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 1r3b_1_A DATA FIRST_RESID 14 DATA SEQUENCE MGSSHHHHHH SSGLVPRGSA TLGSGNLRQA VMLPEGEDLN EWIAVNTVDF DATA SEQUENCE FNQINMLYGT ITEFCTESTC SVMSAGPRYE YHWADGTNIK KPIKCSAPKY DATA SEQUENCE IDYLMTWVQD QLDDETLFPS KIGVPFPKNF MSVAKTILKR LFRVYAHIYH DATA SEQUENCE QHFDAVMQLQ EEAHLNTSFK HFIFFVQEFN LIDRRELAPL QELIEKLGSK DATA SEQUENCE DR 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 14 M HA 0.000 4.479 4.480 -0.002 0.000 0.227 14 M C 0.000 176.294 176.300 -0.010 0.000 1.140 14 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 14 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 15 G N 1.526 110.318 108.800 -0.013 0.000 3.441 15 G HA2 0.167 4.114 3.960 -0.021 0.000 0.195 15 G HA3 0.167 4.116 3.960 -0.018 0.000 0.195 15 G C -0.837 174.037 174.900 -0.043 0.000 1.633 15 G CA -0.465 44.622 45.100 -0.022 0.000 0.895 15 G HN -0.075 8.210 8.290 -0.009 0.000 0.654 16 S N 0.993 116.662 115.700 -0.052 0.000 2.466 16 S HA 0.190 4.582 4.470 -0.129 0.000 0.313 16 S C -0.782 173.746 174.600 -0.120 0.000 1.078 16 S CA -0.277 57.862 58.200 -0.101 0.000 1.115 16 S CB 0.127 63.276 63.200 -0.084 0.000 1.006 16 S HN -0.206 8.083 8.310 -0.035 0.000 0.487 17 S N 3.773 119.381 115.700 -0.153 0.000 2.617 17 S HA 0.171 4.609 4.470 -0.054 0.000 0.283 17 S C -0.859 173.559 174.600 -0.304 0.000 1.189 17 S CA 0.010 58.137 58.200 -0.121 0.000 1.036 17 S CB 1.300 64.493 63.200 -0.012 0.000 1.014 17 S HN 0.245 8.463 8.310 -0.154 0.000 0.522 18 H N 2.300 121.273 119.070 -0.163 0.000 2.689 18 H HA 0.349 4.651 4.556 -0.423 0.000 0.346 18 H C -1.482 173.676 175.328 -0.282 0.000 1.037 18 H CA -0.414 55.453 56.048 -0.303 0.000 1.234 18 H CB 1.298 30.916 29.762 -0.240 0.000 1.572 18 H HN 0.218 8.505 8.280 0.013 0.000 0.524 19 H N 2.338 121.377 119.070 -0.052 0.000 3.029 19 H HA 0.267 4.751 4.556 -0.119 0.000 0.358 19 H C -1.679 173.651 175.328 0.004 0.000 1.129 19 H CA -0.802 55.208 56.048 -0.063 0.000 1.230 19 H CB 1.342 31.126 29.762 0.037 0.000 1.827 19 H HN 0.542 8.472 8.280 -0.583 0.000 0.530 20 H N 0.220 119.447 119.070 0.262 0.000 3.042 20 H HA 0.465 5.178 4.556 0.261 0.000 0.346 20 H C -2.115 173.325 175.328 0.187 0.000 1.294 20 H CA -0.880 55.300 56.048 0.220 0.000 1.141 20 H CB 2.046 31.908 29.762 0.165 0.000 1.872 20 H HN 0.683 9.210 8.280 0.412 0.000 0.541 21 H N 0.610 119.833 119.070 0.256 0.000 3.240 21 H HA 0.080 4.732 4.556 0.160 0.000 0.329 21 H C -1.439 173.890 175.328 0.002 0.000 1.024 21 H CA -0.246 55.897 56.048 0.158 0.000 1.487 21 H CB 1.459 31.333 29.762 0.187 0.000 1.909 21 H HN 0.276 8.751 8.280 0.324 0.000 0.465 22 H N 4.284 123.372 119.070 0.030 0.000 2.476 22 H HA 0.307 4.772 4.556 -0.152 0.000 0.328 22 H C -0.612 174.745 175.328 0.047 0.000 1.073 22 H CA -0.441 55.573 56.048 -0.057 0.000 1.229 22 H CB 0.709 30.424 29.762 -0.077 0.000 1.432 22 H HN 0.272 8.655 8.280 0.172 0.000 0.477 23 H N 1.670 120.804 119.070 0.107 0.000 3.151 23 H HA 0.097 4.708 4.556 0.091 0.000 0.333 23 H C -1.390 173.961 175.328 0.039 0.000 1.093 23 H CA -0.490 55.608 56.048 0.083 0.000 1.342 23 H CB 0.850 30.667 29.762 0.092 0.000 1.983 23 H HN 0.382 8.419 8.280 -0.405 0.000 0.503 24 S N 5.141 120.948 115.700 0.178 0.000 2.446 24 S HA 0.074 4.635 4.470 0.152 0.000 0.230 24 S C -1.421 173.232 174.600 0.089 0.000 1.051 24 S CA 0.386 58.655 58.200 0.116 0.000 1.113 24 S CB 0.853 64.083 63.200 0.050 0.000 1.184 24 S HN 0.187 8.599 8.310 0.169 0.000 0.435 25 S N 5.211 120.961 115.700 0.084 0.000 2.654 25 S HA 0.274 4.772 4.470 0.046 0.000 0.283 25 S C 0.101 174.722 174.600 0.034 0.000 1.180 25 S CA 0.172 58.402 58.200 0.049 0.000 1.021 25 S CB 0.586 63.808 63.200 0.036 0.000 1.018 25 S HN 0.185 8.559 8.310 0.107 0.000 0.532 26 G N 3.223 112.037 108.800 0.023 0.000 3.715 26 G HA2 -0.112 3.855 3.960 0.012 0.000 0.228 26 G HA3 -0.112 3.858 3.960 0.016 0.000 0.228 26 G C -1.471 173.435 174.900 0.010 0.000 1.825 26 G CA -0.191 44.918 45.100 0.015 0.000 1.134 26 G HN 0.241 8.544 8.290 0.022 0.000 0.556 27 L N 2.008 123.237 121.223 0.009 0.000 2.295 27 L HA 0.350 4.693 4.340 0.005 0.000 0.288 27 L C -0.327 176.544 176.870 0.001 0.000 1.079 27 L CA -0.192 54.652 54.840 0.005 0.000 0.830 27 L CB -0.417 41.645 42.059 0.006 0.000 1.200 27 L HN 0.018 8.254 8.230 0.011 0.000 0.438 28 V N 9.326 129.239 119.914 -0.001 0.000 2.498 28 V HA 0.271 4.388 4.120 -0.005 0.000 0.279 28 V C -1.644 174.446 176.094 -0.007 0.000 1.048 28 V CA -1.715 60.582 62.300 -0.005 0.000 0.967 28 V CB 1.169 32.987 31.823 -0.008 0.000 0.988 28 V HN 0.047 8.237 8.190 -0.001 0.000 0.473 29 P HA 0.244 4.660 4.420 -0.006 0.000 0.274 29 P C -1.602 175.692 177.300 -0.011 0.000 1.231 29 P CA -0.110 62.985 63.100 -0.007 0.000 0.790 29 P CB 0.764 32.461 31.700 -0.006 0.000 0.951 30 R N -1.299 119.195 120.500 -0.011 0.000 2.707 30 R HA 0.147 4.477 4.340 -0.017 0.000 0.272 30 R C -1.049 175.244 176.300 -0.012 0.000 1.011 30 R CA -0.741 55.351 56.100 -0.014 0.000 0.893 30 R CB 1.495 31.787 30.300 -0.014 0.000 1.233 30 R HN 0.001 8.266 8.270 -0.009 0.000 0.464 31 G N 0.907 109.698 108.800 -0.014 0.000 3.181 31 G HA2 -0.140 3.813 3.960 -0.012 0.000 0.230 31 G HA3 -0.140 3.815 3.960 -0.010 0.000 0.230 31 G C -1.345 173.547 174.900 -0.013 0.000 2.154 31 G CA -0.413 44.680 45.100 -0.012 0.000 1.020 31 G HN 0.163 8.442 8.290 -0.018 0.000 0.494 32 S N 0.147 115.836 115.700 -0.019 0.000 2.616 32 S HA 0.382 4.844 4.470 -0.014 0.000 0.277 32 S C -0.329 174.259 174.600 -0.020 0.000 1.234 32 S CA -0.521 57.666 58.200 -0.020 0.000 1.028 32 S CB 0.985 64.166 63.200 -0.032 0.000 0.988 32 S HN -0.479 7.818 8.310 -0.022 0.000 0.522 33 A N 3.707 126.518 122.820 -0.014 0.000 2.264 33 A HA 0.275 4.587 4.320 -0.013 0.000 0.304 33 A C -1.521 176.050 177.584 -0.022 0.000 1.100 33 A CA -0.323 51.707 52.037 -0.011 0.000 0.839 33 A CB 0.862 19.863 19.000 0.001 0.000 1.121 33 A HN 0.363 8.507 8.150 -0.009 0.000 0.496 34 T N 0.627 115.169 114.554 -0.020 0.000 2.881 34 T HA 0.211 4.525 4.350 -0.058 0.000 0.290 34 T C -0.703 173.990 174.700 -0.012 0.000 1.000 34 T CA -0.246 61.833 62.100 -0.034 0.000 0.978 34 T CB 1.051 69.895 68.868 -0.041 0.000 0.997 34 T HN -0.088 8.144 8.240 -0.013 0.000 0.443 35 L N 7.910 129.132 121.223 -0.001 0.000 2.264 35 L HA 0.276 4.629 4.340 0.020 0.000 0.289 35 L C 0.261 177.136 176.870 0.008 0.000 1.044 35 L CA -0.546 54.309 54.840 0.026 0.000 0.807 35 L CB 1.065 43.177 42.059 0.089 0.000 1.192 35 L HN 0.420 8.634 8.230 -0.027 0.000 0.425 36 G N 4.955 113.757 108.800 0.003 0.000 3.064 36 G HA2 0.163 4.118 3.960 -0.009 0.000 0.286 36 G HA3 0.163 4.120 3.960 -0.006 0.000 0.286 36 G C -0.525 174.373 174.900 -0.003 0.000 0.834 36 G CA -0.484 44.613 45.100 -0.004 0.000 1.856 36 G HN 0.432 8.724 8.290 0.004 0.000 0.559 37 S N 4.590 120.289 115.700 -0.002 0.000 2.409 37 S HA 0.115 4.577 4.470 -0.013 0.000 0.308 37 S C 0.151 174.737 174.600 -0.023 0.000 1.080 37 S CA 0.126 58.319 58.200 -0.012 0.000 1.081 37 S CB 0.226 63.421 63.200 -0.008 0.000 1.009 37 S HN -0.386 7.889 8.310 0.002 0.037 0.502 38 G N 2.075 110.863 108.800 -0.020 0.000 2.597 38 G HA2 0.195 4.142 3.960 -0.023 0.000 0.317 38 G HA3 0.195 4.148 3.960 -0.012 0.000 0.317 38 G C -1.504 173.385 174.900 -0.018 0.000 1.230 38 G CA -0.409 44.679 45.100 -0.019 0.000 0.996 38 G HN -0.218 8.063 8.290 -0.016 0.000 0.490 39 N N -3.097 115.596 118.700 -0.011 0.000 2.747 39 N HA -0.363 4.381 4.740 0.008 0.000 0.249 39 N C -0.029 175.477 175.510 -0.006 0.000 1.107 39 N CA 0.465 53.515 53.050 0.000 0.000 0.707 39 N CB -0.766 37.725 38.487 0.007 0.000 1.054 39 N HN 0.293 8.667 8.380 -0.009 0.000 0.555 40 L N -1.784 119.418 121.223 -0.036 0.000 2.291 40 L HA -0.256 4.028 4.340 -0.094 0.000 0.214 40 L C 0.690 177.543 176.870 -0.027 0.000 1.120 40 L CA 2.269 57.058 54.840 -0.086 0.000 0.799 40 L CB 0.273 42.232 42.059 -0.166 0.000 0.925 40 L HN 0.099 8.283 8.230 -0.038 0.023 0.446 41 R N -2.857 117.660 120.500 0.029 0.000 2.091 41 R HA -0.426 3.994 4.340 0.133 0.000 0.238 41 R C 2.779 179.173 176.300 0.157 0.000 1.136 41 R CA 3.407 59.568 56.100 0.101 0.000 0.959 41 R CB -0.705 29.644 30.300 0.082 0.000 0.856 41 R HN 0.150 8.387 8.270 0.013 0.041 0.437 42 Q N -1.083 118.789 119.800 0.119 0.000 2.181 42 Q HA -0.281 4.135 4.340 0.126 0.000 0.205 42 Q C 0.673 176.832 176.000 0.264 0.000 0.980 42 Q CA 2.525 58.415 55.803 0.143 0.000 0.862 42 Q CB -0.378 28.418 28.738 0.095 0.000 0.905 42 Q HN -0.274 8.043 8.270 0.078 0.000 0.429 43 A N -5.212 117.752 122.820 0.240 0.000 2.168 43 A HA -0.085 4.483 4.320 0.413 0.000 0.215 43 A C 0.760 178.680 177.584 0.560 0.000 1.152 43 A CA 1.668 53.892 52.037 0.311 0.000 0.716 43 A CB -0.191 18.832 19.000 0.039 0.000 0.794 43 A HN -0.658 7.439 8.150 0.135 0.135 0.465 44 V N -4.928 115.350 119.914 0.607 0.000 2.725 44 V HA -0.017 4.764 4.120 1.101 0.000 0.247 44 V C -0.358 176.416 176.094 1.133 0.000 1.058 44 V CA 1.530 64.382 62.300 0.919 0.000 1.080 44 V CB 0.690 32.931 31.823 0.697 0.000 0.713 44 V HN -0.455 7.788 8.190 0.413 0.195 0.465 45 M N -2.607 117.399 119.600 0.677 0.000 2.528 45 M HA 0.135 4.929 4.480 0.525 0.000 0.321 45 M C -2.006 173.971 176.300 -0.537 0.000 1.153 45 M CA -1.278 54.173 55.300 0.253 0.000 0.951 45 M CB 3.224 35.896 32.600 0.120 0.000 1.705 45 M HN -0.897 7.696 8.290 0.505 0.000 0.451 46 L N 1.445 121.928 121.223 -1.234 0.000 2.654 46 L HA -0.071 2.822 4.340 -2.410 0.000 0.309 46 L C -1.421 175.129 176.870 -0.533 0.000 1.267 46 L CA 0.318 54.361 54.840 -1.329 0.000 0.866 46 L CB -1.030 40.632 42.059 -0.663 0.000 1.108 46 L HN 0.257 7.970 8.230 -0.863 0.000 0.516 47 P HA 0.218 4.627 4.420 -0.017 0.000 0.283 47 P C -0.042 177.235 177.300 -0.037 0.000 1.412 47 P CA -0.427 62.651 63.100 -0.037 0.000 0.912 47 P CB 0.141 31.902 31.700 0.101 0.000 1.132 48 E N 3.671 123.845 120.200 -0.044 0.000 4.153 48 E HA -0.409 3.923 4.350 -0.030 0.000 0.193 48 E C -0.957 175.614 176.600 -0.049 0.000 1.249 48 E CA 2.285 58.665 56.400 -0.033 0.000 2.292 48 E CB -0.720 28.975 29.700 -0.010 0.000 1.844 48 E HN 0.403 8.735 8.360 -0.048 0.000 0.356 49 G N 0.751 109.527 108.800 -0.041 0.000 3.919 49 G HA2 0.032 3.954 3.960 -0.063 0.000 0.284 49 G HA3 0.032 3.972 3.960 -0.032 0.000 0.284 49 G C -2.150 172.735 174.900 -0.025 0.000 2.841 49 G CA 0.055 45.129 45.100 -0.042 0.000 0.605 49 G HN -0.187 8.047 8.290 -0.026 0.040 0.337 50 E N 1.012 121.195 120.200 -0.028 0.000 2.235 50 E HA 0.156 4.515 4.350 0.016 0.000 0.265 50 E C -0.735 175.878 176.600 0.023 0.000 0.940 50 E CA -1.345 55.064 56.400 0.016 0.000 0.819 50 E CB 2.758 32.503 29.700 0.074 0.000 1.206 50 E HN -0.260 8.059 8.360 -0.069 0.000 0.409 51 D N 1.646 122.065 120.400 0.032 0.000 2.419 51 D HA -0.104 4.546 4.640 0.017 0.000 0.236 51 D C 1.517 177.876 176.300 0.097 0.000 1.165 51 D CA 1.013 55.029 54.000 0.027 0.000 0.882 51 D CB 0.927 41.710 40.800 -0.029 0.000 1.201 51 D HN 0.207 8.592 8.370 0.024 0.000 0.443 52 L N 3.288 124.576 121.223 0.108 0.000 2.005 52 L HA -0.161 4.345 4.340 0.278 0.000 0.207 52 L C 0.923 177.932 176.870 0.232 0.000 1.072 52 L CA 3.050 58.014 54.840 0.207 0.000 0.744 52 L CB 0.193 42.363 42.059 0.185 0.000 0.895 52 L HN 0.202 8.474 8.230 0.069 0.000 0.433 53 N N -2.220 116.561 118.700 0.135 0.000 2.184 53 N HA -0.447 4.520 4.740 0.377 0.000 0.190 53 N C 1.636 177.171 175.510 0.042 0.000 1.011 53 N CA 4.023 57.156 53.050 0.138 0.000 0.867 53 N CB -0.468 37.941 38.487 -0.131 0.000 0.993 53 N HN 0.363 8.792 8.380 0.082 0.000 0.433 54 E N 0.075 120.270 120.200 -0.008 0.000 2.076 54 E HA -0.242 4.064 4.350 -0.075 0.000 0.190 54 E C 1.316 178.034 176.600 0.196 0.000 0.979 54 E CA 2.777 59.192 56.400 0.026 0.000 0.807 54 E CB -0.524 29.190 29.700 0.024 0.000 0.761 54 E HN 0.071 8.405 8.360 -0.002 0.025 0.454 55 W N 0.332 121.668 121.300 0.060 0.000 2.317 55 W HA -0.418 4.302 4.660 0.100 0.000 0.318 55 W C 1.962 178.557 176.519 0.126 0.000 1.227 55 W CA 2.881 60.283 57.345 0.094 0.000 1.269 55 W CB 0.370 29.882 29.460 0.086 0.000 1.155 55 W HN -0.487 7.842 8.180 0.392 0.086 0.484 56 I N -2.294 118.381 120.570 0.175 0.000 2.118 56 I HA -0.678 3.468 4.170 -0.041 0.000 0.241 56 I C 1.931 178.103 176.117 0.092 0.000 1.070 56 I CA 4.054 65.411 61.300 0.095 0.000 1.327 56 I CB -0.485 37.675 38.000 0.266 0.000 1.034 56 I HN 0.087 8.494 8.210 0.329 0.000 0.405 57 A N -1.284 121.659 122.820 0.205 0.000 1.969 57 A HA -0.260 4.074 4.320 0.022 0.000 0.218 57 A C 2.004 179.653 177.584 0.108 0.000 1.169 57 A CA 2.971 55.027 52.037 0.032 0.000 0.635 57 A CB -0.676 18.138 19.000 -0.310 0.000 0.810 57 A HN -0.713 7.586 8.150 0.249 0.000 0.445 58 V N -1.173 118.769 119.914 0.046 0.000 2.307 58 V HA -0.509 3.685 4.120 0.123 0.000 0.245 58 V C 2.082 178.085 176.094 -0.152 0.000 1.045 58 V CA 3.674 65.974 62.300 -0.000 0.000 1.024 58 V CB -0.816 30.990 31.823 -0.029 0.000 0.651 58 V HN 0.384 8.384 8.190 0.037 0.211 0.449 59 N N -0.880 117.597 118.700 -0.373 0.000 2.354 59 N HA -0.248 4.187 4.740 -0.508 0.000 0.179 59 N C 2.046 177.489 175.510 -0.112 0.000 1.021 59 N CA 3.445 56.225 53.050 -0.450 0.000 0.887 59 N CB 0.309 38.305 38.487 -0.818 0.000 0.974 59 N HN 0.171 8.283 8.380 -0.446 0.000 0.437 60 T N 4.094 118.630 114.554 -0.031 0.000 2.674 60 T HA -0.380 3.980 4.350 0.018 0.000 0.265 60 T C 1.796 176.605 174.700 0.183 0.000 1.039 60 T CA 5.397 67.532 62.100 0.058 0.000 1.150 60 T CB -0.072 68.818 68.868 0.037 0.000 0.864 60 T HN -0.250 7.929 8.240 -0.056 0.027 0.427 61 V N 0.363 120.411 119.914 0.223 0.000 2.407 61 V HA -0.468 3.857 4.120 0.342 0.000 0.248 61 V C 2.047 178.228 176.094 0.145 0.000 1.055 61 V CA 4.441 66.887 62.300 0.243 0.000 1.049 61 V CB -0.742 31.200 31.823 0.198 0.000 0.662 61 V HN -0.742 7.592 8.190 0.240 0.000 0.455 62 D N 0.837 121.253 120.400 0.027 0.000 2.084 62 D HA -0.241 4.361 4.640 -0.063 0.000 0.196 62 D C 2.334 178.583 176.300 -0.086 0.000 0.985 62 D CA 4.309 58.256 54.000 -0.088 0.000 0.826 62 D CB -0.037 40.621 40.800 -0.237 0.000 0.978 62 D HN -0.797 7.487 8.370 0.005 0.089 0.456 63 F N 0.447 120.330 119.950 -0.112 0.000 2.046 63 F HA -0.412 4.077 4.527 -0.064 0.000 0.297 63 F C 1.605 177.480 175.800 0.125 0.000 1.123 63 F CA 4.283 62.234 58.000 -0.081 0.000 1.199 63 F CB 0.013 38.803 39.000 -0.349 0.000 0.972 63 F HN 0.509 8.677 8.300 -0.012 0.126 0.474 64 F N -1.130 118.951 119.950 0.218 0.000 2.216 64 F HA -0.454 4.210 4.527 0.228 0.000 0.300 64 F C 1.586 177.457 175.800 0.119 0.000 1.085 64 F CA 2.886 60.989 58.000 0.170 0.000 1.326 64 F CB 0.098 39.161 39.000 0.105 0.000 1.027 64 F HN 0.542 9.107 8.300 0.442 0.000 0.497 65 N N -0.660 117.986 118.700 -0.090 0.000 2.216 65 N HA -0.333 4.154 4.740 -0.422 0.000 0.183 65 N C 2.192 177.605 175.510 -0.161 0.000 1.017 65 N CA 3.284 56.206 53.050 -0.214 0.000 0.861 65 N CB -0.217 38.225 38.487 -0.075 0.000 0.986 65 N HN -0.235 7.999 8.380 0.103 0.208 0.428 66 Q N 0.187 119.945 119.800 -0.070 0.000 2.123 66 Q HA -0.206 4.087 4.340 -0.078 0.000 0.199 66 Q C 2.434 178.428 176.000 -0.010 0.000 0.966 66 Q CA 2.805 58.580 55.803 -0.048 0.000 0.845 66 Q CB -0.037 28.684 28.738 -0.027 0.000 0.907 66 Q HN -0.028 8.142 8.270 -0.028 0.083 0.439 67 I N -3.418 117.173 120.570 0.035 0.000 2.406 67 I HA -0.357 3.942 4.170 0.216 0.000 0.249 67 I C 1.754 177.926 176.117 0.091 0.000 1.122 67 I CA 3.337 64.699 61.300 0.104 0.000 1.431 67 I CB -0.328 37.682 38.000 0.017 0.000 1.087 67 I HN 0.044 8.297 8.210 0.070 0.000 0.424 68 N N -1.151 117.469 118.700 -0.133 0.000 2.331 68 N HA -0.277 4.454 4.740 -0.015 0.000 0.180 68 N C 1.968 177.403 175.510 -0.124 0.000 1.019 68 N CA 3.111 56.028 53.050 -0.223 0.000 0.881 68 N CB 0.319 38.318 38.487 -0.814 0.000 0.972 68 N HN -0.046 8.070 8.380 -0.251 0.114 0.435 69 M N -1.067 118.459 119.600 -0.124 0.000 2.123 69 M HA -0.286 4.134 4.480 -0.100 0.000 0.263 69 M C 1.488 177.759 176.300 -0.048 0.000 1.069 69 M CA 3.174 58.419 55.300 -0.092 0.000 1.133 69 M CB 0.107 32.645 32.600 -0.102 0.000 1.356 69 M HN -0.404 7.681 8.290 -0.143 0.119 0.415 70 L N -4.749 116.456 121.223 -0.030 0.000 2.201 70 L HA -0.128 4.169 4.340 -0.071 0.000 0.212 70 L C 1.930 178.818 176.870 0.031 0.000 1.105 70 L CA 2.647 57.465 54.840 -0.037 0.000 0.775 70 L CB -1.349 40.673 42.059 -0.062 0.000 0.913 70 L HN -0.662 7.555 8.230 -0.022 0.000 0.440 71 Y N 0.402 120.645 120.300 -0.094 0.000 2.373 71 Y HA -0.256 4.194 4.550 -0.167 0.000 0.293 71 Y C 1.675 177.534 175.900 -0.068 0.000 1.129 71 Y CA 0.457 58.495 58.100 -0.104 0.000 1.226 71 Y CB -0.211 38.212 38.460 -0.060 0.000 1.000 71 Y HN -0.448 7.898 8.280 0.157 0.029 0.549 72 G N -4.613 104.187 108.800 0.001 0.000 2.448 72 G HA2 -0.318 3.538 3.960 -0.174 0.000 0.219 72 G HA3 -0.318 3.597 3.960 -0.075 0.000 0.219 72 G C 0.542 175.433 174.900 -0.014 0.000 1.127 72 G CA 1.879 46.931 45.100 -0.079 0.000 0.766 72 G HN -0.412 7.767 8.290 0.022 0.125 0.552 73 T N -4.467 110.105 114.554 0.030 0.000 3.035 73 T HA -0.146 4.247 4.350 0.071 0.000 0.259 73 T C 0.370 175.189 174.700 0.199 0.000 1.078 73 T CA 1.191 63.338 62.100 0.078 0.000 1.132 73 T CB 0.816 69.708 68.868 0.040 0.000 0.900 73 T HN -0.881 7.239 8.240 0.023 0.134 0.480 74 I N 0.353 121.001 120.570 0.129 0.000 3.854 74 I HA 0.136 4.416 4.170 0.183 0.000 0.312 74 I C 1.047 177.335 176.117 0.285 0.000 1.273 74 I CA 0.002 61.356 61.300 0.091 0.000 1.298 74 I CB 1.120 38.939 38.000 -0.303 0.000 1.071 74 I HN -0.688 7.477 8.210 0.092 0.100 0.428 75 T N 3.191 117.873 114.554 0.213 0.000 2.759 75 T HA -0.315 4.335 4.350 0.499 0.000 0.269 75 T C 1.457 176.285 174.700 0.213 0.000 1.042 75 T CA 4.467 66.652 62.100 0.142 0.000 1.140 75 T CB -0.294 68.321 68.868 -0.421 0.000 0.864 75 T HN 0.523 8.743 8.240 0.130 0.098 0.455 76 E N 0.175 120.466 120.200 0.152 0.000 2.267 76 E HA -0.220 4.131 4.350 0.001 0.000 0.197 76 E C 1.191 177.807 176.600 0.027 0.000 0.998 76 E CA 2.240 58.659 56.400 0.031 0.000 0.830 76 E CB -1.495 28.156 29.700 -0.082 0.000 0.751 76 E HN 0.059 8.494 8.360 0.148 0.014 0.491 77 F N -2.340 117.676 119.950 0.110 0.000 2.206 77 F HA -0.118 4.456 4.527 0.079 0.000 0.298 77 F C 0.627 176.546 175.800 0.198 0.000 1.090 77 F CA 1.349 59.434 58.000 0.140 0.000 1.323 77 F CB 0.288 39.368 39.000 0.135 0.000 1.028 77 F HN -0.462 8.057 8.300 0.661 0.178 0.492 78 C N -0.138 119.461 119.300 0.499 0.000 2.601 78 C HA -0.224 4.300 4.460 0.107 0.000 0.405 78 C C -0.414 174.640 174.990 0.106 0.000 1.441 78 C CA 1.065 60.200 59.018 0.195 0.000 1.555 78 C CB -1.060 26.720 27.740 0.066 0.000 2.450 78 C HN -0.428 8.094 8.230 0.653 0.100 0.614 79 T N 7.507 122.102 114.554 0.069 0.000 2.778 79 T HA 0.116 4.489 4.350 0.039 0.000 0.293 79 T C -1.446 173.272 174.700 0.031 0.000 1.144 79 T CA -1.433 60.693 62.100 0.045 0.000 1.010 79 T CB 1.287 70.179 68.868 0.040 0.000 1.325 79 T HN -0.284 7.994 8.240 0.065 0.000 0.515 80 E N -1.172 119.043 120.200 0.025 0.000 8.706 80 E HA -0.242 4.119 4.350 0.019 0.000 0.467 80 E C -0.181 176.431 176.600 0.020 0.000 1.156 80 E CA 0.399 56.812 56.400 0.021 0.000 2.010 80 E CB 0.050 29.762 29.700 0.020 0.000 1.008 80 E HN 0.108 8.482 8.360 0.023 0.000 0.266 81 S N -1.225 114.485 115.700 0.018 0.000 2.469 81 S HA -0.233 4.250 4.470 0.022 0.000 0.238 81 S C 0.326 174.934 174.600 0.012 0.000 0.998 81 S CA 1.593 59.804 58.200 0.017 0.000 0.957 81 S CB 0.242 63.451 63.200 0.014 0.000 0.764 81 S HN 0.321 8.641 8.310 0.016 0.000 0.514 82 T N 3.470 118.029 114.554 0.008 0.000 2.669 82 T HA -0.243 4.105 4.350 -0.003 0.000 0.245 82 T C -0.411 174.286 174.700 -0.005 0.000 1.053 82 T CA 1.632 63.731 62.100 -0.001 0.000 1.387 82 T CB -0.416 68.451 68.868 -0.002 0.000 1.045 82 T HN -0.118 8.073 8.240 0.011 0.055 0.531 83 C N 5.038 124.336 119.300 -0.004 0.000 3.905 83 C HA 0.164 4.800 4.460 -0.012 -0.183 0.330 83 C C -1.130 173.850 174.990 -0.017 0.000 2.776 83 C CA -0.996 58.024 59.018 0.004 0.000 1.565 83 C CB 0.386 28.154 27.740 0.048 0.000 3.175 83 C HN -0.221 8.005 8.230 -0.006 0.000 0.359 84 S N 0.076 115.762 115.700 -0.023 0.000 3.358 84 S HA -0.312 4.146 4.470 -0.020 0.000 0.309 84 S C -0.807 173.776 174.600 -0.028 0.000 1.247 84 S CA 1.267 59.452 58.200 -0.025 0.000 0.961 84 S CB -0.559 62.624 63.200 -0.028 0.000 1.074 84 S HN -0.080 8.218 8.310 -0.020 0.000 0.625 85 V N -4.016 115.881 119.914 -0.028 0.000 3.619 85 V HA -0.484 3.626 4.120 -0.017 0.000 0.515 85 V C -1.136 174.920 176.094 -0.063 0.000 0.682 85 V CA 1.637 63.921 62.300 -0.027 0.000 2.068 85 V CB -0.073 31.744 31.823 -0.011 0.000 2.485 85 V HN -0.368 7.745 8.190 -0.020 0.065 0.512 86 M N 5.449 124.998 119.600 -0.084 0.000 2.644 86 M HA 0.285 4.667 4.480 -0.163 0.000 0.304 86 M C -1.102 175.239 176.300 0.068 0.000 1.215 86 M CA -1.833 53.361 55.300 -0.176 0.000 0.871 86 M CB 4.661 36.903 32.600 -0.596 0.000 1.740 86 M HN 0.137 8.403 8.290 -0.040 0.000 0.464 87 S N 2.366 118.253 115.700 0.311 0.000 2.475 87 S HA 0.100 4.695 4.470 0.210 0.000 0.281 87 S C -1.714 173.116 174.600 0.384 0.000 1.198 87 S CA -0.214 58.194 58.200 0.347 0.000 1.063 87 S CB 0.471 63.825 63.200 0.258 0.000 0.972 87 S HN 0.220 8.839 8.310 0.515 0.000 0.486 88 A N 4.559 127.536 122.820 0.261 0.000 2.565 88 A HA 0.090 4.485 4.320 0.126 0.000 0.298 88 A C -2.520 175.168 177.584 0.173 0.000 1.062 88 A CA 0.194 52.364 52.037 0.222 0.000 0.723 88 A CB 2.679 21.914 19.000 0.391 0.000 1.282 88 A HN -0.323 7.962 8.150 0.224 0.000 0.400 89 G N 0.351 109.215 108.800 0.107 0.000 2.357 89 G HA2 -0.128 3.883 3.960 0.085 0.000 0.643 89 G HA3 -0.128 3.894 3.960 0.103 0.000 0.643 89 G C -2.820 172.091 174.900 0.018 0.000 1.358 89 G CA -0.332 44.818 45.100 0.082 0.000 0.986 89 G HN -0.542 7.779 8.290 0.051 0.000 0.620 90 P HA -0.175 4.199 4.420 -0.075 0.000 0.213 90 P C 0.626 177.836 177.300 -0.149 0.000 1.170 90 P CA 1.147 64.206 63.100 -0.069 0.000 0.898 90 P CB 0.375 32.042 31.700 -0.055 0.000 0.787 91 R N -2.064 118.333 120.500 -0.172 0.000 2.103 91 R HA -0.268 3.784 4.340 -0.480 0.000 0.242 91 R C -0.772 175.020 176.300 -0.847 0.000 1.142 91 R CA 1.404 57.230 56.100 -0.456 0.000 0.960 91 R CB -0.439 29.709 30.300 -0.254 0.000 0.858 91 R HN 0.275 8.495 8.270 -0.083 0.000 0.439 92 Y N -2.973 117.323 120.300 -0.006 0.000 2.442 92 Y HA 0.143 4.678 4.550 -0.024 0.000 0.330 92 Y C -2.023 173.883 175.900 0.011 0.000 1.100 92 Y CA -1.229 56.867 58.100 -0.006 0.000 1.034 92 Y CB 2.751 41.213 38.460 0.002 0.000 1.285 92 Y HN -0.499 7.796 8.280 0.034 0.005 0.440 93 E N -0.423 119.854 120.200 0.129 0.000 2.449 93 E HA 0.203 4.753 4.350 0.145 -0.112 0.278 93 E C -2.564 174.103 176.600 0.112 0.000 0.992 93 E CA -1.512 54.941 56.400 0.089 0.000 0.807 93 E CB 2.581 32.258 29.700 -0.038 0.000 1.350 93 E HN -0.205 8.221 8.360 0.110 0.000 0.462 94 Y N 0.867 121.186 120.300 0.032 0.000 2.383 94 Y HA 0.011 4.637 4.550 0.127 0.000 0.344 94 Y C -1.148 174.744 175.900 -0.013 0.000 0.986 94 Y CA 0.641 58.807 58.100 0.111 0.000 1.175 94 Y CB 0.893 39.560 38.460 0.346 0.000 1.152 94 Y HN -0.116 8.275 8.280 0.186 0.000 0.511 95 H N 3.063 122.125 119.070 -0.014 0.000 2.472 95 H HA 0.248 4.453 4.556 -0.585 0.000 0.338 95 H C -1.235 174.131 175.328 0.062 0.000 1.133 95 H CA -1.613 54.303 56.048 -0.220 0.000 1.216 95 H CB 1.338 30.974 29.762 -0.210 0.000 1.497 95 H HN -0.069 8.053 8.280 -0.264 0.000 0.500 96 W N 1.057 122.416 121.300 0.099 0.000 2.365 96 W HA 0.198 4.969 4.660 0.184 0.000 0.410 96 W C 0.910 177.544 176.519 0.191 0.000 1.634 96 W CA -1.727 55.724 57.345 0.176 0.000 1.761 96 W CB 0.157 29.776 29.460 0.265 0.000 1.485 96 W HN 0.081 7.814 8.180 -0.745 0.000 0.706 97 A N 0.591 123.745 122.820 0.556 0.000 1.282 97 A HA -0.465 4.086 4.320 0.385 0.000 0.226 97 A C 0.004 177.734 177.584 0.243 0.000 0.465 97 A CA 1.680 53.937 52.037 0.367 0.000 1.095 97 A CB -1.539 17.630 19.000 0.283 0.000 1.470 97 A HN 0.377 8.964 8.150 0.728 0.000 0.723 98 D N 1.407 121.949 120.400 0.237 0.000 2.312 98 D HA 0.060 4.795 4.640 0.158 0.000 0.248 98 D C -0.633 175.795 176.300 0.215 0.000 1.086 98 D CA 0.707 54.837 54.000 0.217 0.000 0.948 98 D CB 1.170 42.098 40.800 0.213 0.000 1.162 98 D HN 0.135 8.598 8.370 0.257 0.061 0.446 99 G N -1.447 107.455 108.800 0.171 0.000 4.904 99 G HA2 0.103 4.097 3.960 0.056 0.000 0.265 99 G HA3 0.103 4.115 3.960 0.087 0.000 0.265 99 G C -0.560 174.422 174.900 0.137 0.000 1.227 99 G CA -0.399 44.773 45.100 0.119 0.000 0.926 99 G HN 0.023 8.402 8.290 0.147 0.000 0.581 100 T N 1.541 116.232 114.554 0.230 0.000 3.016 100 T HA 0.026 4.429 4.350 0.087 0.000 0.335 100 T C -0.426 174.356 174.700 0.137 0.000 1.176 100 T CA -0.344 61.836 62.100 0.133 0.000 0.987 100 T CB -0.563 68.347 68.868 0.070 0.000 1.073 100 T HN -0.480 8.008 8.240 0.413 0.000 0.547 101 N N 5.664 124.416 118.700 0.086 0.000 2.522 101 N HA -0.341 4.417 4.740 0.031 0.000 0.281 101 N C -2.123 173.431 175.510 0.075 0.000 1.267 101 N CA 0.810 53.895 53.050 0.058 0.000 0.675 101 N CB -0.189 38.325 38.487 0.045 0.000 0.890 101 N HN 0.247 8.667 8.380 0.067 0.000 0.542 102 I N -0.356 120.199 120.570 -0.024 0.000 2.954 102 I HA 0.101 4.177 4.170 -0.156 0.000 0.312 102 I C -2.305 173.630 176.117 -0.304 0.000 1.391 102 I CA -0.328 60.837 61.300 -0.225 0.000 0.906 102 I CB 0.106 37.830 38.000 -0.460 0.000 2.079 102 I HN 0.078 8.275 8.210 -0.022 0.000 0.618 103 K N 3.314 123.617 120.400 -0.161 0.000 2.834 103 K HA 0.158 4.443 4.320 -0.058 0.000 0.259 103 K C -1.963 174.602 176.600 -0.059 0.000 1.158 103 K CA 0.231 56.474 56.287 -0.073 0.000 1.068 103 K CB 0.157 32.655 32.500 -0.004 0.000 1.324 103 K HN -0.111 8.075 8.250 -0.106 0.000 0.552 104 K N 3.115 123.477 120.400 -0.063 0.000 2.502 104 K HA 0.410 4.670 4.320 -0.101 0.000 0.257 104 K C -2.829 173.735 176.600 -0.060 0.000 0.938 104 K CA -2.989 53.237 56.287 -0.102 0.000 0.819 104 K CB 2.744 35.117 32.500 -0.212 0.000 1.333 104 K HN -0.387 7.831 8.250 -0.053 0.000 0.434 105 P HA 0.048 4.463 4.420 -0.008 0.000 0.282 105 P C -1.743 175.535 177.300 -0.037 0.000 1.262 105 P CA -0.278 62.797 63.100 -0.042 0.000 0.773 105 P CB 0.208 31.879 31.700 -0.048 0.000 0.879 106 I N 1.688 122.271 120.570 0.021 0.000 3.093 106 I HA 0.030 4.228 4.170 0.047 0.000 0.308 106 I C -1.352 174.808 176.117 0.072 0.000 1.303 106 I CA -2.181 59.155 61.300 0.061 0.000 0.975 106 I CB 3.964 42.036 38.000 0.120 0.000 1.286 106 I HN -0.270 7.957 8.210 0.029 0.000 0.459 107 K N 2.992 123.442 120.400 0.084 0.000 2.351 107 K HA -0.155 4.202 4.320 0.062 0.000 0.287 107 K C -1.144 175.522 176.600 0.110 0.000 1.068 107 K CA 1.279 57.614 56.287 0.081 0.000 0.998 107 K CB -0.820 31.726 32.500 0.076 0.000 0.968 107 K HN 0.177 8.481 8.250 0.091 0.000 0.464 108 C N 3.713 123.071 119.300 0.096 0.000 2.817 108 C HA 0.158 4.711 4.460 0.155 0.000 0.385 108 C C -2.195 172.847 174.990 0.087 0.000 1.050 108 C CA -1.041 58.053 59.018 0.128 0.000 1.245 108 C CB 2.190 30.031 27.740 0.169 0.000 1.706 108 C HN 0.254 8.525 8.230 0.068 0.000 0.488 109 S N 3.524 119.277 115.700 0.089 0.000 2.666 109 S HA 0.207 4.715 4.470 0.064 0.000 0.279 109 S C 0.909 175.566 174.600 0.095 0.000 1.149 109 S CA -0.301 57.942 58.200 0.072 0.000 1.020 109 S CB 1.920 65.150 63.200 0.050 0.000 1.127 109 S HN -0.117 8.250 8.310 0.094 0.000 0.537 110 A N 1.394 124.268 122.820 0.089 0.000 1.835 110 A HA 0.078 4.483 4.320 0.141 0.000 0.215 110 A C -1.072 176.508 177.584 -0.008 0.000 1.199 110 A CA 4.402 56.492 52.037 0.089 0.000 0.615 110 A CB -2.019 17.054 19.000 0.122 0.000 0.838 110 A HN 0.838 9.034 8.150 0.076 0.000 0.444 111 P HA -0.146 4.172 4.420 -0.170 0.000 0.220 111 P C 1.433 178.656 177.300 -0.129 0.000 1.144 111 P CA 2.170 65.208 63.100 -0.104 0.000 0.800 111 P CB -0.170 31.488 31.700 -0.069 0.000 0.772 112 K N -1.935 118.419 120.400 -0.077 0.000 2.005 112 K HA -0.130 4.053 4.320 -0.228 0.000 0.206 112 K C 2.165 178.592 176.600 -0.287 0.000 1.044 112 K CA 3.203 59.404 56.287 -0.144 0.000 0.942 112 K CB -0.241 32.277 32.500 0.031 0.000 0.727 112 K HN -0.377 7.719 8.250 -0.014 0.146 0.439 113 Y N 1.116 121.336 120.300 -0.134 0.000 2.224 113 Y HA -0.302 4.399 4.550 0.251 0.000 0.289 113 Y C 2.376 178.225 175.900 -0.085 0.000 1.146 113 Y CA 2.412 60.514 58.100 0.004 0.000 1.182 113 Y CB -0.007 38.490 38.460 0.062 0.000 0.983 113 Y HN -0.156 8.238 8.280 0.189 0.000 0.524 114 I N -0.657 119.841 120.570 -0.121 0.000 2.286 114 I HA -0.523 3.558 4.170 -0.148 0.000 0.248 114 I C 1.173 177.176 176.117 -0.190 0.000 1.115 114 I CA 2.979 64.173 61.300 -0.177 0.000 1.392 114 I CB -0.661 37.190 38.000 -0.248 0.000 1.065 114 I HN 0.662 8.715 8.210 -0.061 0.121 0.418 115 D N -0.424 119.806 120.400 -0.283 0.000 2.116 115 D HA -0.367 4.191 4.640 -0.137 0.000 0.193 115 D C 2.143 178.373 176.300 -0.118 0.000 0.998 115 D CA 4.309 58.160 54.000 -0.248 0.000 0.836 115 D CB -0.232 40.342 40.800 -0.377 0.000 0.951 115 D HN -0.439 7.628 8.370 -0.330 0.105 0.449 116 Y N -2.432 117.913 120.300 0.073 0.000 2.274 116 Y HA -0.270 4.483 4.550 0.338 0.000 0.290 116 Y C 2.539 178.372 175.900 -0.111 0.000 1.145 116 Y CA 2.387 60.586 58.100 0.165 0.000 1.203 116 Y CB -0.638 37.998 38.460 0.293 0.000 0.984 116 Y HN -0.787 7.063 8.280 -0.718 0.000 0.533 117 L N -0.545 120.624 121.223 -0.091 0.000 2.023 117 L HA -0.399 3.782 4.340 -0.265 0.000 0.205 117 L C 1.938 178.765 176.870 -0.073 0.000 1.073 117 L CA 3.543 58.283 54.840 -0.168 0.000 0.745 117 L CB 0.036 42.004 42.059 -0.152 0.000 0.900 117 L HN -0.451 7.572 8.230 -0.132 0.127 0.435 118 M N -2.674 116.959 119.600 0.055 0.000 2.319 118 M HA -0.294 4.449 4.480 0.439 0.000 0.265 118 M C 2.622 179.026 176.300 0.172 0.000 1.068 118 M CA 4.040 59.490 55.300 0.251 0.000 1.118 118 M CB -0.050 32.689 32.600 0.231 0.000 1.395 118 M HN 0.605 8.790 8.290 0.013 0.112 0.435 119 T N 3.101 117.711 114.554 0.093 0.000 2.643 119 T HA -0.412 4.033 4.350 0.159 0.000 0.264 119 T C 1.268 176.023 174.700 0.092 0.000 1.045 119 T CA 5.450 67.632 62.100 0.135 0.000 1.155 119 T CB -0.165 68.852 68.868 0.249 0.000 0.863 119 T HN 0.431 8.580 8.240 0.066 0.131 0.420 120 W N 1.132 122.121 121.300 -0.518 0.000 2.315 120 W HA -0.498 3.808 4.660 -0.589 0.000 0.323 120 W C 1.727 178.008 176.519 -0.397 0.000 1.233 120 W CA 2.844 59.727 57.345 -0.770 0.000 1.267 120 W CB 0.287 28.859 29.460 -1.479 0.000 1.160 120 W HN -0.578 7.423 8.180 -0.299 0.000 0.474 121 V N -1.784 118.001 119.914 -0.215 0.000 2.231 121 V HA -0.808 2.951 4.120 -0.601 0.000 0.248 121 V C 2.230 178.154 176.094 -0.283 0.000 1.054 121 V CA 4.664 66.625 62.300 -0.566 0.000 1.015 121 V CB -0.339 30.674 31.823 -1.350 0.000 0.638 121 V HN -0.759 7.272 8.190 -0.265 0.000 0.444 122 Q N -2.111 117.658 119.800 -0.052 0.000 2.248 122 Q HA -0.439 4.072 4.340 0.286 0.000 0.208 122 Q C 2.684 178.771 176.000 0.145 0.000 0.984 122 Q CA 3.037 58.955 55.803 0.192 0.000 0.875 122 Q CB -0.462 28.438 28.738 0.269 0.000 0.910 122 Q HN 0.370 8.508 8.270 -0.021 0.119 0.433 123 D N -0.376 120.135 120.400 0.185 0.000 2.084 123 D HA -0.218 4.521 4.640 0.166 0.000 0.196 123 D C 2.777 179.216 176.300 0.231 0.000 0.985 123 D CA 3.270 57.404 54.000 0.223 0.000 0.826 123 D CB 0.323 41.303 40.800 0.299 0.000 0.978 123 D HN -0.053 8.201 8.370 0.195 0.234 0.456 124 Q N -0.748 119.239 119.800 0.311 0.000 2.096 124 Q HA -0.275 4.272 4.340 0.345 0.000 0.204 124 Q C 2.839 178.973 176.000 0.223 0.000 0.982 124 Q CA 2.707 58.689 55.803 0.299 0.000 0.850 124 Q CB -0.226 28.629 28.738 0.195 0.000 0.901 124 Q HN -0.268 8.223 8.270 0.368 0.000 0.422 125 L N -2.642 118.647 121.223 0.110 0.000 2.353 125 L HA -0.173 3.914 4.340 -0.422 0.000 0.220 125 L C 1.087 177.773 176.870 -0.307 0.000 1.133 125 L CA 2.205 56.950 54.840 -0.159 0.000 0.798 125 L CB -0.496 41.564 42.059 0.003 0.000 0.922 125 L HN -0.312 7.977 8.230 0.099 0.000 0.445 126 D N -3.354 116.998 120.400 -0.080 0.000 2.479 126 D HA 0.246 4.809 4.640 -0.128 0.000 0.218 126 D C -1.203 175.101 176.300 0.006 0.000 1.177 126 D CA -0.246 53.720 54.000 -0.057 0.000 0.830 126 D CB 1.053 41.855 40.800 0.004 0.000 1.014 126 D HN -0.396 7.799 8.370 0.024 0.190 0.503 127 D N 0.850 121.283 120.400 0.056 0.000 2.479 127 D HA 0.168 4.859 4.640 0.086 0.000 0.247 127 D C -1.798 174.582 176.300 0.133 0.000 1.119 127 D CA -1.200 52.868 54.000 0.113 0.000 0.922 127 D CB 0.916 41.827 40.800 0.185 0.000 1.014 127 D HN -0.432 7.768 8.370 0.057 0.204 0.510 128 E N 5.531 125.784 120.200 0.088 0.000 2.188 128 E HA -0.283 4.151 4.350 0.141 0.000 0.243 128 E C -0.545 176.135 176.600 0.133 0.000 1.269 128 E CA 1.725 58.191 56.400 0.111 0.000 0.979 128 E CB -0.842 28.902 29.700 0.073 0.000 1.076 128 E HN 0.386 8.780 8.360 0.057 0.000 0.452 129 T N 1.465 116.123 114.554 0.174 0.000 3.607 129 T HA 0.021 4.441 4.350 0.117 0.000 0.295 129 T C 0.114 174.876 174.700 0.103 0.000 0.884 129 T CA 1.067 63.248 62.100 0.135 0.000 1.041 129 T CB 1.142 70.087 68.868 0.127 0.000 1.172 129 T HN 0.324 8.700 8.240 0.237 0.007 0.536 130 L N -1.569 119.741 121.223 0.146 0.000 2.607 130 L HA 0.335 4.599 4.340 -0.127 0.000 0.228 130 L C -0.667 176.084 176.870 -0.198 0.000 1.123 130 L CA 0.912 55.758 54.840 0.009 0.000 0.890 130 L CB 0.556 42.689 42.059 0.125 0.000 1.103 130 L HN -0.878 7.499 8.230 0.245 0.000 0.468 131 F N -1.675 118.246 119.950 -0.047 0.000 2.541 131 F HA 0.282 4.803 4.527 -0.011 0.000 0.331 131 F C -1.745 174.207 175.800 0.254 0.000 1.057 131 F CA -2.725 55.312 58.000 0.060 0.000 0.975 131 F CB 2.764 41.809 39.000 0.075 0.000 1.246 131 F HN -0.733 7.775 8.300 0.329 -0.011 0.484 132 P HA 0.162 4.683 4.420 0.169 0.000 0.282 132 P C -1.648 175.737 177.300 0.142 0.000 1.274 132 P CA 0.124 63.321 63.100 0.162 0.000 0.770 132 P CB 0.291 31.924 31.700 -0.111 0.000 0.867 133 S N 3.516 119.285 115.700 0.115 0.000 3.897 133 S HA 0.009 4.516 4.470 0.063 0.000 0.214 133 S C -0.681 173.955 174.600 0.061 0.000 1.102 133 S CA 0.651 58.901 58.200 0.083 0.000 1.116 133 S CB 1.368 64.628 63.200 0.099 0.000 1.288 133 S HN 0.526 8.911 8.310 0.125 0.000 0.458 134 K N 0.525 120.971 120.400 0.076 0.000 2.480 134 K HA 0.257 4.602 4.320 0.042 0.000 0.258 134 K C -1.383 175.258 176.600 0.069 0.000 0.990 134 K CA -0.526 55.797 56.287 0.059 0.000 0.857 134 K CB 2.108 34.641 32.500 0.056 0.000 1.384 134 K HN -0.172 8.142 8.250 0.107 0.000 0.446 135 I N 1.083 121.685 120.570 0.053 0.000 2.496 135 I HA 0.031 4.241 4.170 0.066 0.000 0.285 135 I C 0.332 176.488 176.117 0.065 0.000 1.080 135 I CA 0.257 61.590 61.300 0.056 0.000 1.404 135 I CB 0.078 38.101 38.000 0.038 0.000 1.403 135 I HN 0.195 8.430 8.210 0.041 0.000 0.539 136 G N 7.344 116.192 108.800 0.079 0.000 3.979 136 G HA2 -0.073 3.923 3.960 0.060 0.000 0.113 136 G HA3 -0.073 3.929 3.960 0.071 0.000 0.113 136 G C -1.046 173.903 174.900 0.083 0.000 1.904 136 G CA 0.116 45.260 45.100 0.073 0.000 0.982 136 G HN 0.374 8.720 8.290 0.093 0.000 0.300 137 V N 4.144 124.115 119.914 0.095 0.000 2.655 137 V HA 0.082 4.242 4.120 0.067 0.000 0.300 137 V C -1.927 174.237 176.094 0.118 0.000 1.044 137 V CA -1.501 60.849 62.300 0.082 0.000 1.095 137 V CB 0.469 32.323 31.823 0.051 0.000 0.952 137 V HN -0.130 8.121 8.190 0.101 0.000 0.485 138 P HA 0.156 4.673 4.420 0.161 0.000 0.286 138 P C -0.798 176.595 177.300 0.155 0.000 1.321 138 P CA -0.547 62.632 63.100 0.131 0.000 0.790 138 P CB 0.416 32.169 31.700 0.089 0.000 0.897 139 F N 5.154 125.144 119.950 0.066 0.000 2.075 139 F HA -0.146 4.506 4.527 0.208 0.000 0.297 139 F C -0.290 175.612 175.800 0.170 0.000 1.113 139 F CA 4.653 62.727 58.000 0.123 0.000 1.218 139 F CB -1.973 37.029 39.000 0.003 0.000 0.984 139 F HN 0.204 8.765 8.300 0.436 0.000 0.472 140 P HA 0.077 4.608 4.420 0.186 0.000 0.228 140 P C -1.452 175.912 177.300 0.107 0.000 1.748 140 P CA 0.595 63.801 63.100 0.176 0.000 0.909 140 P CB -1.679 30.103 31.700 0.136 0.000 1.882 141 K N -4.846 115.607 120.400 0.088 0.000 2.387 141 K HA -0.096 4.242 4.320 0.029 0.000 0.166 141 K C -0.349 176.261 176.600 0.017 0.000 2.438 141 K CA 2.147 58.460 56.287 0.044 0.000 1.319 141 K CB 0.759 33.288 32.500 0.049 0.000 2.710 141 K HN 0.086 8.303 8.250 0.110 0.099 0.450 142 N N 0.759 119.473 118.700 0.024 0.000 2.258 142 N HA -0.061 4.675 4.740 -0.006 0.000 0.183 142 N C 1.047 176.528 175.510 -0.048 0.000 1.029 142 N CA 3.004 56.052 53.050 -0.004 0.000 0.857 142 N CB 0.767 39.259 38.487 0.008 0.000 1.008 142 N HN 0.223 8.526 8.380 0.051 0.107 0.433 143 F N 1.669 121.455 119.950 -0.273 0.000 2.250 143 F HA -0.324 3.939 4.527 -0.441 0.000 0.301 143 F C 1.652 177.300 175.800 -0.254 0.000 1.077 143 F CA 2.866 60.609 58.000 -0.427 0.000 1.348 143 F CB 0.094 38.570 39.000 -0.873 0.000 1.040 143 F HN -0.441 7.862 8.300 0.004 0.000 0.509 144 M N -1.009 118.438 119.600 -0.255 0.000 2.098 144 M HA -0.435 3.779 4.480 -0.444 0.000 0.262 144 M C 1.860 177.995 176.300 -0.275 0.000 1.072 144 M CA 4.237 59.362 55.300 -0.291 0.000 1.133 144 M CB -0.250 32.283 32.600 -0.112 0.000 1.344 144 M HN -0.430 7.779 8.290 -0.074 0.037 0.414 145 S N -0.098 115.498 115.700 -0.174 0.000 2.368 145 S HA -0.267 4.127 4.470 -0.127 0.000 0.225 145 S C 2.566 177.060 174.600 -0.176 0.000 1.030 145 S CA 3.579 61.698 58.200 -0.135 0.000 0.999 145 S CB -0.155 63.007 63.200 -0.064 0.000 0.844 145 S HN -0.678 7.556 8.310 -0.127 0.000 0.459 146 V N 1.518 121.309 119.914 -0.205 0.000 2.379 146 V HA -0.333 3.680 4.120 -0.179 0.000 0.245 146 V C 0.792 176.656 176.094 -0.384 0.000 1.044 146 V CA 3.099 65.259 62.300 -0.234 0.000 1.036 146 V CB -0.021 31.713 31.823 -0.148 0.000 0.664 146 V HN 0.029 8.104 8.190 -0.191 0.000 0.453 147 A N -0.774 121.720 122.820 -0.544 0.000 1.969 147 A HA -0.259 3.721 4.320 -0.566 0.000 0.218 147 A C 1.574 178.894 177.584 -0.440 0.000 1.169 147 A CA 2.975 54.629 52.037 -0.640 0.000 0.635 147 A CB -0.602 17.731 19.000 -1.112 0.000 0.810 147 A HN 0.033 7.706 8.150 -0.604 0.114 0.445 148 K N -2.223 117.962 120.400 -0.357 0.000 2.148 148 K HA -0.238 3.928 4.320 -0.256 0.000 0.204 148 K C 2.244 178.705 176.600 -0.232 0.000 1.050 148 K CA 3.133 59.266 56.287 -0.258 0.000 0.942 148 K CB -0.145 32.238 32.500 -0.195 0.000 0.724 148 K HN 0.010 8.026 8.250 -0.361 0.017 0.446 149 T N 0.266 114.665 114.554 -0.259 0.000 2.985 149 T HA -0.190 4.049 4.350 -0.185 0.000 0.266 149 T C 1.815 176.301 174.700 -0.356 0.000 1.076 149 T CA 2.473 64.415 62.100 -0.263 0.000 1.135 149 T CB -0.229 68.482 68.868 -0.261 0.000 0.890 149 T HN -0.704 7.263 8.240 -0.278 0.106 0.480 150 I N 2.077 122.397 120.570 -0.417 0.000 2.235 150 I HA -0.459 3.388 4.170 -0.537 0.000 0.241 150 I C 0.833 176.785 176.117 -0.274 0.000 1.085 150 I CA 3.352 64.390 61.300 -0.436 0.000 1.378 150 I CB -0.054 37.676 38.000 -0.450 0.000 1.076 150 I HN -0.691 7.142 8.210 -0.409 0.131 0.415 151 L N -1.488 119.591 121.223 -0.240 0.000 2.012 151 L HA -0.556 3.692 4.340 -0.154 0.000 0.210 151 L C 1.855 178.692 176.870 -0.054 0.000 1.073 151 L CA 3.686 58.424 54.840 -0.170 0.000 0.748 151 L CB -0.755 41.166 42.059 -0.231 0.000 0.891 151 L HN -0.042 8.016 8.230 -0.285 0.000 0.431 152 K N -2.126 118.223 120.400 -0.085 0.000 2.209 152 K HA -0.339 3.986 4.320 0.008 0.000 0.204 152 K C 2.538 179.174 176.600 0.060 0.000 1.048 152 K CA 3.095 59.373 56.287 -0.016 0.000 0.940 152 K CB -0.205 32.260 32.500 -0.058 0.000 0.729 152 K HN -0.603 7.560 8.250 -0.145 0.000 0.451 153 R N -0.566 119.924 120.500 -0.018 0.000 2.093 153 R HA -0.202 4.155 4.340 0.029 0.000 0.224 153 R C 2.323 178.699 176.300 0.127 0.000 1.101 153 R CA 2.875 58.972 56.100 -0.005 0.000 0.979 153 R CB -0.363 29.828 30.300 -0.181 0.000 0.877 153 R HN -0.754 7.312 8.270 -0.104 0.141 0.441 154 L N -1.266 120.065 121.223 0.180 0.000 1.989 154 L HA -0.413 4.175 4.340 0.413 0.000 0.211 154 L C 1.966 179.054 176.870 0.365 0.000 1.071 154 L CA 3.229 58.293 54.840 0.374 0.000 0.749 154 L CB -0.609 41.752 42.059 0.502 0.000 0.890 154 L HN -0.200 7.995 8.230 0.087 0.087 0.431 155 F N -0.666 119.456 119.950 0.287 0.000 2.113 155 F HA -0.390 4.093 4.527 -0.074 0.000 0.297 155 F C 1.448 177.373 175.800 0.208 0.000 1.103 155 F CA 3.323 61.439 58.000 0.193 0.000 1.248 155 F CB 0.124 39.284 39.000 0.266 0.000 0.999 155 F HN -0.580 8.059 8.300 0.565 0.000 0.475 156 R N -0.607 120.199 120.500 0.510 0.000 2.112 156 R HA -0.435 4.194 4.340 0.482 0.000 0.242 156 R C 2.491 178.952 176.300 0.268 0.000 1.137 156 R CA 3.611 59.939 56.100 0.379 0.000 0.944 156 R CB -0.351 30.104 30.300 0.258 0.000 0.857 156 R HN -0.502 8.052 8.270 0.474 0.000 0.435 157 V N -0.995 119.057 119.914 0.230 0.000 2.407 157 V HA -0.393 3.874 4.120 0.245 0.000 0.248 157 V C 1.065 177.204 176.094 0.075 0.000 1.055 157 V CA 3.047 65.472 62.300 0.207 0.000 1.049 157 V CB -0.238 31.734 31.823 0.248 0.000 0.662 157 V HN -0.267 8.062 8.190 0.231 0.000 0.455 158 Y N 0.628 120.850 120.300 -0.130 0.000 2.097 158 Y HA -0.441 3.887 4.550 -0.369 0.000 0.282 158 Y C 1.973 177.718 175.900 -0.257 0.000 1.152 158 Y CA 3.199 61.113 58.100 -0.310 0.000 1.136 158 Y CB -0.420 37.754 38.460 -0.477 0.000 0.975 158 Y HN -0.625 7.657 8.280 0.179 0.104 0.498 159 A N -2.249 120.515 122.820 -0.093 0.000 2.032 159 A HA -0.454 3.813 4.320 -0.089 0.000 0.221 159 A C 1.232 178.894 177.584 0.131 0.000 1.165 159 A CA 3.258 55.305 52.037 0.018 0.000 0.645 159 A CB -1.434 17.708 19.000 0.236 0.000 0.807 159 A HN 0.178 8.284 8.150 -0.073 0.000 0.453 160 H N -0.669 118.406 119.070 0.008 0.000 2.353 160 H HA -0.336 4.324 4.556 0.173 0.000 0.298 160 H C 2.234 177.592 175.328 0.049 0.000 1.103 160 H CA 4.079 60.163 56.048 0.060 0.000 1.293 160 H CB 0.077 29.874 29.762 0.058 0.000 1.372 160 H HN -0.731 7.496 8.280 0.159 0.148 0.501 161 I N -1.832 118.636 120.570 -0.171 0.000 2.286 161 I HA -0.381 3.601 4.170 -0.313 0.000 0.248 161 I C 1.647 177.639 176.117 -0.208 0.000 1.115 161 I CA 3.115 64.195 61.300 -0.366 0.000 1.392 161 I CB -0.403 37.106 38.000 -0.818 0.000 1.065 161 I HN -0.320 7.540 8.210 -0.409 0.105 0.418 162 Y N -2.060 118.058 120.300 -0.305 0.000 2.109 162 Y HA -0.501 3.967 4.550 -0.137 0.000 0.285 162 Y C 1.886 177.584 175.900 -0.337 0.000 1.131 162 Y CA 4.115 61.985 58.100 -0.383 0.000 1.121 162 Y CB -0.107 37.908 38.460 -0.742 0.000 0.987 162 Y HN -0.840 7.198 8.280 -0.201 0.121 0.495 163 H N -3.961 115.129 119.070 0.035 0.000 2.268 163 H HA -0.242 4.290 4.556 -0.041 0.000 0.304 163 H C 3.046 178.361 175.328 -0.022 0.000 1.064 163 H CA 3.208 59.238 56.048 -0.031 0.000 1.316 163 H CB -0.021 29.692 29.762 -0.081 0.000 1.386 163 H HN -0.085 8.108 8.280 -0.145 0.000 0.496 164 Q N -2.822 117.005 119.800 0.044 0.000 2.181 164 Q HA -0.199 4.068 4.340 -0.122 0.000 0.205 164 Q C -0.290 175.723 176.000 0.022 0.000 0.980 164 Q CA 2.112 57.846 55.803 -0.117 0.000 0.862 164 Q CB 0.726 29.179 28.738 -0.476 0.000 0.905 164 Q HN -0.358 7.923 8.270 0.018 0.000 0.429 165 H N -8.212 110.882 119.070 0.040 0.000 2.733 165 H HA 0.234 4.822 4.556 0.054 0.000 0.230 165 H C -1.946 173.373 175.328 -0.014 0.000 1.402 165 H CA -2.148 53.921 56.048 0.037 0.000 1.464 165 H CB -0.828 28.976 29.762 0.070 0.000 1.877 165 H HN -0.890 7.664 8.280 0.485 0.017 0.593 166 F N 3.844 123.759 119.950 -0.058 0.000 2.113 166 F HA -0.293 4.130 4.527 -0.334 -0.096 0.297 166 F C 0.829 176.504 175.800 -0.207 0.000 1.103 166 F CA 2.446 60.331 58.000 -0.191 0.000 1.248 166 F CB 0.326 39.260 39.000 -0.110 0.000 0.999 166 F HN 0.136 8.599 8.300 0.271 0.000 0.475 167 D N 0.173 120.491 120.400 -0.137 0.000 2.149 167 D HA -0.404 4.021 4.640 -0.358 0.000 0.198 167 D C 1.328 177.437 176.300 -0.318 0.000 0.990 167 D CA 3.640 57.497 54.000 -0.237 0.000 0.839 167 D CB -0.469 40.288 40.800 -0.070 0.000 0.948 167 D HN 0.241 8.646 8.370 0.059 0.000 0.460 168 A N -1.234 121.402 122.820 -0.307 0.000 1.978 168 A HA -0.214 3.700 4.320 -0.676 0.000 0.220 168 A C 2.169 179.244 177.584 -0.848 0.000 1.170 168 A CA 2.858 54.497 52.037 -0.664 0.000 0.636 168 A CB -0.761 17.904 19.000 -0.557 0.000 0.810 168 A HN 0.288 8.333 8.150 -0.150 0.016 0.448 169 V N -2.281 117.251 119.914 -0.637 0.000 2.343 169 V HA -0.464 3.316 4.120 -0.566 0.000 0.247 169 V C 1.935 177.739 176.094 -0.483 0.000 1.051 169 V CA 4.315 66.266 62.300 -0.583 0.000 1.036 169 V CB 0.042 31.496 31.823 -0.616 0.000 0.654 169 V HN -0.421 7.290 8.190 -0.561 0.142 0.451 170 M N -2.177 117.134 119.600 -0.481 0.000 2.156 170 M HA -0.349 3.946 4.480 -0.308 0.000 0.264 170 M C 2.083 178.231 176.300 -0.253 0.000 1.067 170 M CA 3.313 58.406 55.300 -0.345 0.000 1.131 170 M CB 0.239 32.636 32.600 -0.340 0.000 1.368 170 M HN -0.783 7.087 8.290 -0.556 0.086 0.416 171 Q N -1.144 118.493 119.800 -0.271 0.000 2.297 171 Q HA -0.285 4.014 4.340 -0.067 0.000 0.208 171 Q C 1.576 177.524 176.000 -0.085 0.000 0.981 171 Q CA 2.902 58.626 55.803 -0.133 0.000 0.876 171 Q CB -0.195 28.518 28.738 -0.042 0.000 0.921 171 Q HN -0.008 8.054 8.270 -0.346 0.000 0.446 172 L N -1.233 119.857 121.223 -0.221 0.000 2.737 172 L HA 0.004 4.369 4.340 0.041 0.000 0.236 172 L C -0.461 176.362 176.870 -0.078 0.000 1.219 172 L CA -0.454 54.325 54.840 -0.102 0.000 1.021 172 L CB -0.928 41.018 42.059 -0.187 0.000 1.291 172 L HN -0.480 7.376 8.230 -0.370 0.152 0.470 173 Q N -3.272 116.479 119.800 -0.082 0.000 1.907 173 Q HA -0.535 3.763 4.340 -0.071 0.000 0.186 173 Q C 0.301 176.244 176.000 -0.095 0.000 2.907 173 Q CA 2.997 58.757 55.803 -0.071 0.000 0.280 173 Q CB -1.722 26.993 28.738 -0.038 0.000 0.444 173 Q HN 0.095 8.201 8.270 -0.087 0.112 0.393 174 E N 1.670 121.824 120.200 -0.076 0.000 2.265 174 E HA -0.165 4.120 4.350 -0.107 0.000 0.272 174 E C -1.052 175.480 176.600 -0.113 0.000 1.067 174 E CA 0.574 56.925 56.400 -0.082 0.000 0.900 174 E CB 0.280 29.976 29.700 -0.006 0.000 1.017 174 E HN -0.130 8.168 8.360 -0.049 0.031 0.431 175 E N 6.513 126.625 120.200 -0.145 0.000 2.367 175 E HA -0.060 4.147 4.350 -0.239 0.000 0.204 175 E C 0.945 177.467 176.600 -0.131 0.000 0.840 175 E CA 1.267 57.549 56.400 -0.197 0.000 1.051 175 E CB 0.605 30.148 29.700 -0.260 0.000 1.051 175 E HN 0.242 8.519 8.360 -0.138 0.000 0.509 176 A N 0.627 123.388 122.820 -0.097 0.000 2.076 176 A HA -0.345 3.967 4.320 -0.013 0.000 0.220 176 A C 0.826 178.419 177.584 0.016 0.000 1.160 176 A CA 2.656 54.666 52.037 -0.045 0.000 0.653 176 A CB -1.118 17.841 19.000 -0.069 0.000 0.801 176 A HN 0.461 8.540 8.150 -0.117 0.000 0.455 177 H N -1.261 117.784 119.070 -0.042 0.000 2.319 177 H HA -0.274 4.292 4.556 0.016 0.000 0.297 177 H C 1.858 177.204 175.328 0.031 0.000 1.097 177 H CA 2.736 58.779 56.048 -0.010 0.000 1.285 177 H CB -0.440 29.299 29.762 -0.038 0.000 1.368 177 H HN -0.460 7.767 8.280 -0.010 0.047 0.495 178 L N -0.539 120.728 121.223 0.074 0.000 2.017 178 L HA -0.219 4.166 4.340 0.075 0.000 0.208 178 L C 1.985 178.952 176.870 0.161 0.000 1.073 178 L CA 3.186 58.007 54.840 -0.032 0.000 0.745 178 L CB -0.109 41.678 42.059 -0.453 0.000 0.894 178 L HN -0.380 7.850 8.230 -0.001 0.000 0.432 179 N N -2.851 115.936 118.700 0.145 0.000 2.188 179 N HA -0.266 4.668 4.740 0.322 0.000 0.184 179 N C 2.056 177.757 175.510 0.318 0.000 1.018 179 N CA 2.869 56.078 53.050 0.265 0.000 0.858 179 N CB 0.199 38.811 38.487 0.208 0.000 0.989 179 N HN -0.672 7.744 8.380 0.060 0.000 0.426 180 T N 2.386 117.085 114.554 0.241 0.000 2.674 180 T HA -0.423 4.038 4.350 0.185 0.000 0.265 180 T C 2.070 176.946 174.700 0.294 0.000 1.039 180 T CA 5.161 67.393 62.100 0.221 0.000 1.150 180 T CB -0.235 68.735 68.868 0.170 0.000 0.864 180 T HN 0.391 8.631 8.240 0.193 0.115 0.427 181 S N 1.464 117.368 115.700 0.340 0.000 2.400 181 S HA -0.328 4.335 4.470 0.322 0.000 0.232 181 S C 1.563 176.438 174.600 0.459 0.000 1.025 181 S CA 3.764 62.178 58.200 0.357 0.000 0.993 181 S CB -0.081 63.300 63.200 0.301 0.000 0.808 181 S HN 0.053 8.563 8.310 0.334 0.000 0.478 182 F N 1.095 121.223 119.950 0.297 0.000 2.161 182 F HA -0.308 4.341 4.527 0.203 0.000 0.300 182 F C 1.190 177.218 175.800 0.381 0.000 1.089 182 F CA 2.348 60.533 58.000 0.307 0.000 1.282 182 F CB -0.127 39.066 39.000 0.320 0.000 1.010 182 F HN -0.527 8.024 8.300 0.629 0.126 0.485 183 K N -0.716 119.955 120.400 0.451 0.000 2.009 183 K HA -0.466 4.115 4.320 0.434 0.000 0.210 183 K C 1.762 178.638 176.600 0.460 0.000 1.049 183 K CA 3.614 60.123 56.287 0.371 0.000 0.929 183 K CB -0.397 32.189 32.500 0.143 0.000 0.714 183 K HN -0.450 7.952 8.250 0.447 0.117 0.440 184 H N -0.500 118.766 119.070 0.326 0.000 2.421 184 H HA -0.250 4.533 4.556 0.379 0.000 0.298 184 H C 2.645 178.349 175.328 0.628 0.000 1.087 184 H CA 2.615 58.907 56.048 0.407 0.000 1.330 184 H CB 0.276 30.185 29.762 0.246 0.000 1.388 184 H HN -0.720 7.840 8.280 0.467 0.000 0.526 185 F N -0.941 119.208 119.950 0.331 0.000 2.259 185 F HA -0.241 4.160 4.527 -0.210 0.000 0.298 185 F C 1.538 177.327 175.800 -0.019 0.000 1.088 185 F CA 4.008 62.022 58.000 0.023 0.000 1.358 185 F CB 0.236 39.184 39.000 -0.086 0.000 1.040 185 F HN -0.338 8.225 8.300 0.647 0.125 0.505 186 I N -0.480 120.241 120.570 0.252 0.000 2.685 186 I HA -0.392 3.806 4.170 0.047 0.000 0.251 186 I C 1.169 177.419 176.117 0.222 0.000 1.102 186 I CA 3.497 64.889 61.300 0.154 0.000 1.442 186 I CB 0.483 38.554 38.000 0.119 0.000 1.194 186 I HN -0.261 8.021 8.210 0.349 0.137 0.448 187 F N -0.510 119.552 119.950 0.187 0.000 2.154 187 F HA -0.469 4.151 4.527 0.153 0.000 0.301 187 F C 1.767 177.728 175.800 0.270 0.000 1.087 187 F CA 4.470 62.601 58.000 0.219 0.000 1.274 187 F CB -0.598 38.566 39.000 0.273 0.000 1.009 187 F HN 0.809 9.437 8.300 0.729 0.110 0.485 188 F N -0.756 119.395 119.950 0.335 0.000 2.075 188 F HA -0.376 4.397 4.527 0.410 0.000 0.297 188 F C 1.287 177.168 175.800 0.136 0.000 1.113 188 F CA 3.769 61.922 58.000 0.255 0.000 1.218 188 F CB -0.075 39.001 39.000 0.127 0.000 0.984 188 F HN -0.499 8.150 8.300 0.609 0.016 0.472 189 V N -1.131 118.764 119.914 -0.031 0.000 2.515 189 V HA -0.437 3.504 4.120 -0.300 0.000 0.250 189 V C 1.545 177.585 176.094 -0.089 0.000 1.058 189 V CA 3.055 65.257 62.300 -0.162 0.000 1.064 189 V CB 0.057 31.785 31.823 -0.157 0.000 0.675 189 V HN -0.606 7.636 8.190 0.087 0.000 0.461 190 Q N -1.029 118.742 119.800 -0.048 0.000 2.137 190 Q HA -0.266 4.020 4.340 -0.089 0.000 0.198 190 Q C 2.085 178.049 176.000 -0.060 0.000 0.960 190 Q CA 2.849 58.603 55.803 -0.083 0.000 0.847 190 Q CB -0.144 28.497 28.738 -0.162 0.000 0.915 190 Q HN 0.406 8.469 8.270 -0.002 0.206 0.448 191 E N -1.580 118.626 120.200 0.010 0.000 2.085 191 E HA -0.229 4.099 4.350 -0.037 0.000 0.194 191 E C 1.568 178.128 176.600 -0.066 0.000 0.994 191 E CA 2.446 58.858 56.400 0.020 0.000 0.801 191 E CB 0.078 29.884 29.700 0.176 0.000 0.743 191 E HN -0.111 8.172 8.360 0.062 0.114 0.453 192 F N -5.065 114.776 119.950 -0.181 0.000 2.754 192 F HA 0.051 4.503 4.527 -0.125 0.000 0.297 192 F C -0.910 174.805 175.800 -0.141 0.000 1.122 192 F CA 0.981 58.877 58.000 -0.172 0.000 1.400 192 F CB 0.776 39.623 39.000 -0.254 0.000 1.117 192 F HN -0.735 7.665 8.300 0.181 0.008 0.587 193 N N -0.002 118.701 118.700 0.005 0.000 2.726 193 N HA -0.294 4.428 4.740 -0.057 -0.017 0.253 193 N C -1.264 174.225 175.510 -0.034 0.000 1.059 193 N CA 0.983 54.011 53.050 -0.037 0.000 0.701 193 N CB -1.165 37.292 38.487 -0.049 0.000 0.899 193 N HN -0.257 7.948 8.380 -0.004 0.172 0.548 194 L N -1.328 119.860 121.223 -0.059 0.000 3.014 194 L HA 0.294 4.597 4.340 -0.062 0.000 0.263 194 L C -1.596 175.207 176.870 -0.111 0.000 1.207 194 L CA -1.417 53.374 54.840 -0.082 0.000 1.017 194 L CB 0.478 42.471 42.059 -0.109 0.000 1.360 194 L HN 0.206 8.281 8.230 -0.073 0.111 0.560 195 I N -4.397 116.108 120.570 -0.108 0.000 2.882 195 I HA 0.041 4.122 4.170 -0.148 0.000 0.286 195 I C -0.452 175.599 176.117 -0.110 0.000 1.139 195 I CA -0.003 61.223 61.300 -0.124 0.000 1.379 195 I CB 0.014 37.943 38.000 -0.119 0.000 1.410 195 I HN -0.507 7.583 8.210 -0.094 0.063 0.594 196 D N 2.835 123.161 120.400 -0.123 0.000 2.827 196 D HA 0.057 4.644 4.640 -0.088 0.000 0.336 196 D C -1.906 174.327 176.300 -0.112 0.000 1.374 196 D CA -0.096 53.842 54.000 -0.103 0.000 0.794 196 D CB 1.315 42.060 40.800 -0.091 0.000 1.364 196 D HN 0.023 8.303 8.370 -0.149 0.000 0.464 197 R N -2.162 118.286 120.500 -0.087 0.000 3.725 197 R HA -0.259 4.044 4.340 -0.061 0.000 0.547 197 R C 0.850 177.099 176.300 -0.084 0.000 0.243 197 R CA 0.499 56.551 56.100 -0.080 0.000 1.697 197 R CB 0.064 30.311 30.300 -0.089 0.000 1.020 197 R HN 0.186 8.412 8.270 -0.074 0.000 0.560 198 R N 1.271 121.732 120.500 -0.064 0.000 2.316 198 R HA -0.150 4.158 4.340 -0.053 0.000 0.202 198 R C 1.948 178.203 176.300 -0.074 0.000 1.029 198 R CA 1.700 57.767 56.100 -0.055 0.000 1.018 198 R CB -0.353 29.929 30.300 -0.031 0.000 0.888 198 R HN 0.461 8.699 8.270 -0.052 0.000 0.471 199 E N 0.513 120.642 120.200 -0.119 0.000 2.233 199 E HA -0.269 4.015 4.350 -0.110 0.000 0.199 199 E C 1.027 177.479 176.600 -0.247 0.000 1.004 199 E CA 2.504 58.783 56.400 -0.202 0.000 0.819 199 E CB -0.612 28.884 29.700 -0.339 0.000 0.738 199 E HN 0.055 8.273 8.360 -0.116 0.072 0.478 200 L N -3.422 117.685 121.223 -0.193 0.000 2.217 200 L HA -0.202 4.025 4.340 -0.189 0.000 0.211 200 L C 0.967 177.809 176.870 -0.047 0.000 1.107 200 L CA 1.457 56.212 54.840 -0.141 0.000 0.783 200 L CB 0.114 42.100 42.059 -0.121 0.000 0.919 200 L HN -0.725 7.367 8.230 -0.167 0.037 0.442 201 A N -1.098 121.702 122.820 -0.034 0.000 1.859 201 A HA -0.130 4.187 4.320 -0.005 0.000 0.217 201 A C -1.350 176.255 177.584 0.035 0.000 1.198 201 A CA 3.902 55.938 52.037 -0.002 0.000 0.629 201 A CB -2.225 16.772 19.000 -0.005 0.000 0.830 201 A HN 0.265 8.220 8.150 -0.054 0.163 0.446 202 P HA 0.043 4.516 4.420 0.088 0.000 0.231 202 P C -1.466 175.945 177.300 0.186 0.000 1.756 202 P CA 0.621 63.793 63.100 0.121 0.000 0.990 202 P CB -1.504 30.292 31.700 0.160 0.000 1.973 203 L N -0.569 120.736 121.223 0.136 0.000 2.406 203 L HA 0.151 4.645 4.340 0.258 0.000 0.228 203 L C 0.956 177.892 176.870 0.111 0.000 1.081 203 L CA 1.385 56.337 54.840 0.187 0.000 1.089 203 L CB 1.298 43.472 42.059 0.192 0.000 2.191 203 L HN 0.147 8.355 8.230 0.087 0.074 0.520 204 Q N -0.985 118.856 119.800 0.069 0.000 2.291 204 Q HA -0.343 4.033 4.340 0.059 0.000 0.206 204 Q C 2.602 178.620 176.000 0.031 0.000 0.976 204 Q CA 2.995 58.827 55.803 0.048 0.000 0.875 204 Q CB -0.398 28.358 28.738 0.030 0.000 0.927 204 Q HN -0.345 7.961 8.270 0.060 0.000 0.450 205 E N -0.701 119.511 120.200 0.021 0.000 2.033 205 E HA -0.291 4.060 4.350 0.001 0.000 0.189 205 E C 1.679 178.259 176.600 -0.035 0.000 0.979 205 E CA 3.345 59.744 56.400 -0.002 0.000 0.802 205 E CB -0.475 29.225 29.700 -0.000 0.000 0.763 205 E HN -0.118 8.224 8.360 0.032 0.037 0.449 206 L N -3.187 117.992 121.223 -0.073 0.000 2.131 206 L HA -0.118 4.103 4.340 -0.198 0.000 0.210 206 L C 1.984 178.794 176.870 -0.100 0.000 1.092 206 L CA 3.126 57.859 54.840 -0.177 0.000 0.759 206 L CB -0.563 41.267 42.059 -0.381 0.000 0.903 206 L HN -0.315 7.887 8.230 -0.046 0.000 0.435 207 I N -1.000 119.561 120.570 -0.014 0.000 2.286 207 I HA -0.425 3.773 4.170 0.048 0.000 0.245 207 I C 2.060 178.196 176.117 0.033 0.000 1.104 207 I CA 2.728 64.052 61.300 0.040 0.000 1.397 207 I CB -1.490 36.564 38.000 0.090 0.000 1.072 207 I HN -0.286 7.904 8.210 0.006 0.024 0.417 208 E N 0.523 120.735 120.200 0.021 0.000 2.072 208 E HA -0.362 4.006 4.350 0.029 0.000 0.191 208 E C 2.598 179.206 176.600 0.013 0.000 0.985 208 E CA 3.160 59.572 56.400 0.020 0.000 0.801 208 E CB -0.193 29.516 29.700 0.015 0.000 0.750 208 E HN -0.574 7.796 8.360 0.016 0.000 0.452 209 K N -1.851 118.547 120.400 -0.004 0.000 2.026 209 K HA -0.285 4.037 4.320 0.002 0.000 0.208 209 K C 2.753 179.361 176.600 0.013 0.000 1.048 209 K CA 2.488 58.771 56.287 -0.006 0.000 0.929 209 K CB 0.079 32.556 32.500 -0.038 0.000 0.713 209 K HN -0.368 7.871 8.250 -0.017 0.000 0.439 210 L N -2.655 118.578 121.223 0.016 0.000 1.994 210 L HA -0.303 4.082 4.340 0.075 0.000 0.208 210 L C 0.670 177.573 176.870 0.055 0.000 1.071 210 L CA 1.854 56.727 54.840 0.054 0.000 0.745 210 L CB 0.844 42.946 42.059 0.071 0.000 0.892 210 L HN -0.602 7.625 8.230 -0.006 0.000 0.431 211 G N -2.635 106.194 108.800 0.049 0.000 2.447 211 G HA2 -0.213 3.772 3.960 0.041 0.000 0.220 211 G HA3 -0.213 3.773 3.960 0.044 0.000 0.220 211 G C -2.090 172.844 174.900 0.056 0.000 1.261 211 G CA -0.808 44.320 45.100 0.047 0.000 1.000 211 G HN -0.393 7.925 8.290 0.045 0.000 0.515 212 S N -0.268 115.462 115.700 0.050 0.000 2.789 212 S HA 0.094 4.603 4.470 0.064 0.000 0.286 212 S C -0.833 173.794 174.600 0.045 0.000 1.153 212 S CA -0.506 57.727 58.200 0.054 0.000 1.084 212 S CB 0.968 64.201 63.200 0.054 0.000 1.036 212 S HN 0.025 8.361 8.310 0.043 0.000 0.484 213 K N 6.135 126.562 120.400 0.045 0.000 2.449 213 K HA 0.247 4.585 4.320 0.030 0.000 0.257 213 K C -1.167 175.452 176.600 0.032 0.000 0.989 213 K CA 0.124 56.431 56.287 0.034 0.000 0.916 213 K CB 0.434 32.951 32.500 0.029 0.000 1.136 213 K HN 0.276 8.557 8.250 0.052 0.000 0.439 214 D N 2.055 122.472 120.400 0.028 0.000 2.597 214 D HA 0.012 4.667 4.640 0.026 0.000 0.261 214 D C -0.274 176.037 176.300 0.018 0.000 1.023 214 D CA 0.742 54.757 54.000 0.026 0.000 0.927 214 D CB 1.211 42.029 40.800 0.030 0.000 1.168 214 D HN 0.340 8.726 8.370 0.027 0.000 0.491 215 R N 0.000 120.510 120.500 0.017 0.000 2.786 215 R HA 0.000 4.346 4.340 0.010 0.000 0.208 215 R CA 0.000 56.107 56.100 0.012 0.000 0.921 215 R CB 0.000 30.308 30.300 0.013 0.000 0.687 215 R HN 0.000 8.282 8.270 0.019 0.000 0.535