 G CA -1.678 43.518 45.100 0.160 0.000 1.045 43 G HN 0.731 9.038 8.290 0.029 0.000 0.517 44 G N -4.076 104.784 108.800 0.101 0.000 2.506 44 G HA2 0.491 4.788 3.960 0.078 0.000 0.292 44 G HA3 0.491 4.484 3.960 0.055 0.000 0.292 44 G C -2.906 172.079 174.900 0.142 0.000 1.425 44 G CA 0.408 45.560 45.100 0.087 0.000 0.788 44 G HN -0.616 7.767 8.290 0.154 0.000 0.490 45 S N -0.427 115.364 115.700 0.152 0.000 2.521 45 S HA 0.850 5.697 4.470 0.282 -0.207 0.295 45 S C -1.249 173.458 174.600 0.178 0.000 1.098 45 S CA -0.958 57.369 58.200 0.212 0.000 0.999 45 S CB 3.743 67.057 63.200 0.190 0.000 1.034 45 S HN 0.520 8.906 8.310 0.127 0.000 0.483 46 L N 6.130 127.475 121.223 0.203 0.000 2.313 46 L HA 0.132 4.560 4.340 0.148 0.000 0.282 46 L C -0.783 176.173 176.870 0.143 0.000 1.092 46 L CA -0.007 54.932 54.840 0.164 0.000 0.831 46 L CB 0.953 43.109 42.059 0.161 0.000 1.159 46 L HN 0.478 8.764 8.230 0.270 0.106 0.442 47 I N 0.103 120.752 120.570 0.133 0.000 4.181 47 I HA 0.499 4.857 4.170 0.063 -0.150 0.331 47 I C -0.947 175.228 176.117 0.095 0.000 1.312 47 I CA -0.650 60.705 61.300 0.092 0.000 1.146 47 I CB 0.828 38.874 38.000 0.077 0.000 1.074 47 I HN 0.390 8.696 8.210 0.160 0.000 0.402 48 N N -2.282 116.497 118.700 0.132 0.000 3.179 48 N HA 0.181 4.977 4.740 0.093 0.000 0.250 48 N C -0.639 174.949 175.510 0.130 0.000 1.507 48 N CA -0.580 52.545 53.050 0.125 0.000 0.883 48 N CB 0.731 39.307 38.487 0.147 0.000 1.435 48 N HN -0.924 7.550 8.380 0.156 0.000 0.532 49 S N -3.599 112.165 115.700 0.107 0.000 2.515 49 S HA -0.283 4.229 4.470 0.069 0.000 0.231 49 S C 0.755 175.387 174.600 0.053 0.000 0.987 49 S CA 2.645 60.889 58.200 0.075 0.000 0.936 49 S CB -0.043 63.189 63.200 0.054 0.000 0.766 49 S HN 0.369 8.739 8.310 0.100 0.000 0.528 50 Q N -0.139 119.702 119.800 0.070 0.000 2.127 50 Q HA 0.347 4.627 4.340 -0.099 0.000 0.222 50 Q C -2.137 173.727 176.000 -0.226 0.000 0.794 50 Q CA -0.505 55.240 55.803 -0.096 0.000 1.010 50 Q CB 2.658 31.307 28.738 -0.148 0.000 1.170 50 Q HN 0.170 8.861 8.270 0.168 -0.320 0.479 51 W N -1.794 119.512 121.300 0.010 0.000 2.883 51 W HA 0.648 5.506 4.660 0.005 -0.195 0.335 51 W C -1.633 174.898 176.519 0.021 0.000 1.083 51 W CA -1.008 56.342 57.345 0.007 0.000 1.233 51 W CB 3.710 33.164 29.460 -0.010 0.000 1.412 51 W HN -0.036 8.441 8.180 0.240 -0.152 0.490 52 V N 1.714 121.780 119.914 0.253 0.000 2.769 52 V HA 0.823 5.222 4.120 0.167 -0.179 0.312 52 V C -1.394 174.813 176.094 0.188 0.000 1.061 52 V CA -1.828 60.576 62.300 0.173 0.000 0.931 52 V CB 3.730 35.612 31.823 0.098 0.000 1.010 52 V HN 0.798 9.141 8.190 0.255 0.000 0.433 53 V N 5.432 125.435 119.914 0.149 0.000 2.495 53 V HA 0.723 5.097 4.120 0.157 -0.160 0.298 53 V C -1.328 174.826 176.094 0.100 0.000 1.031 53 V CA -1.239 61.142 62.300 0.135 0.000 0.871 53 V CB 2.294 34.191 31.823 0.124 0.000 0.988 53 V HN 0.738 9.011 8.190 0.139 0.000 0.432 54 S N 4.420 120.166 115.700 0.077 0.000 2.973 54 S HA 0.582 5.286 4.470 0.036 -0.212 0.317 54 S C -2.023 172.569 174.600 -0.014 0.000 1.196 54 S CA -2.510 55.706 58.200 0.028 0.000 0.894 54 S CB 2.497 65.701 63.200 0.007 0.000 1.292 54 S HN 0.736 9.103 8.310 0.095 0.000 0.614 55 A N -0.687 122.079 122.820 -0.090 0.000 2.312 55 A HA 0.453 4.849 4.320 -0.119 -0.147 0.328 55 A C 0.362 177.810 177.584 -0.226 0.000 1.158 55 A CA -1.743 50.190 52.037 -0.174 0.000 0.821 55 A CB 1.675 20.492 19.000 -0.306 0.000 1.170 55 A HN 0.300 8.386 8.150 -0.105 0.000 0.490 56 A N 4.492 127.125 122.820 -0.313 0.000 1.972 56 A HA -0.240 3.927 4.320 -0.256 0.000 0.219 56 A C 1.306 178.651 177.584 -0.399 0.000 1.169 56 A CA 2.823 54.562 52.037 -0.498 0.000 0.635 56 A CB -0.306 17.964 19.000 -1.217 0.000 0.810 56 A HN 0.591 8.600 8.150 -0.292 -0.034 0.446 57 H N -5.179 113.740 119.070 -0.251 0.000 2.563 57 H HA -0.055 4.538 4.556 0.061 0.000 0.272 57 H C 0.201 175.580 175.328 0.085 0.000 1.005 57 H CA 1.306 57.362 56.048 0.013 0.000 1.171 57 H CB -1.221 28.617 29.762 0.126 0.000 1.351 57 H HN -0.095 8.319 8.280 -0.207 -0.258 0.602 58 c N -1.718 116.803 118.600 -0.131 0.000 2.697 58 c HA 0.010 4.664 4.570 0.141 0.000 0.267 58 c C 0.400 174.571 174.090 0.135 0.000 1.278 58 c CA 0.132 56.492 56.329 0.052 0.000 1.708 58 c CB -1.577 40.932 42.510 -0.002 0.000 1.860 58 c HN -0.214 7.685 8.230 -0.239 0.187 0.589 59 Y N 3.081 123.385 120.300 0.006 0.000 2.717 59 Y HA -0.273 4.298 4.550 0.035 0.000 0.330 59 Y C -1.132 174.752 175.900 -0.026 0.000 1.217 59 Y CA 2.043 60.148 58.100 0.009 0.000 1.506 59 Y CB 0.482 38.935 38.460 -0.011 0.000 1.268 59 Y HN -0.613 7.589 8.280 0.162 0.175 0.561 60 K N 6.514 126.208 120.400 -1.177 0.000 2.617 60 K HA 0.222 4.129 4.320 -0.689 0.000 0.293 60 K C -2.259 173.852 176.600 -0.815 0.000 1.034 60 K CA -1.055 54.734 56.287 -0.829 0.000 0.884 60 K CB 2.627 34.779 32.500 -0.579 0.000 1.541 60 K HN -0.180 7.349 8.250 -1.202 0.000 0.409 61 S N -0.466 114.969 115.700 -0.441 0.000 2.718 61 S HA 0.170 4.485 4.470 -0.258 0.000 0.300 61 S C 0.726 175.207 174.600 -0.197 0.000 1.117 61 S CA -0.446 57.602 58.200 -0.254 0.000 1.002 61 S CB 1.372 64.503 63.200 -0.115 0.000 1.092 61 S HN -0.183 7.924 8.310 -0.339 0.000 0.542 62 G N -0.209 108.513 108.800 -0.129 0.000 2.248 62 G HA2 -0.164 3.748 3.960 -0.081 0.000 0.263 62 G HA3 -0.164 3.728 3.960 -0.113 0.000 0.263 62 G C -1.517 173.322 174.900 -0.102 0.000 1.082 62 G CA 0.089 45.125 45.100 -0.106 0.000 0.863 62 G HN 0.330 8.559 8.290 -0.103 0.000 0.495 63 I N -1.029 119.491 120.570 -0.083 0.000 2.336 63 I HA 0.163 4.478 4.170 0.006 -0.141 0.292 63 I C -1.633 174.442 176.117 -0.070 0.000 0.991 63 I CA -1.039 60.239 61.300 -0.036 0.000 1.227 63 I CB 0.917 38.916 38.000 -0.001 0.000 1.366 63 I HN -0.535 7.622 8.210 -0.089 0.000 0.466 64 Q N 7.465 127.204 119.800 -0.103 0.000 3.018 64 Q HA 0.501 4.784 4.340 -0.096 0.000 0.209 64 Q C -1.610 174.289 176.000 -0.168 0.000 1.036 64 Q CA -1.908 53.815 55.803 -0.134 0.000 0.886 64 Q CB 4.185 32.808 28.738 -0.193 0.000 2.058 64 Q HN 0.595 8.803 8.270 -0.104 0.000 0.452 65 R N -2.872 117.558 120.500 -0.117 0.000 2.937 65 R HA 0.417 5.003 4.340 0.124 -0.172 0.273 65 R C -1.273 175.057 176.300 0.050 0.000 1.176 65 R CA 0.000 56.078 56.100 -0.037 0.000 1.132 65 R CB 2.498 32.634 30.300 -0.273 0.000 1.270 65 R HN 0.504 8.686 8.270 -0.145 0.000 0.425 70 E N -0.256 120.037 120.200 0.154 0.000 2.319 70 E HA 0.087 4.512 4.350 0.124 0.000 0.268 70 E C -1.792 174.987 176.600 0.298 0.000 1.050 70 E CA 0.406 56.912 56.400 0.177 0.000 0.878 70 E CB 1.327 31.065 29.700 0.063 0.000 1.066 70 E HN -0.606 7.821 8.360 0.174 0.037 0.406 71 D N 0.987 121.542 120.400 0.259 0.000 2.912 71 D HA 0.051 4.900 4.640 0.348 0.000 0.170 71 D C -1.068 175.424 176.300 0.320 0.000 1.484 71 D CA 0.872 55.039 54.000 0.278 0.000 1.542 71 D CB 2.413 43.292 40.800 0.132 0.000 1.344 71 D HN 0.081 8.552 8.370 0.168 0.000 0.222 72 N N 1.160 119.959 118.700 0.165 0.000 2.405 72 N HA 0.120 5.082 4.740 0.168 -0.121 0.260 72 N C 2.109 177.623 175.510 0.007 0.000 1.152 72 N CA -0.280 52.837 53.050 0.113 0.000 0.948 72 N CB 0.404 38.934 38.487 0.071 0.000 1.111 72 N HN -0.488 8.242 8.380 0.121 -0.277 0.485 73 I N 0.732 121.217 120.570 -0.141 0.000 3.444 73 I HA -0.074 4.084 4.170 -0.267 -0.148 0.287 73 I C -0.588 175.442 176.117 -0.144 0.000 1.302 73 I CA 1.181 62.299 61.300 -0.303 0.000 1.368 73 I CB -0.812 36.760 38.000 -0.714 0.000 1.048 73 I HN 0.432 8.572 8.210 -0.117 0.000 0.487 74 N N -2.057 116.606 118.700 -0.061 0.000 2.220 74 N HA 0.121 4.844 4.740 -0.028 0.000 0.195 74 N C -0.725 174.791 175.510 0.010 0.000 1.123 74 N CA 0.104 53.142 53.050 -0.020 0.000 0.874 74 N CB 2.054 40.539 38.487 -0.003 0.000 0.995 74 N HN -0.063 8.575 8.380 -0.039 -0.281 0.498 75 V N 0.087 120.011 119.914 0.018 0.000 2.604 75 V HA 0.038 4.173 4.120 0.025 0.000 0.305 75 V C -1.269 174.844 176.094 0.032 0.000 1.043 75 V CA -1.176 61.140 62.300 0.026 0.000 0.888 75 V CB 3.076 34.913 31.823 0.024 0.000 0.995 75 V HN -0.815 7.497 8.190 0.011 -0.115 0.429 76 V N 7.570 127.497 119.914 0.022 0.000 2.372 76 V HA -0.166 4.180 4.120 0.005 -0.223 0.261 76 V C 0.138 176.225 176.094 -0.012 0.000 1.055 76 V CA 0.627 62.924 62.300 -0.006 0.000 0.930 76 V CB -0.321 31.478 31.823 -0.041 0.000 1.031 76 V HN 0.305 8.506 8.190 0.019 0.000 0.479 77 E N 7.971 128.167 120.200 -0.006 0.000 2.489 77 E HA 0.131 4.479 4.350 -0.003 0.000 0.204 77 E C -0.221 176.370 176.600 -0.014 0.000 1.006 77 E CA -0.439 55.960 56.400 -0.002 0.000 0.936 77 E CB 0.636 30.345 29.700 0.015 0.000 1.002 77 E HN 0.277 9.037 8.360 0.000 -0.400 0.488 78 G N 0.080 108.861 108.800 -0.033 0.000 2.576 78 G HA2 -0.226 3.696 3.960 -0.063 0.000 0.686 78 G HA3 -0.226 3.717 3.960 -0.029 0.000 0.686 78 G C -1.722 173.159 174.900 -0.031 0.000 1.242 78 G CA -0.713 44.363 45.100 -0.041 0.000 0.819 78 G HN -0.453 8.025 8.290 -0.043 -0.214 0.655 79 N N -3.761 114.916 118.700 -0.038 0.000 2.962 79 N HA -0.286 4.441 4.740 -0.021 0.000 0.206 79 N C -0.842 174.654 175.510 -0.025 0.000 0.907 79 N CA 1.362 54.400 53.050 -0.021 0.000 1.029 79 N CB -0.288 38.202 38.487 0.004 0.000 1.009 79 N HN 0.163 8.512 8.380 -0.051 0.000 0.587 80 E N -0.999 119.165 120.200 -0.060 0.000 2.383 80 E HA 0.117 4.728 4.350 0.033 -0.241 0.264 80 E C -0.172 176.356 176.600 -0.120 0.000 1.050 80 E CA 0.827 57.189 56.400 -0.063 0.000 0.896 80 E CB 0.471 30.069 29.700 -0.171 0.000 0.982 80 E HN -0.185 8.030 8.360 -0.080 0.097 0.424 81 Q N 1.370 121.170 119.800 0.001 0.000 2.274 81 Q HA 0.263 4.550 4.340 -0.088 0.000 0.268 81 Q C -1.544 174.593 176.000 0.228 0.000 1.015 81 Q CA -1.152 54.658 55.803 0.013 0.000 0.775 81 Q CB 3.047 31.804 28.738 0.032 0.000 1.256 81 Q HN 0.209 8.551 8.270 0.120 0.000 0.442 82 F N 3.809 123.738 119.950 -0.036 0.000 2.361 82 F HA 0.397 5.062 4.527 -0.054 -0.171 0.364 82 F C -0.240 175.534 175.800 -0.044 0.000 1.117 82 F CA -2.967 55.005 58.000 -0.047 0.000 1.071 82 F CB 0.737 39.708 39.000 -0.049 0.000 1.188 82 F HN 0.394 8.735 8.300 0.067 0.000 0.464 83 I N 4.560 125.199 120.570 0.114 0.000 2.498 83 I HA 0.242 4.437 4.170 0.042 0.000 0.290 83 I C -1.161 174.950 176.117 -0.009 0.000 1.032 83 I CA -1.351 59.971 61.300 0.036 0.000 1.073 83 I CB 3.793 41.800 38.000 0.013 0.000 1.251 83 I HN 0.713 8.976 8.210 0.089 0.000 0.426 84 S N 5.918 121.606 115.700 -0.020 0.000 2.592 84 S HA 0.032 4.470 4.470 -0.052 0.000 0.271 84 S C -0.477 174.086 174.600 -0.062 0.000 1.326 84 S CA 0.852 59.026 58.200 -0.043 0.000 1.024 84 S CB 0.929 64.107 63.200 -0.036 0.000 0.921 84 S HN 0.463 8.767 8.310 -0.010 0.000 0.527 85 A N 3.147 125.927 122.820 -0.067 0.000 2.363 85 A HA 0.152 4.509 4.320 -0.103 -0.099 0.270 85 A C -0.199 177.336 177.584 -0.082 0.000 1.121 85 A CA -0.228 51.760 52.037 -0.081 0.000 0.800 85 A CB 0.544 19.507 19.000 -0.061 0.000 1.052 85 A HN -0.131 7.981 8.150 -0.063 0.000 0.493 86 S N 3.363 118.994 115.700 -0.114 0.000 2.456 86 S HA 0.052 4.482 4.470 -0.067 0.000 0.224 86 S C 0.305 174.862 174.600 -0.071 0.000 1.035 86 S CA 1.439 59.583 58.200 -0.094 0.000 0.940 86 S CB 0.950 64.075 63.200 -0.124 0.000 0.799 86 S HN 0.813 8.911 8.310 -0.163 0.114 0.508 87 K N -0.412 119.937 120.400 -0.085 0.000 2.578 87 K HA 0.246 4.580 4.320 0.024 0.000 0.269 87 K C -2.406 174.213 176.600 0.030 0.000 0.941 87 K CA -0.162 56.119 56.287 -0.011 0.000 0.847 87 K CB 3.180 35.677 32.500 -0.005 0.000 1.397 87 K HN -0.702 7.464 8.250 -0.139 0.000 0.422 88 S N 1.676 117.453 115.700 0.129 0.000 2.473 88 S HA 0.722 5.464 4.470 0.165 -0.173 0.307 88 S C -0.701 174.024 174.600 0.207 0.000 1.094 88 S CA -0.453 57.868 58.200 0.202 0.000 1.070 88 S CB 2.377 65.765 63.200 0.313 0.000 1.019 88 S HN 0.193 8.596 8.310 0.155 0.000 0.480 89 I N 7.494 128.194 120.570 0.217 0.000 2.405 89 I HA 0.113 4.372 4.170 0.148 0.000 0.280 89 I C -1.502 174.761 176.117 0.243 0.000 1.027 89 I CA -0.868 60.556 61.300 0.207 0.000 1.161 89 I CB 1.159 39.292 38.000 0.222 0.000 1.300 89 I HN 1.042 9.290 8.210 0.243 0.108 0.463 90 V N 7.849 127.839 119.914 0.127 0.000 2.686 90 V HA -0.176 3.996 4.120 0.086 0.000 0.295 90 V C -0.238 175.946 176.094 0.150 0.000 1.055 90 V CA -0.473 61.872 62.300 0.074 0.000 1.050 90 V CB 0.863 32.630 31.823 -0.092 0.000 0.984 90 V HN 0.353 8.570 8.190 0.045 0.000 0.482 91 H N 8.630 127.687 119.070 -0.021 0.000 3.034 91 H HA -0.029 4.370 4.556 -0.261 0.000 0.324 91 H C -0.440 174.859 175.328 -0.048 0.000 1.015 91 H CA 0.386 56.293 56.048 -0.235 0.000 1.429 91 H CB 1.511 30.961 29.762 -0.519 0.000 1.429 91 H HN -0.250 8.073 8.280 0.072 0.000 0.585 92 P HA -0.089 4.342 4.420 0.017 0.000 0.219 92 P C -0.430 176.916 177.300 0.077 0.000 1.146 92 P CA 1.400 64.472 63.100 -0.046 0.000 0.808 92 P CB 0.342 31.996 31.700 -0.078 0.000 0.779 93 S N -3.329 112.530 115.700 0.266 0.000 2.582 93 S HA 0.047 4.582 4.470 0.108 0.000 0.234 93 S C -0.377 174.337 174.600 0.190 0.000 0.961 93 S CA -0.086 58.246 58.200 0.220 0.000 0.953 93 S CB 0.416 63.740 63.200 0.206 0.000 0.800 93 S HN -0.351 8.224 8.310 0.498 0.035 0.471 94 Y N 4.708 125.059 120.300 0.086 0.000 2.610 94 Y HA -0.255 4.453 4.550 -0.048 -0.187 0.332 94 Y C -0.925 174.967 175.900 -0.012 0.000 1.201 94 Y CA 0.889 58.989 58.100 0.000 0.000 1.465 94 Y CB 0.773 39.239 38.460 0.009 0.000 1.283 94 Y HN -0.514 7.806 8.280 0.346 0.168 0.563 95 N N 7.130 125.472 118.700 -0.596 0.000 2.518 95 N HA 0.212 4.677 4.740 -0.459 0.000 0.254 95 N C -0.219 174.750 175.510 -0.902 0.000 0.979 95 N CA -1.267 51.442 53.050 -0.568 0.000 0.930 95 N CB 1.619 39.936 38.487 -0.284 0.000 1.152 95 N HN -0.104 8.033 8.380 -0.405 0.000 0.505 96 S N 6.785 121.930 115.700 -0.924 0.000 2.507 96 S HA -0.125 3.945 4.470 -0.668 0.000 0.235 96 S C 0.706 175.119 174.600 -0.313 0.000 0.988 96 S CA 2.395 60.243 58.200 -0.586 0.000 0.944 96 S CB -0.258 62.796 63.200 -0.243 0.000 0.762 96 S HN 0.648 8.520 8.310 -0.729 0.000 0.526 97 N N 1.650 120.173 118.700 -0.295 0.000 2.402 97 N HA 0.076 4.691 4.740 -0.208 0.000 0.174 97 N C 0.911 176.258 175.510 -0.271 0.000 1.027 97 N CA 2.043 54.955 53.050 -0.230 0.000 0.891 97 N CB 0.784 39.165 38.487 -0.177 0.000 1.016 97 N HN 0.278 8.696 8.380 -0.326 -0.233 0.439 98 T N -3.833 110.555 114.554 -0.276 0.000 2.990 98 T HA 0.088 4.235 4.350 -0.339 0.000 0.250 98 T C 0.153 174.661 174.700 -0.320 0.000 1.041 98 T CA 0.221 62.149 62.100 -0.287 0.000 1.010 98 T CB 1.794 70.550 68.868 -0.186 0.000 1.003 98 T HN -0.393 7.937 8.240 -0.278 -0.257 0.499 99 L N -3.211 117.863 121.223 -0.249 0.000 4.089 99 L HA -0.504 3.958 4.340 0.093 -0.066 0.408 99 L C -2.006 174.903 176.870 0.064 0.000 1.184 99 L CA 0.422 55.237 54.840 -0.043 0.000 0.947 99 L CB -2.509 39.472 42.059 -0.129 0.000 2.066 99 L HN -0.079 7.975 8.230 -0.294 0.000 0.851 100 N N -1.081 117.607 118.700 -0.020 0.000 2.530 100 N HA -0.139 4.651 4.740 0.083 0.000 0.273 100 N C -0.138 175.419 175.510 0.079 0.000 1.173 100 N CA 0.624 53.697 53.050 0.037 0.000 0.967 100 N CB 1.287 39.768 38.487 -0.010 0.000 1.109 100 N HN -0.706 7.563 8.380 -0.119 0.040 0.453 101 N N -1.058 117.676 118.700 0.056 0.000 2.756 101 N HA -0.470 4.176 4.740 -0.156 0.000 0.248 101 N C -1.457 174.015 175.510 -0.063 0.000 1.062 101 N CA 1.347 54.319 53.050 -0.129 0.000 0.696 101 N CB -1.537 36.747 38.487 -0.339 0.000 0.946 101 N HN 0.652 9.088 8.380 0.093 0.000 0.548 102 D N -1.123 119.285 120.400 0.014 0.000 2.551 102 D HA 0.057 4.663 4.640 -0.057 0.000 0.223 102 D C -1.628 174.573 176.300 -0.166 0.000 1.144 102 D CA -0.383 53.618 54.000 0.002 0.000 1.025 102 D CB -0.660 40.249 40.800 0.182 0.000 1.085 102 D HN -0.102 8.294 8.370 0.043 0.000 0.506 103 I N 2.408 122.821 120.570 -0.261 0.000 2.827 103 I HA 0.568 4.832 4.170 -0.125 -0.169 0.298 103 I C -3.129 172.954 176.117 -0.057 0.000 1.235 103 I CA -1.411 59.773 61.300 -0.193 0.000 1.021 103 I CB 4.138 41.906 38.000 -0.386 0.000 1.259 103 I HN -0.197 7.811 8.210 -0.279 0.035 0.427 104 M N 6.301 125.938 119.600 0.062 0.000 2.470 104 M HA 0.689 5.492 4.480 0.257 -0.169 0.285 104 M C -2.818 173.614 176.300 0.220 0.000 1.213 104 M CA -1.069 54.330 55.300 0.165 0.000 0.901 104 M CB 4.837 37.486 32.600 0.082 0.000 1.718 104 M HN 0.523 8.758 8.290 0.048 0.084 0.469 105 L N 3.068 124.456 121.223 0.275 0.000 2.334 105 L HA 0.894 5.571 4.340 0.258 -0.181 0.276 105 L C -1.310 175.742 176.870 0.304 0.000 1.014 105 L CA -1.556 53.459 54.840 0.292 0.000 0.815 105 L CB 3.392 45.611 42.059 0.266 0.000 1.268 105 L HN 0.373 8.789 8.230 0.309 0.000 0.428 106 I N 0.792 121.518 120.570 0.261 0.000 2.465 106 I HA 0.636 5.039 4.170 0.080 -0.185 0.291 106 I C -1.592 174.457 176.117 -0.113 0.000 1.014 106 I CA -1.467 59.883 61.300 0.084 0.000 1.093 106 I CB 3.168 41.193 38.000 0.041 0.000 1.267 106 I HN 0.824 9.209 8.210 0.292 0.000 0.431 107 K N 6.301 126.448 120.400 -0.422 0.000 2.159 107 K HA 0.698 4.379 4.320 -1.342 -0.166 0.266 107 K C -1.117 175.197 176.600 -0.478 0.000 0.975 107 K CA -2.030 53.672 56.287 -0.974 0.000 0.865 107 K CB 3.153 34.923 32.500 -1.217 0.000 1.087 107 K HN 0.780 8.870 8.250 -0.267 0.000 0.446 108 L N 4.544 125.520 121.223 -0.411 0.000 2.375 108 L HA 0.236 4.592 4.340 -0.168 -0.117 0.271 108 L C 1.576 178.330 176.870 -0.192 0.000 1.107 108 L CA -0.130 54.580 54.840 -0.217 0.000 0.806 108 L CB 0.393 42.365 42.059 -0.144 0.000 1.146 108 L HN 0.694 8.501 8.230 -0.525 0.109 0.447 109 K N 2.971 123.297 120.400 -0.124 0.000 2.026 109 K HA -0.320 3.940 4.320 -0.099 0.000 0.208 109 K C -0.489 176.064 176.600 -0.078 0.000 1.048 109 K CA 2.736 58.968 56.287 -0.091 0.000 0.929 109 K CB 0.462 32.927 32.500 -0.058 0.000 0.713 109 K HN 0.523 8.711 8.250 -0.103 0.000 0.439 110 S N -4.451 111.210 115.700 -0.065 0.000 2.638 110 S HA 0.161 4.603 4.470 -0.046 0.000 0.302 110 S C -1.644 172.928 174.600 -0.048 0.000 1.096 110 S CA -1.345 56.827 58.200 -0.046 0.000 0.953 110 S CB 3.238 66.422 63.200 -0.027 0.000 1.107 110 S HN -0.360 7.913 8.310 -0.061 0.000 0.503 111 A N -0.590 122.211 122.820 -0.032 0.000 2.351 111 A HA 0.134 4.563 4.320 -0.032 -0.129 0.257 111 A C -0.565 177.016 177.584 -0.005 0.000 1.087 111 A CA -0.419 51.607 52.037 -0.019 0.000 0.798 111 A CB 0.700 19.698 19.000 -0.002 0.000 1.033 111 A HN 0.187 8.322 8.150 -0.025 0.000 0.488 112 A N 0.363 123.188 122.820 0.008 0.000 2.322 112 A HA 0.226 4.619 4.320 0.012 -0.065 0.269 112 A C -0.458 177.138 177.584 0.019 0.000 1.094 112 A CA -1.466 50.581 52.037 0.017 0.000 0.807 112 A CB 1.421 20.439 19.000 0.030 0.000 1.047 112 A HN 0.414 8.460 8.150 0.012 0.111 0.487 113 S N 0.967 116.676 115.700 0.016 0.000 2.448 113 S HA -0.011 4.468 4.470 0.014 0.000 0.279 113 S C -0.481 174.132 174.600 0.022 0.000 1.195 113 S CA -0.054 58.154 58.200 0.014 0.000 1.051 113 S CB 0.277 63.480 63.200 0.005 0.000 0.948 113 S HN 0.034 8.669 8.310 0.013 -0.317 0.493 114 L N 6.128 127.367 121.223 0.027 0.000 2.312 114 L HA 0.174 4.636 4.340 0.039 -0.098 0.281 114 L C -0.513 176.375 176.870 0.029 0.000 1.070 114 L CA -0.389 54.472 54.840 0.035 0.000 0.805 114 L CB 0.615 42.700 42.059 0.042 0.000 1.174 114 L HN 0.208 8.453 8.230 0.026 0.000 0.434 115 N N 3.921 122.639 118.700 0.031 0.000 3.600 115 N HA 0.256 5.010 4.740 0.023 0.000 0.348 115 N C -1.176 174.352 175.510 0.030 0.000 1.649 115 N CA -0.831 52.234 53.050 0.025 0.000 0.710 115 N CB 0.585 39.083 38.487 0.018 0.000 2.380 115 N HN 0.045 8.447 8.380 0.036 0.000 0.631 116 S N -2.929 112.787 115.700 0.026 0.000 2.470 116 S HA -0.117 4.374 4.470 0.035 0.000 0.225 116 S C 0.747 175.365 174.600 0.030 0.000 1.006 116 S CA 1.963 60.180 58.200 0.029 0.000 0.934 116 S CB 0.186 63.400 63.200 0.023 0.000 0.778 116 S HN 0.027 8.350 8.310 0.021 0.000 0.517 117 R N -0.652 119.863 120.500 0.025 0.000 2.210 117 R HA 0.059 4.410 4.340 0.018 0.000 0.203 117 R C -0.993 175.324 176.300 0.029 0.000 1.010 117 R CA 0.669 56.782 56.100 0.022 0.000 1.008 117 R CB 0.788 31.099 30.300 0.018 0.000 0.923 117 R HN -0.297 8.162 8.270 0.023 -0.175 0.469 118 V N -2.099 117.838 119.914 0.038 0.000 2.443 118 V HA 0.223 4.542 4.120 0.052 -0.169 0.293 118 V C -2.063 174.071 176.094 0.067 0.000 1.021 118 V CA -1.024 61.307 62.300 0.051 0.000 0.848 118 V CB 2.057 33.908 31.823 0.047 0.000 0.998 118 V HN -0.132 8.367 8.190 0.036 -0.288 0.424 119 A N 6.711 129.588 122.820 0.095 0.000 2.587 119 A HA 0.449 4.822 4.320 0.088 0.000 0.293 119 A C -2.617 175.061 177.584 0.158 0.000 1.087 119 A CA -1.064 51.041 52.037 0.113 0.000 0.692 119 A CB 3.342 22.410 19.000 0.112 0.000 1.291 119 A HN 0.277 8.370 8.150 0.104 0.119 0.407 120 S N -1.528 114.247 115.700 0.126 0.000 2.693 120 S HA 0.511 5.209 4.470 0.165 -0.129 0.276 120 S C -0.684 173.964 174.600 0.080 0.000 1.192 120 S CA -1.412 56.862 58.200 0.123 0.000 0.994 120 S CB 1.689 64.941 63.200 0.087 0.000 1.012 120 S HN -0.027 8.341 8.310 0.097 0.000 0.550 121 I N 0.627 121.195 120.570 -0.003 0.000 2.603 121 I HA 0.206 4.289 4.170 -0.145 0.000 0.300 121 I C -1.279 174.780 176.117 -0.097 0.000 1.017 121 I CA -1.552 59.646 61.300 -0.171 0.000 1.098 121 I CB 3.952 41.620 38.000 -0.553 0.000 1.279 121 I HN 0.308 8.535 8.210 0.028 0.000 0.437 122 S N 6.763 122.405 115.700 -0.095 0.000 2.580 122 S HA 0.190 4.641 4.470 -0.032 0.000 0.274 122 S C -0.608 173.963 174.600 -0.049 0.000 1.329 122 S CA -0.047 58.121 58.200 -0.053 0.000 1.036 122 S CB 0.718 63.892 63.200 -0.043 0.000 0.919 122 S HN 0.259 8.499 8.310 -0.117 0.000 0.515 123 L N 3.230 124.439 121.223 -0.023 0.000 2.418 123 L HA 0.132 4.471 4.340 -0.002 0.000 0.265 123 L C -1.479 175.387 176.870 -0.007 0.000 1.143 123 L CA -2.084 52.753 54.840 -0.004 0.000 0.809 123 L CB 0.019 42.084 42.059 0.010 0.000 1.124 123 L HN 0.210 8.429 8.230 -0.018 0.000 0.456 124 P HA 0.181 4.590 4.420 -0.019 0.000 0.281 124 P C -1.227 176.072 177.300 -0.003 0.000 1.249 124 P CA -0.853 62.243 63.100 -0.008 0.000 0.810 124 P CB 0.648 32.343 31.700 -0.009 0.000 1.008 128 c N 1.182 119.756 118.600 -0.044 0.000 2.604 128 c HA 0.098 4.628 4.570 -0.066 0.000 0.396 128 c C 0.500 174.529 174.090 -0.101 0.000 1.282 128 c CA -0.648 55.639 56.329 -0.069 0.000 2.292 128 c CB 0.440 42.912 42.510 -0.062 0.000 2.633 128 c HN -0.073 8.134 8.230 -0.038 0.000 0.620 129 A N 1.970 124.693 122.820 -0.161 0.000 2.286 129 A HA 0.042 4.287 4.320 -0.124 0.000 0.286 129 A C -0.743 176.735 177.584 -0.175 0.000 1.097 129 A CA -0.169 51.764 52.037 -0.174 0.000 0.821 129 A CB 0.992 19.852 19.000 -0.233 0.000 1.076 129 A HN 0.208 8.236 8.150 -0.203 0.000 0.490 133 G N 2.638 111.400 108.800 -0.063 0.000 2.268 133 G HA2 -0.289 3.638 3.960 -0.055 0.000 0.240 133 G HA3 -0.289 3.644 3.960 -0.045 0.000 0.240 133 G C 0.280 175.143 174.900 -0.062 0.000 1.010 133 G CA -0.106 44.960 45.100 -0.055 0.000 0.618 133 G HN 0.848 8.988 8.290 -0.066 0.110 0.516 134 T N 3.838 118.345 114.554 -0.079 0.000 2.928 134 T HA -0.191 4.123 4.350 -0.060 0.000 0.305 134 T C -0.925 173.732 174.700 -0.072 0.000 1.035 134 T CA 2.348 64.402 62.100 -0.078 0.000 1.145 134 T CB 0.739 69.543 68.868 -0.107 0.000 0.963 134 T HN -0.385 7.725 8.240 -0.092 0.076 0.545 135 Q N 5.516 125.288 119.800 -0.047 0.000 2.256 135 Q HA 0.167 4.596 4.340 -0.037 -0.111 0.254 135 Q C -0.860 175.126 176.000 -0.024 0.000 0.916 135 Q CA 0.213 55.999 55.803 -0.027 0.000 0.932 135 Q CB 1.332 30.069 28.738 -0.002 0.000 1.207 135 Q HN 0.190 8.436 8.270 -0.040 0.000 0.426 136 c N 3.509 122.097 118.600 -0.020 0.000 2.913 136 c HA 0.634 5.302 4.570 -0.010 -0.104 0.322 136 c C -1.810 172.292 174.090 0.019 0.000 1.292 136 c CA -1.573 54.748 56.329 -0.013 0.000 1.649 136 c CB 4.269 46.754 42.510 -0.042 0.000 2.139 136 c HN 0.828 8.935 8.230 -0.021 0.110 0.475 137 L N 0.520 121.763 121.223 0.033 0.000 2.333 137 L HA 0.879 5.438 4.340 0.063 -0.181 0.280 137 L C -2.298 174.592 176.870 0.034 0.000 1.004 137 L CA -1.383 53.490 54.840 0.055 0.000 0.820 137 L CB 3.507 45.619 42.059 0.088 0.000 1.247 137 L HN 0.619 8.763 8.230 0.029 0.104 0.416 138 I N 6.753 127.327 120.570 0.007 0.000 2.474 138 I HA 0.836 5.246 4.170 0.022 -0.226 0.294 138 I C -1.397 174.690 176.117 -0.050 0.000 1.005 138 I CA -1.508 59.792 61.300 -0.001 0.000 1.113 138 I CB 2.785 40.787 38.000 0.003 0.000 1.289 138 I HN 0.793 9.007 8.210 0.008 0.000 0.436 139 S N 2.431 118.091 115.700 -0.067 0.000 2.588 139 S HA 1.051 5.553 4.470 -0.234 -0.172 0.275 139 S C -1.171 173.304 174.600 -0.208 0.000 1.130 139 S CA -1.795 56.287 58.200 -0.196 0.000 0.855 139 S CB 3.727 66.771 63.200 -0.260 0.000 1.116 139 S HN -0.183 8.120 8.310 -0.012 0.000 0.472 140 G N -1.240 107.343 108.800 -0.362 0.000 2.316 140 G HA2 0.145 3.870 3.960 -0.392 0.000 0.296 140 G HA3 0.145 4.218 3.960 -0.048 -0.142 0.296 140 G C -2.385 172.291 174.900 -0.373 0.000 1.399 140 G CA 0.553 45.475 45.100 -0.297 0.000 0.833 140 G HN 0.211 8.223 8.290 -0.463 0.000 0.565 141 W N 1.173 122.420 121.300 -0.087 0.000 3.015 141 W HA 0.414 5.025 4.660 -0.081 0.000 0.429 141 W C -0.216 176.353 176.519 0.083 0.000 0.976 141 W CA -0.975 56.289 57.345 -0.134 0.000 2.086 141 W CB 0.078 29.233 29.460 -0.508 0.000 1.125 141 W HN 0.592 8.945 8.180 0.288 0.000 0.721 142 G N 0.725 109.711 108.800 0.309 0.000 2.563 142 G HA2 -0.019 4.293 3.960 0.587 0.000 0.283 142 G HA3 -0.019 4.304 3.960 0.301 -0.182 0.283 142 G C -1.173 173.855 174.900 0.214 0.000 1.309 142 G CA -0.844 44.483 45.100 0.377 0.000 1.022 142 G HN -0.469 8.097 8.290 0.190 -0.162 0.501 143 N N -0.758 117.978 118.700 0.060 0.000 2.353 143 N HA -0.282 4.171 4.740 -0.765 -0.172 0.248 143 N C 0.897 176.318 175.510 -0.149 0.000 1.240 143 N CA 1.048 53.891 53.050 -0.344 0.000 0.862 143 N CB 0.699 38.985 38.487 -0.334 0.000 1.086 143 N HN 0.148 8.670 8.380 0.237 0.000 0.453 144 T N 0.475 114.930 114.554 -0.166 0.000 3.054 144 T HA 0.201 4.678 4.350 -0.055 -0.160 0.255 144 T C 0.120 174.778 174.700 -0.071 0.000 1.035 144 T CA 0.473 62.524 62.100 -0.082 0.000 0.941 144 T CB 1.456 70.288 68.868 -0.059 0.000 1.026 144 T HN 0.163 8.254 8.240 -0.249 0.000 0.533 145 K N 2.286 122.630 120.400 -0.093 0.000 2.221 145 K HA 0.265 4.562 4.320 -0.040 0.000 0.258 145 K C -0.450 176.126 176.600 -0.041 0.000 0.944 145 K CA -1.075 55.177 56.287 -0.058 0.000 0.823 145 K CB 2.435 34.898 32.500 -0.061 0.000 1.113 145 K HN -0.873 7.526 8.250 -0.146 -0.237 0.431 146 S N 1.110 116.799 115.700 -0.019 0.000 2.446 146 S HA -0.122 4.349 4.470 0.002 0.000 0.225 146 S C -0.037 174.564 174.600 0.001 0.000 1.016 146 S CA 1.930 60.129 58.200 -0.001 0.000 0.943 146 S CB 0.683 63.887 63.200 0.008 0.000 0.786 146 S HN 0.144 8.444 8.310 -0.016 0.000 0.508 147 S N 1.459 117.156 115.700 -0.005 0.000 2.269 147 S HA 0.196 4.670 4.470 0.006 0.000 0.194 147 S C -0.812 173.784 174.600 -0.007 0.000 1.547 147 S CA -0.060 58.140 58.200 0.000 0.000 1.186 147 S CB -0.391 62.811 63.200 0.003 0.000 1.069 147 S HN -0.493 7.785 8.310 -0.010 0.026 0.473 148 G N 1.543 110.337 108.800 -0.009 0.000 2.371 148 G HA2 -0.184 3.777 3.960 0.001 0.000 0.663 148 G HA3 -0.184 3.769 3.960 -0.013 0.000 0.663 148 G C -2.716 172.157 174.900 -0.045 0.000 1.311 148 G CA -0.734 44.358 45.100 -0.013 0.000 0.985 148 G HN -0.293 7.993 8.290 -0.005 0.000 0.566 149 T N -3.309 111.215 114.554 -0.049 0.000 2.786 149 T HA 0.225 4.640 4.350 -0.264 -0.223 0.283 149 T C -1.170 173.429 174.700 -0.168 0.000 0.992 149 T CA -1.740 60.270 62.100 -0.150 0.000 0.954 149 T CB 2.163 71.030 68.868 -0.002 0.000 0.934 149 T HN -0.164 8.068 8.240 -0.013 0.000 0.440 150 S N 4.789 120.312 115.700 -0.295 0.000 2.647 150 S HA 0.262 4.716 4.470 -0.028 0.000 0.300 150 S C -2.212 172.224 174.600 -0.273 0.000 1.129 150 S CA -1.027 57.090 58.200 -0.138 0.000 1.029 150 S CB 1.496 64.648 63.200 -0.080 0.000 1.007 150 S HN 0.845 9.292 8.310 -0.432 -0.397 0.484 151 Y N 5.695 126.033 120.300 0.064 0.000 2.352 151 Y HA 0.272 4.878 4.550 0.094 0.000 0.339 151 Y C -0.978 174.973 175.900 0.085 0.000 0.992 151 Y CA -2.872 55.280 58.100 0.087 0.000 1.100 151 Y CB 1.678 40.199 38.460 0.103 0.000 1.192 151 Y HN 0.193 8.597 8.280 0.207 0.000 0.458 152 P HA 0.280 4.780 4.420 0.133 0.000 0.279 152 P C -1.595 175.836 177.300 0.218 0.000 1.276 152 P CA -1.113 62.094 63.100 0.177 0.000 0.801 152 P CB 1.898 33.671 31.700 0.123 0.000 1.127 153 D N -2.824 117.680 120.400 0.173 0.000 2.323 153 D HA -0.008 4.704 4.640 0.119 0.000 0.218 153 D C -0.637 175.816 176.300 0.254 0.000 0.973 153 D CA 1.712 55.804 54.000 0.153 0.000 0.890 153 D CB 0.865 41.723 40.800 0.096 0.000 1.011 153 D HN 0.396 8.847 8.370 0.135 0.000 0.499 154 V N -7.526 112.530 119.914 0.237 0.000 3.096 154 V HA 0.582 5.183 4.120 0.403 -0.239 0.319 154 V C -0.800 175.350 176.094 0.093 0.000 1.082 154 V CA -2.762 59.690 62.300 0.253 0.000 1.022 154 V CB 1.895 33.784 31.823 0.109 0.000 1.103 154 V HN -0.944 7.343 8.190 0.162 0.000 0.455 155 L N 1.228 122.377 121.223 -0.124 0.000 2.455 155 L HA -0.021 3.466 4.340 -1.421 0.000 0.272 155 L C -0.412 176.186 176.870 -0.454 0.000 1.174 155 L CA 0.649 55.050 54.840 -0.732 0.000 0.869 155 L CB 0.586 42.195 42.059 -0.750 0.000 1.130 155 L HN -0.215 8.249 8.230 0.070 -0.192 0.474 156 K N 5.766 125.877 120.400 -0.483 0.000 2.156 156 K HA 0.667 4.928 4.320 -0.344 -0.148 0.250 156 K C -1.132 175.205 176.600 -0.439 0.000 0.955 156 K CA -2.509 53.558 56.287 -0.367 0.000 0.855 156 K CB 2.454 34.811 32.500 -0.238 0.000 1.101 156 K HN -0.132 7.751 8.250 -0.610 0.000 0.434 157 c N -0.603 117.637 118.600 -0.599 0.000 2.707 157 c HA 0.942 5.444 4.570 -0.403 -0.173 0.313 157 c C -1.814 171.917 174.090 -0.597 0.000 1.209 157 c CA -0.766 55.166 56.329 -0.662 0.000 1.635 157 c CB 3.653 45.611 42.510 -0.920 0.000 2.206 157 c HN 0.750 8.556 8.230 -0.707 0.000 0.485 158 L N 0.215 121.299 121.223 -0.232 0.000 2.493 158 L HA 0.379 4.775 4.340 0.093 0.000 0.265 158 L C -2.442 174.501 176.870 0.123 0.000 0.954 158 L CA 0.114 54.962 54.840 0.014 0.000 0.844 158 L CB 4.430 46.508 42.059 0.031 0.000 1.302 158 L HN 0.717 8.841 8.230 -0.175 0.000 0.405 159 K N 6.251 126.786 120.400 0.224 0.000 2.211 159 K HA 0.779 5.382 4.320 0.134 -0.202 0.275 159 K C -0.977 175.758 176.600 0.225 0.000 1.024 159 K CA -1.344 55.055 56.287 0.187 0.000 0.887 159 K CB 1.024 33.636 32.500 0.186 0.000 1.084 159 K HN 0.329 8.746 8.250 0.279 0.000 0.463 160 A N 4.183 127.074 122.820 0.119 0.000 2.549 160 A HA 0.664 5.011 4.320 0.045 0.000 0.297 160 A C -3.378 174.146 177.584 -0.100 0.000 1.061 160 A CA -2.689 49.359 52.037 0.019 0.000 0.690 160 A CB 3.126 22.142 19.000 0.026 0.000 1.287 160 A HN 0.862 9.050 8.150 0.063 0.000 0.402 161 P HA 0.741 5.306 4.420 -0.100 -0.204 0.285 161 P C -1.115 176.116 177.300 -0.116 0.000 1.269 161 P CA -1.520 61.490 63.100 -0.150 0.000 0.844 161 P CB 1.655 33.259 31.700 -0.159 0.000 1.094 162 I N 0.351 120.872 120.570 -0.081 0.000 2.496 162 I HA -0.057 4.269 4.170 0.081 -0.108 0.285 162 I C 0.039 176.144 176.117 -0.021 0.000 1.080 162 I CA 0.448 61.729 61.300 -0.031 0.000 1.404 162 I CB 0.169 38.069 38.000 -0.167 0.000 1.403 162 I HN 0.196 8.349 8.210 -0.096 0.000 0.539 163 L N 7.238 128.485 121.223 0.039 0.000 2.454 163 L HA 0.204 4.534 4.340 -0.016 0.000 0.256 163 L C -0.268 176.620 176.870 0.030 0.000 1.136 163 L CA -0.789 54.062 54.840 0.019 0.000 0.804 163 L CB 0.688 42.768 42.059 0.036 0.000 1.181 163 L HN 0.283 8.476 8.230 0.117 0.107 0.469 164 S N -1.202 114.508 115.700 0.018 0.000 2.603 164 S HA -0.002 4.474 4.470 0.011 0.000 0.268 164 S C 0.343 174.969 174.600 0.043 0.000 1.317 164 S CA -0.511 57.701 58.200 0.020 0.000 1.012 164 S CB 1.353 64.559 63.200 0.010 0.000 0.926 164 S HN -0.056 8.260 8.310 0.010 0.000 0.539 165 D N 1.645 122.072 120.400 0.044 0.000 2.144 165 D HA -0.230 4.462 4.640 0.086 0.000 0.199 165 D C 1.738 178.072 176.300 0.055 0.000 0.984 165 D CA 3.247 57.284 54.000 0.062 0.000 0.834 165 D CB -0.206 40.626 40.800 0.053 0.000 0.955 165 D HN 0.564 8.952 8.370 0.030 0.000 0.465 166 S N -1.078 114.645 115.700 0.038 0.000 2.368 166 S HA -0.328 4.163 4.470 0.036 0.000 0.225 166 S C 2.174 176.794 174.600 0.032 0.000 1.030 166 S CA 3.726 61.945 58.200 0.032 0.000 0.999 166 S CB -0.281 62.932 63.200 0.021 0.000 0.844 166 S HN 0.011 8.332 8.310 0.030 0.008 0.459 167 S N 3.059 118.777 115.700 0.029 0.000 2.383 167 S HA -0.227 4.249 4.470 0.010 0.000 0.227 167 S C 1.811 176.431 174.600 0.034 0.000 1.026 167 S CA 3.881 62.093 58.200 0.021 0.000 0.981 167 S CB -0.137 63.072 63.200 0.014 0.000 0.818 167 S HN -0.533 7.794 8.310 0.027 0.000 0.472 168 c N 3.446 122.085 118.600 0.066 0.000 2.436 168 c HA -0.310 4.332 4.570 0.121 0.000 0.277 168 c C 1.672 175.846 174.090 0.139 0.000 1.241 168 c CA 2.705 59.104 56.329 0.116 0.000 1.721 168 c CB -1.727 40.862 42.510 0.132 0.000 2.043 168 c HN -0.178 8.091 8.230 0.065 0.000 0.472 169 K N -1.227 119.240 120.400 0.111 0.000 2.211 169 K HA -0.312 4.105 4.320 0.161 0.000 0.203 169 K C 2.369 179.016 176.600 0.078 0.000 1.050 169 K CA 2.944 59.299 56.287 0.113 0.000 0.945 169 K CB -0.292 32.260 32.500 0.086 0.000 0.732 169 K HN 0.143 8.448 8.250 0.092 0.000 0.451 170 S N -1.094 114.631 115.700 0.042 0.000 2.406 170 S HA -0.187 4.294 4.470 0.017 0.000 0.228 170 S C 1.342 175.923 174.600 -0.032 0.000 1.020 170 S CA 2.575 60.781 58.200 0.009 0.000 0.965 170 S CB -0.124 63.077 63.200 0.001 0.000 0.798 170 S HN -0.308 7.916 8.310 0.043 0.112 0.488 171 A N -0.129 122.646 122.820 -0.075 0.000 1.930 171 A HA -0.089 4.085 4.320 -0.243 0.000 0.215 171 A C -0.048 177.285 177.584 -0.418 0.000 1.176 171 A CA 1.959 53.825 52.037 -0.285 0.000 0.632 171 A CB 0.872 19.631 19.000 -0.401 0.000 0.819 171 A HN -0.451 7.565 8.150 -0.024 0.119 0.445 172 Y N -5.356 114.984 120.300 0.067 0.000 2.553 172 Y HA 0.461 5.084 4.550 0.122 0.000 0.369 172 Y C -2.468 173.495 175.900 0.105 0.000 0.964 172 Y CA -3.580 54.592 58.100 0.120 0.000 1.156 172 Y CB -0.409 38.171 38.460 0.200 0.000 1.218 172 Y HN -0.502 7.842 8.280 0.106 0.000 0.630 173 P HA -0.130 4.471 4.420 0.112 -0.113 0.262 173 P C 0.879 178.250 177.300 0.118 0.000 1.182 173 P CA 1.204 64.373 63.100 0.115 0.000 0.761 173 P CB 0.056 31.795 31.700 0.066 0.000 0.795 174 G N 3.806 112.666 108.800 0.100 0.000 2.168 174 G HA2 -0.370 3.627 3.960 0.061 0.000 0.263 174 G HA3 -0.370 3.623 3.960 0.055 0.000 0.263 174 G C 0.121 175.071 174.900 0.082 0.000 0.977 174 G CA 0.705 45.849 45.100 0.073 0.000 0.659 174 G HN 0.500 8.848 8.290 0.096 0.000 0.533 175 Q N -2.554 117.332 119.800 0.143 0.000 2.189 175 Q HA 0.084 4.447 4.340 0.040 0.000 0.223 175 Q C -0.681 175.442 176.000 0.204 0.000 0.828 175 Q CA -0.472 55.412 55.803 0.134 0.000 0.967 175 Q CB 1.430 30.276 28.738 0.181 0.000 1.139 175 Q HN -0.149 8.176 8.270 0.191 0.060 0.497 176 I N 0.210 120.898 120.570 0.198 0.000 2.321 176 I HA 0.067 4.381 4.170 0.240 0.000 0.291 176 I C -0.122 176.072 176.117 0.128 0.000 0.998 176 I CA -2.191 59.223 61.300 0.189 0.000 1.227 176 I CB -0.593 37.513 38.000 0.177 0.000 1.368 176 I HN -0.395 7.920 8.210 0.174 0.000 0.466 177 T N 2.647 117.273 114.554 0.120 0.000 2.910 177 T HA 0.335 4.724 4.350 0.066 0.000 0.279 177 T C 0.680 175.432 174.700 0.086 0.000 0.989 177 T CA -2.011 60.138 62.100 0.082 0.000 0.968 177 T CB 2.165 71.073 68.868 0.068 0.000 1.135 177 T HN -0.377 7.951 8.240 0.146 0.000 0.562 178 S N -2.225 113.511 115.700 0.061 0.000 2.603 178 S HA -0.175 4.337 4.470 0.070 0.000 0.229 178 S C 0.158 174.803 174.600 0.075 0.000 0.972 178 S CA 1.819 60.053 58.200 0.058 0.000 0.935 178 S CB -0.170 63.044 63.200 0.023 0.000 0.769 178 S HN 0.256 8.592 8.310 0.043 0.000 0.536 179 N N 0.796 119.555 118.700 0.097 0.000 2.279 179 N HA 0.148 4.966 4.740 0.130 0.000 0.226 179 N C -1.854 173.782 175.510 0.211 0.000 1.126 179 N CA -0.359 52.784 53.050 0.155 0.000 0.846 179 N CB 0.652 39.259 38.487 0.199 0.000 1.050 179 N HN -0.591 7.773 8.380 0.091 0.071 0.502 180 M N -1.068 118.643 119.600 0.185 0.000 2.550 180 M HA 0.860 5.633 4.480 0.119 -0.222 0.292 180 M C -2.293 174.135 176.300 0.213 0.000 1.221 180 M CA -0.403 54.988 55.300 0.151 0.000 0.873 180 M CB 5.136 37.804 32.600 0.114 0.000 1.727 180 M HN -0.793 7.496 8.290 0.163 0.099 0.459 181 F N -5.420 114.580 119.950 0.083 0.000 2.645 181 F HA 0.615 5.176 4.527 0.058 0.000 0.310 181 F C -2.824 173.033 175.800 0.095 0.000 1.102 181 F CA -1.833 56.211 58.000 0.074 0.000 0.952 181 F CB 2.414 41.453 39.000 0.065 0.000 1.326 181 F HN 0.261 8.441 8.300 -0.200 0.000 0.456 182 c N -0.108 118.649 118.600 0.262 0.000 2.391 182 c HA 1.015 5.835 4.570 0.073 -0.206 0.339 182 c C -1.066 173.206 174.090 0.303 0.000 1.205 182 c CA -1.035 55.399 56.329 0.175 0.000 1.937 182 c CB 2.740 45.329 42.510 0.132 0.000 2.341 182 c HN 0.916 9.340 8.230 0.324 0.000 0.516 183 A N 3.077 126.057 122.820 0.266 0.000 2.476 183 A HA 0.668 5.182 4.320 0.085 -0.144 0.280 183 A C -2.295 175.336 177.584 0.078 0.000 1.081 183 A CA -0.386 51.726 52.037 0.124 0.000 0.753 183 A CB 2.641 21.627 19.000 -0.023 0.000 1.248 183 A HN 0.400 8.748 8.150 0.331 0.000 0.424 184 Y N 2.768 123.101 120.300 0.054 0.000 2.365 184 Y HA 0.045 4.615 4.550 0.034 0.000 0.340 184 Y C 0.979 176.896 175.900 0.029 0.000 1.016 184 Y CA -0.105 58.017 58.100 0.037 0.000 1.196 184 Y CB 0.712 39.192 38.460 0.033 0.000 1.167 184 Y HN 0.308 8.756 8.280 0.279 0.000 0.509 185 L N 4.042 125.334 121.223 0.115 0.000 2.275 185 L HA -0.299 4.071 4.340 0.051 0.000 0.215 185 L C 1.185 178.098 176.870 0.073 0.000 1.119 185 L CA 2.166 57.045 54.840 0.066 0.000 0.790 185 L CB -0.395 41.683 42.059 0.031 0.000 0.919 185 L HN 0.521 8.801 8.230 0.084 0.000 0.443 186 E N -1.838 118.424 120.200 0.103 0.000 2.338 186 E HA -0.163 4.216 4.350 0.048 0.000 0.197 186 E C 0.855 177.490 176.600 0.059 0.000 1.007 186 E CA 0.579 57.021 56.400 0.069 0.000 0.849 186 E CB -0.351 29.390 29.700 0.067 0.000 0.774 186 E HN 0.113 8.526 8.360 0.149 0.037 0.506 187 G N 0.798 109.649 108.800 0.084 0.000 3.081 187 G HA2 -0.340 3.665 3.960 0.075 0.000 0.603 187 G HA3 -0.340 3.644 3.960 0.040 0.000 0.603 187 G C -0.863 174.057 174.900 0.034 0.000 1.106 187 G CA -0.284 44.852 45.100 0.060 0.000 1.001 187 G HN -0.618 7.605 8.290 0.131 0.146 0.445 188 K N 1.256 121.646 120.400 -0.017 0.000 7.012 188 K HA -0.602 3.864 4.320 -0.011 -0.153 0.677 188 K C -1.335 175.342 176.600 0.128 0.000 2.516 188 K CA 0.508 56.793 56.287 -0.004 0.000 1.841 188 K CB -0.066 32.314 32.500 -0.201 0.000 1.900 188 K HN 0.144 8.405 8.250 0.018 0.000 0.293 189 D N 0.156 120.624 120.400 0.114 0.000 2.807 189 D HA 0.261 5.022 4.640 0.200 0.000 0.279 189 D C -1.911 174.458 176.300 0.115 0.000 1.247 189 D CA -0.477 53.610 54.000 0.145 0.000 0.749 189 D CB 4.262 45.131 40.800 0.116 0.000 1.264 189 D HN 0.304 8.717 8.370 0.073 0.000 0.421 190 S N -1.395 114.390 115.700 0.141 0.000 2.681 190 S HA 0.341 4.928 4.470 0.093 -0.060 0.270 190 S C -1.320 173.329 174.600 0.081 0.000 1.209 190 S CA -0.429 57.843 58.200 0.119 0.000 0.988 190 S CB 1.686 64.998 63.200 0.187 0.000 1.006 190 S HN 0.164 8.582 8.310 0.180 0.000 0.558 191 c N -1.699 116.954 118.600 0.088 0.000 3.293 191 c HA 0.253 4.866 4.570 0.070 0.000 0.362 191 c C -1.553 172.618 174.090 0.136 0.000 1.539 191 c CA -0.626 55.755 56.329 0.086 0.000 1.201 191 c CB 2.738 45.283 42.510 0.058 0.000 1.770 191 c HN 0.291 8.876 8.230 0.105 -0.292 0.440 192 Q N 2.029 121.920 119.800 0.153 0.000 2.304 192 Q HA -0.318 4.148 4.340 0.210 0.000 0.301 192 Q C 0.837 177.023 176.000 0.311 0.000 1.063 192 Q CA 2.182 58.117 55.803 0.220 0.000 0.947 192 Q CB 0.498 29.366 28.738 0.216 0.000 1.201 192 Q HN 0.556 8.898 8.270 0.120 0.000 0.389 193 G N 6.540 115.532 108.800 0.318 0.000 2.279 193 G HA2 -0.420 3.729 3.960 0.315 0.000 0.223 193 G HA3 -0.420 3.853 3.960 0.522 0.000 0.223 193 G C 0.715 175.848 174.900 0.388 0.000 1.015 193 G CA 1.187 46.523 45.100 0.395 0.000 0.621 193 G HN 0.797 9.254 8.290 0.278 0.000 0.506 194 D N 1.959 122.529 120.400 0.283 0.000 2.305 194 D HA 0.066 4.856 4.640 0.251 0.000 0.206 194 D C 0.206 176.616 176.300 0.184 0.000 0.974 194 D CA 1.025 55.158 54.000 0.222 0.000 0.871 194 D CB 0.604 41.501 40.800 0.160 0.000 0.947 194 D HN 0.042 8.454 8.370 0.256 0.112 0.516 195 S N -0.352 115.460 115.700 0.188 0.000 2.599 195 S HA -0.599 4.125 4.470 0.174 -0.150 0.303 195 S C 0.974 175.598 174.600 0.041 0.000 1.267 195 S CA 2.573 60.868 58.200 0.158 0.000 1.055 195 S CB 0.101 63.475 63.200 0.289 0.000 0.790 195 S HN -0.456 7.953 8.310 0.219 0.032 0.500 196 G N 4.532 113.334 108.800 0.003 0.000 2.253 196 G HA2 -0.462 3.547 3.960 -0.040 0.000 0.251 196 G HA3 -0.462 3.569 3.960 -0.057 -0.105 0.251 196 G C -0.142 174.793 174.900 0.058 0.000 0.998 196 G CA 0.175 45.265 45.100 -0.017 0.000 0.621 196 G HN 0.772 9.084 8.290 0.038 0.000 0.524 197 G N 0.999 109.859 108.800 0.101 0.000 2.616 197 G HA2 0.348 4.456 3.960 0.125 0.000 0.268 197 G HA3 0.348 4.383 3.960 0.125 0.000 0.268 197 G C -2.607 172.379 174.900 0.142 0.000 1.213 197 G CA -1.956 43.219 45.100 0.125 0.000 0.926 197 G HN -0.272 7.993 8.290 0.108 0.091 0.523 198 P HA 0.302 4.926 4.420 0.146 -0.116 0.281 198 P C -1.560 175.816 177.300 0.126 0.000 1.249 198 P CA -0.730 62.470 63.100 0.167 0.000 0.810 198 P CB 1.443 33.316 31.700 0.288 0.000 1.008 199 V N 2.048 122.019 119.914 0.095 0.000 2.398 199 V HA 0.281 4.567 4.120 0.006 -0.163 0.282 199 V C -1.337 174.781 176.094 0.040 0.000 1.014 199 V CA -0.402 61.918 62.300 0.034 0.000 0.838 199 V CB 1.689 33.515 31.823 0.006 0.000 1.018 199 V HN -0.230 8.021 8.190 0.101 0.000 0.432 200 V N 7.749 127.679 119.914 0.026 0.000 2.435 200 V HA 0.571 4.845 4.120 -0.048 -0.183 0.290 200 V C -1.389 174.694 176.094 -0.018 0.000 1.030 200 V CA -1.222 61.065 62.300 -0.021 0.000 0.881 200 V CB 2.786 34.584 31.823 -0.041 0.000 0.983 200 V HN 0.598 8.817 8.190 0.047 0.000 0.445 201 c N 7.636 126.211 118.600 -0.042 0.000 2.397 201 c HA 0.563 5.115 4.570 -0.030 0.000 0.325 201 c C 0.086 174.149 174.090 -0.045 0.000 1.201 201 c CA -1.104 55.198 56.329 -0.045 0.000 1.377 201 c CB 1.718 44.182 42.510 -0.077 0.000 2.038 201 c HN 0.773 8.970 8.230 -0.055 0.000 0.457 202 S N 5.550 121.232 115.700 -0.030 0.000 3.614 202 S HA -0.330 4.131 4.470 -0.016 0.000 0.360 202 S C 0.377 174.958 174.600 -0.031 0.000 1.023 202 S CA 0.949 59.133 58.200 -0.026 0.000 1.114 202 S CB -1.253 61.927 63.200 -0.033 0.000 0.907 202 S HN 1.104 9.402 8.310 -0.020 0.000 0.470 203 G N -5.320 103.459 108.800 -0.034 0.000 2.155 203 G HA2 -0.365 3.559 3.960 -0.060 0.000 0.257 203 G HA3 -0.365 3.573 3.960 -0.037 0.000 0.257 203 G C -0.819 174.029 174.900 -0.087 0.000 0.983 203 G CA 0.498 45.566 45.100 -0.054 0.000 0.676 203 G HN 0.337 8.612 8.290 -0.024 0.000 0.528 210 Q N 0.937 120.759 119.800 0.037 0.000 2.392 210 Q HA 0.196 4.568 4.340 0.055 0.000 0.219 210 Q C -0.193 175.966 176.000 0.264 0.000 0.895 210 Q CA 0.217 56.059 55.803 0.065 0.000 0.929 210 Q CB 2.637 31.331 28.738 -0.072 0.000 1.077 210 Q HN 0.314 8.598 8.270 0.023 0.000 0.532 211 G N -3.181 105.798 108.800 0.298 0.000 2.695 211 G HA2 0.585 5.057 3.960 0.434 0.000 0.290 211 G HA3 0.585 4.839 3.960 0.489 0.000 0.290 211 G C -3.306 171.724 174.900 0.216 0.000 1.410 211 G CA -0.589 44.739 45.100 0.379 0.000 0.844 211 G HN -0.331 8.072 8.290 0.187 0.000 0.478 212 I N -1.279 119.409 120.570 0.197 0.000 2.498 212 I HA 0.556 5.042 4.170 0.162 -0.219 0.290 212 I C -0.388 175.856 176.117 0.211 0.000 1.032 212 I CA -1.480 59.918 61.300 0.162 0.000 1.073 212 I CB 4.246 42.301 38.000 0.092 0.000 1.251 212 I HN -0.388 7.932 8.210 0.183 0.000 0.426 213 V N 7.220 127.273 119.914 0.233 0.000 2.458 213 V HA -0.218 3.976 4.120 0.123 0.000 0.287 213 V C -1.117 175.002 176.094 0.041 0.000 1.009 213 V CA 2.165 64.558 62.300 0.154 0.000 1.091 213 V CB -1.183 30.751 31.823 0.186 0.000 0.960 213 V HN 0.348 8.660 8.190 0.203 0.000 0.476 214 S N 7.714 123.338 115.700 -0.126 0.000 3.142 214 S HA 0.307 4.995 4.470 0.363 0.000 0.223 214 S C -0.889 173.798 174.600 0.145 0.000 0.939 214 S CA 0.995 59.270 58.200 0.125 0.000 0.826 214 S CB 2.599 65.863 63.200 0.106 0.000 0.823 214 S HN -0.063 7.953 8.310 -0.491 0.000 0.612 215 W N -4.668 116.465 121.300 -0.278 0.000 2.940 215 W HA 0.256 4.799 4.660 -0.194 0.000 0.394 215 W C -2.907 173.434 176.519 -0.297 0.000 1.155 215 W CA -0.761 56.431 57.345 -0.255 0.000 1.165 215 W CB 0.550 29.860 29.460 -0.251 0.000 1.492 215 W HN -0.294 7.493 8.180 -0.655 0.000 0.593 216 G N -3.183 105.634 108.800 0.028 0.000 2.349 216 G HA2 0.065 3.687 3.960 -0.565 0.000 0.294 216 G HA3 0.065 3.934 3.960 -0.152 0.000 0.294 216 G C -2.254 172.770 174.900 0.207 0.000 1.380 216 G CA 0.309 45.329 45.100 -0.134 0.000 0.811 216 G HN -0.061 8.447 8.290 0.364 0.000 0.519 220 c N 2.118 120.753 118.600 0.058 0.000 3.465 220 c HA 0.296 5.039 4.570 0.058 -0.138 0.193 220 c C -1.494 172.626 174.090 0.049 0.000 1.515 220 c CA -0.756 55.605 56.329 0.052 0.000 1.340 220 c CB -1.403 41.132 42.510 0.041 0.000 1.928 220 c HN 0.333 8.593 8.230 0.050 0.000 0.510 221 Q N -1.985 117.846 119.800 0.052 0.000 2.896 221 Q HA 0.133 4.492 4.340 0.032 0.000 0.241 221 Q C -1.539 174.482 176.000 0.035 0.000 0.999 221 Q CA -0.752 55.075 55.803 0.039 0.000 0.912 221 Q CB 1.998 30.761 28.738 0.041 0.000 2.012 221 Q HN -0.130 8.178 8.270 0.062 0.000 0.489 222 K N 4.079 124.493 120.400 0.023 0.000 2.436 222 K HA -0.252 4.216 4.320 0.032 -0.128 0.275 222 K C 0.279 176.877 176.600 -0.004 0.000 0.999 222 K CA 0.706 57.004 56.287 0.018 0.000 0.980 222 K CB 0.055 32.562 32.500 0.013 0.000 0.919 222 K HN 0.252 8.515 8.250 0.020 0.000 0.484 223 N N 2.030 120.725 118.700 -0.009 0.000 2.713 223 N HA -0.484 4.234 4.740 -0.037 0.000 0.251 223 N C -1.586 173.854 175.510 -0.116 0.000 1.117 223 N CA 1.725 54.745 53.050 -0.051 0.000 0.770 223 N CB -0.476 37.975 38.487 -0.060 0.000 1.137 223 N HN 0.785 9.049 8.380 0.012 0.123 0.566 224 K N -2.354 118.006 120.400 -0.067 0.000 2.679 224 K HA 0.550 4.666 4.320 -0.340 0.000 0.188 224 K C -2.368 174.281 176.600 0.081 0.000 1.055 224 K CA -3.607 52.633 56.287 -0.078 0.000 1.006 224 K CB -0.201 32.313 32.500 0.022 0.000 1.317 224 K HN -0.691 7.505 8.250 -0.009 0.049 0.584 225 P HA -0.019 4.468 4.420 0.111 0.000 0.274 225 P C -0.462 176.894 177.300 0.093 0.000 1.256 225 P CA -0.504 62.669 63.100 0.122 0.000 0.795 225 P CB 1.169 32.930 31.700 0.102 0.000 1.038 226 G N -2.137 106.686 108.800 0.039 0.000 2.503 226 G HA2 0.266 4.014 3.960 -0.353 0.000 0.257 226 G HA3 0.266 4.183 3.960 -0.174 -0.061 0.257 226 G C -1.739 172.853 174.900 -0.515 0.000 1.214 226 G CA -0.540 44.407 45.100 -0.254 0.000 0.839 226 G HN -0.360 8.014 8.290 0.140 0.000 0.559 227 V N 2.228 121.475 119.914 -1.111 0.000 2.495 227 V HA 0.619 4.510 4.120 -0.664 -0.170 0.298 227 V C -0.963 174.359 176.094 -1.287 0.000 1.031 227 V CA -0.957 60.660 62.300 -1.138 0.000 0.871 227 V CB 2.064 32.780 31.823 -1.845 0.000 0.988 227 V HN 0.437 7.910 8.190 -1.195 0.000 0.432 228 Y N 5.240 125.121 120.300 -0.699 0.000 2.485 228 Y HA 0.549 4.994 4.550 -0.390 -0.129 0.345 228 Y C 0.266 175.885 175.900 -0.468 0.000 0.998 228 Y CA -2.208 55.495 58.100 -0.662 0.000 1.059 228 Y CB 3.777 41.561 38.460 -1.127 0.000 1.234 228 Y HN 1.095 9.011 8.280 -0.606 0.000 0.461 229 T N 4.866 119.390 114.554 -0.049 0.000 2.851 229 T HA 0.039 4.607 4.350 0.109 -0.153 0.298 229 T C -0.742 174.100 174.700 0.238 0.000 0.977 229 T CA 1.442 63.595 62.100 0.089 0.000 1.126 229 T CB 0.532 69.434 68.868 0.057 0.000 0.916 229 T HN 0.505 8.743 8.240 -0.003 0.000 0.529 230 K N 8.292 128.913 120.400 0.369 0.000 2.183 230 K HA 0.131 4.861 4.320 0.683 0.000 0.272 230 K C 1.030 177.887 176.600 0.429 0.000 1.113 230 K CA -0.657 55.921 56.287 0.486 0.000 0.949 230 K CB -0.241 32.502 32.500 0.405 0.000 1.365 230 K HN 0.239 8.581 8.250 0.329 0.106 0.420 231 V N 6.219 126.361 119.914 0.381 0.000 2.469 231 V HA -0.523 3.885 4.120 0.481 0.000 0.251 231 V C 1.397 177.655 176.094 0.274 0.000 1.064 231 V CA 3.934 66.445 62.300 0.351 0.000 1.066 231 V CB -0.254 31.704 31.823 0.225 0.000 0.667 231 V HN 0.207 8.629 8.190 0.386 0.000 0.461 232 c N -3.588 115.108 118.600 0.161 0.000 2.409 232 c HA -0.209 4.407 4.570 0.076 0.000 0.284 232 c C 1.745 175.857 174.090 0.037 0.000 1.354 232 c CA 1.572 57.947 56.329 0.076 0.000 1.787 232 c CB -2.084 40.439 42.510 0.022 0.000 1.900 232 c HN 0.456 8.762 8.230 0.154 0.017 0.520 233 N N 0.997 119.691 118.700 -0.009 0.000 2.494 233 N HA -0.101 4.540 4.740 -0.165 0.000 0.182 233 N C 0.357 175.620 175.510 -0.411 0.000 1.076 233 N CA 1.303 54.200 53.050 -0.255 0.000 0.908 233 N CB -0.096 38.107 38.487 -0.474 0.000 0.967 233 N HN -0.334 8.056 8.380 0.082 0.039 0.449 234 Y N -4.714 115.654 120.300 0.113 0.000 2.531 234 Y HA 0.166 4.850 4.550 0.224 0.000 0.249 234 Y C 0.028 176.061 175.900 0.222 0.000 1.168 234 Y CA -0.661 57.562 58.100 0.206 0.000 1.226 234 Y CB -0.155 38.454 38.460 0.248 0.000 1.177 234 Y HN -0.200 8.030 8.280 0.213 0.178 0.527 235 V N 0.657 120.707 119.914 0.226 0.000 2.332 235 V HA -0.537 3.678 4.120 0.159 0.000 0.248 235 V C 1.423 177.587 176.094 0.117 0.000 1.055 235 V CA 4.900 67.290 62.300 0.149 0.000 1.038 235 V CB -0.592 31.279 31.823 0.081 0.000 0.651 235 V HN -0.734 7.551 8.190 0.159 0.000 0.450 236 S N -0.253 115.518 115.700 0.118 0.000 2.383 236 S HA -0.292 4.197 4.470 0.032 0.000 0.227 236 S C 1.773 176.446 174.600 0.122 0.000 1.026 236 S CA 2.918 61.168 58.200 0.083 0.000 0.981 236 S CB -0.351 62.895 63.200 0.076 0.000 0.818 236 S HN -0.060 8.320 8.310 0.116 0.000 0.472 237 W N 4.255 125.593 121.300 0.062 0.000 2.355 237 W HA -0.178 4.508 4.660 0.044 0.000 0.309 237 W C 1.551 178.086 176.519 0.026 0.000 1.206 237 W CA 3.020 60.414 57.345 0.081 0.000 1.284 237 W CB -0.067 29.527 29.460 0.223 0.000 1.145 237 W HN -0.408 8.000 8.180 0.381 0.000 0.502 238 I N -0.722 119.855 120.570 0.012 0.000 2.142 238 I HA -0.766 3.014 4.170 -0.650 0.000 0.240 238 I C 1.809 177.699 176.117 -0.379 0.000 1.078 238 I CA 4.564 65.686 61.300 -0.298 0.000 1.343 238 I CB -0.287 37.687 38.000 -0.043 0.000 1.046 238 I HN 0.277 8.679 8.210 0.319 0.000 0.405 239 K N -0.906 119.368 120.400 -0.209 0.000 2.032 239 K HA -0.439 3.733 4.320 -0.248 0.000 0.209 239 K C 2.836 179.289 176.600 -0.245 0.000 1.048 239 K CA 3.833 59.995 56.287 -0.209 0.000 0.927 239 K CB -0.346 32.090 32.500 -0.107 0.000 0.712 239 K HN -0.121 8.071 8.250 -0.097 0.000 0.441 240 Q N -2.208 117.460 119.800 -0.219 0.000 2.079 240 Q HA -0.269 3.978 4.340 -0.154 0.000 0.200 240 Q C 2.620 178.436 176.000 -0.307 0.000 0.974 240 Q CA 3.267 58.950 55.803 -0.201 0.000 0.840 240 Q CB 0.088 28.752 28.738 -0.124 0.000 0.898 240 Q HN 0.178 8.343 8.270 -0.175 0.000 0.430 241 T N 2.656 116.903 114.554 -0.513 0.000 2.708 241 T HA -0.284 3.829 4.350 -0.395 0.000 0.266 241 T C 2.232 176.603 174.700 -0.549 0.000 1.037 241 T CA 4.936 66.689 62.100 -0.578 0.000 1.146 241 T CB -0.161 68.106 68.868 -1.002 0.000 0.865 241 T HN 0.002 7.871 8.240 -0.619 0.000 0.435 242 I N 0.761 120.885 120.570 -0.743 0.000 2.226 242 I HA -0.440 2.939 4.170 -1.317 0.000 0.245 242 I C 1.779 177.662 176.117 -0.389 0.000 1.100 242 I CA 3.744 64.487 61.300 -0.929 0.000 1.374 242 I CB -0.424 36.921 38.000 -1.093 0.000 1.057 242 I HN 0.165 7.937 8.210 -0.729 0.000 0.413 243 A N -1.212 121.439 122.820 -0.283 0.000 2.125 243 A HA -0.167 4.092 4.320 -0.102 0.000 0.219 243 A C 0.828 178.363 177.584 -0.082 0.000 1.156 243 A CA 2.603 54.557 52.037 -0.138 0.000 0.671 243 A CB -0.502 18.428 19.000 -0.117 0.000 0.794 243 A HN -0.013 7.943 8.150 -0.324 0.000 0.459 244 S N -4.540 111.102 115.700 -0.096 0.000 2.554 244 S HA 0.146 4.606 4.470 -0.017 0.000 0.226 244 S C -0.880 173.731 174.600 0.019 0.000 0.980 244 S CA 0.442 58.621 58.200 -0.036 0.000 0.939 244 S CB 1.332 64.504 63.200 -0.048 0.000 0.832 244 S HN -0.442 7.614 8.310 -0.166 0.154 0.486 245 N N 0.000 118.746 118.700 0.076 0.000 1.763 245 N HA 0.000 4.819 4.740 0.131 0.000 0.220 245 N CA 0.000 53.171 53.050 0.201 0.000 0.885 245 N CB 0.000 38.685 38.487 0.331 0.000 1.341 245 N HN 0.000 8.299 8.380 0.042 0.106 0.667