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 3ppb_1_B DATA FIRST_RESID 7 DATA SEQUENCE RTKKQAILET ALQLFVSQGF HGTSTATIAR EAGVATGTLF HHFPSKEQLL DATA SEQUENCE EQLFLGVKQE FADAIQASVS SRGDLKQDAE QLWFAALTWA XANPLKQAFF DATA SEQUENCE QLYSXSPTVE QSVRDQAXHG ILGFIAELIR QGQASGELAE YPIELXQDNC DATA SEQUENCE HGQYLAATRY FVDHPERWQQ AHERSASFAL FWNAXAVR 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.287 176.300 -0.021 0.000 0.893 7 R CA 0.000 56.087 56.100 -0.022 0.000 0.921 7 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 8 T N 0.717 115.255 114.554 -0.027 0.000 2.868 8 T HA 0.307 4.657 4.350 0.001 0.000 0.292 8 T C 1.047 175.718 174.700 -0.047 0.000 1.028 8 T CA 0.356 62.437 62.100 -0.031 0.000 1.059 8 T CB 1.037 69.884 68.868 -0.035 0.000 0.991 8 T HN 0.446 8.686 8.240 -0.000 0.000 0.531 9 K N 1.635 122.009 120.400 -0.043 0.000 2.057 9 K HA -0.096 4.225 4.320 0.001 0.000 0.207 9 K C 2.281 178.801 176.600 -0.133 0.000 1.049 9 K CA 1.329 57.592 56.287 -0.040 0.000 0.931 9 K CB -0.067 32.465 32.500 0.054 0.000 0.714 9 K HN 0.504 8.754 8.250 -0.000 0.000 0.440 10 K N 0.907 121.110 120.400 -0.329 0.000 2.057 10 K HA -0.247 4.073 4.320 0.001 0.000 0.207 10 K C 2.293 178.852 176.600 -0.070 0.000 1.049 10 K CA 1.583 57.647 56.287 -0.372 0.000 0.931 10 K CB 0.070 32.259 32.500 -0.518 0.000 0.714 10 K HN -0.046 8.204 8.250 -0.000 0.000 0.440 11 Q N 0.338 120.095 119.800 -0.071 0.000 2.119 11 Q HA -0.019 4.322 4.340 0.001 0.000 0.201 11 Q C 1.695 177.661 176.000 -0.058 0.000 0.972 11 Q CA 1.780 57.555 55.803 -0.046 0.000 0.847 11 Q CB -0.281 28.431 28.738 -0.043 0.000 0.903 11 Q HN 0.389 8.659 8.270 -0.000 0.000 0.433 12 A N 0.036 122.823 122.820 -0.056 0.000 1.940 12 A HA -0.163 4.158 4.320 0.001 0.000 0.219 12 A C 2.087 179.625 177.584 -0.077 0.000 1.176 12 A CA 1.517 53.518 52.037 -0.060 0.000 0.631 12 A CB -0.711 18.263 19.000 -0.043 0.000 0.814 12 A HN 0.455 8.605 8.150 -0.000 0.000 0.446 13 I N -0.602 119.934 120.570 -0.056 0.000 2.163 13 I HA -0.248 3.922 4.170 0.001 0.000 0.240 13 I C 2.397 178.402 176.117 -0.186 0.000 1.081 13 I CA 1.152 62.404 61.300 -0.080 0.000 1.353 13 I CB -0.369 37.667 38.000 0.061 0.000 1.054 13 I HN 0.268 8.478 8.210 -0.000 0.000 0.407 14 L N 0.262 121.393 121.223 -0.152 0.000 2.046 14 L HA -0.229 4.111 4.340 0.001 0.000 0.208 14 L C 2.510 179.239 176.870 -0.236 0.000 1.077 14 L CA 1.587 56.292 54.840 -0.224 0.000 0.747 14 L CB -0.565 41.421 42.059 -0.120 0.000 0.896 14 L HN 0.242 8.472 8.230 -0.000 0.000 0.432 15 E N -0.762 119.334 120.200 -0.174 0.000 2.106 15 E HA -0.167 4.183 4.350 0.001 0.000 0.192 15 E C 2.115 178.603 176.600 -0.188 0.000 0.984 15 E CA 1.655 57.955 56.400 -0.167 0.000 0.806 15 E CB -0.032 29.597 29.700 -0.118 0.000 0.750 15 E HN 0.444 8.804 8.360 -0.000 0.000 0.458 16 T N 0.740 115.180 114.554 -0.190 0.000 2.777 16 T HA -0.136 4.215 4.350 0.001 0.000 0.266 16 T C 1.987 176.502 174.700 -0.309 0.000 1.040 16 T CA 1.163 63.143 62.100 -0.200 0.000 1.141 16 T CB -0.198 68.571 68.868 -0.166 0.000 0.868 16 T HN 0.230 8.470 8.240 -0.000 0.000 0.444 17 A N 1.374 123.924 122.820 -0.450 0.000 1.902 17 A HA 0.001 4.322 4.320 0.001 0.000 0.217 17 A C 2.239 179.362 177.584 -0.768 0.000 1.181 17 A CA 1.246 52.771 52.037 -0.854 0.000 0.623 17 A CB -0.821 17.622 19.000 -0.928 0.000 0.818 17 A HN 0.402 8.552 8.150 -0.000 0.000 0.443 18 L N -0.127 120.838 121.223 -0.429 0.000 1.989 18 L HA -0.222 4.119 4.340 0.001 0.000 0.211 18 L C 2.597 179.404 176.870 -0.105 0.000 1.071 18 L CA 2.803 57.487 54.840 -0.261 0.000 0.749 18 L CB -1.135 40.745 42.059 -0.299 0.000 0.890 18 L HN 0.386 8.616 8.230 -0.000 0.000 0.431 19 Q N -0.473 119.248 119.800 -0.133 0.000 2.030 19 Q HA -0.169 4.172 4.340 0.001 0.000 0.204 19 Q C 2.395 178.386 176.000 -0.015 0.000 0.986 19 Q CA 2.124 57.890 55.803 -0.061 0.000 0.843 19 Q CB -0.909 27.781 28.738 -0.080 0.000 0.904 19 Q HN 0.730 9.000 8.270 -0.000 0.000 0.420 20 L N -1.002 120.172 121.223 -0.083 0.000 2.072 20 L HA -0.038 4.302 4.340 0.001 0.000 0.205 20 L C 2.326 179.305 176.870 0.182 0.000 1.079 20 L CA 0.993 55.827 54.840 -0.011 0.000 0.752 20 L CB -0.449 41.550 42.059 -0.100 0.000 0.906 20 L HN 0.281 8.511 8.230 -0.000 0.000 0.436 21 F N -0.638 119.383 119.950 0.119 0.000 2.269 21 F HA -0.138 4.390 4.527 0.001 0.000 0.301 21 F C 2.300 178.314 175.800 0.358 0.000 1.082 21 F CA 0.562 58.708 58.000 0.244 0.000 1.360 21 F CB -1.082 38.052 39.000 0.223 0.000 1.041 21 F HN -0.156 8.144 8.300 -0.000 0.000 0.512 22 V N -0.469 119.712 119.914 0.445 0.000 2.379 22 V HA -0.161 3.959 4.120 0.001 0.000 0.243 22 V C 2.316 178.532 176.094 0.204 0.000 1.035 22 V CA 1.785 64.290 62.300 0.341 0.000 1.035 22 V CB -0.731 31.252 31.823 0.267 0.000 0.673 22 V HN 0.408 8.598 8.190 -0.000 0.000 0.457 23 S N -0.492 115.298 115.700 0.150 0.000 2.436 23 S HA -0.113 4.358 4.470 0.001 0.000 0.228 23 S C 1.620 176.280 174.600 0.101 0.000 1.014 23 S CA 0.872 59.129 58.200 0.096 0.000 0.950 23 S CB -0.117 63.119 63.200 0.059 0.000 0.784 23 S HN 0.684 8.994 8.310 -0.000 0.000 0.504 24 Q N 0.418 120.301 119.800 0.139 0.000 2.164 24 Q HA 0.428 4.769 4.340 0.001 0.000 0.226 24 Q C 0.639 176.738 176.000 0.165 0.000 0.813 24 Q CA 0.095 55.974 55.803 0.127 0.000 0.978 24 Q CB 1.409 30.211 28.738 0.107 0.000 1.149 24 Q HN 0.648 8.918 8.270 -0.000 0.000 0.489 25 G N 0.936 109.880 108.800 0.240 0.000 2.795 25 G HA2 -0.326 3.634 3.960 0.001 0.000 0.664 25 G HA3 -0.326 3.634 3.960 0.001 0.000 0.664 25 G C -0.235 174.850 174.900 0.309 0.000 1.381 25 G CA -0.175 45.087 45.100 0.271 0.000 0.853 25 G HN 0.206 8.496 8.290 -0.000 0.000 0.545 26 F N 0.200 120.167 119.950 0.027 0.000 2.098 26 F HA 0.065 4.593 4.527 0.001 0.000 0.294 26 F C 2.599 178.278 175.800 -0.202 0.000 1.107 26 F CA 2.530 60.319 58.000 -0.352 0.000 1.234 26 F CB -0.097 38.546 39.000 -0.595 0.000 1.002 26 F HN 0.538 8.838 8.300 -0.000 0.000 0.472 27 H N -0.741 118.325 119.070 -0.006 0.000 2.529 27 H HA 0.146 4.702 4.556 0.001 0.000 0.277 27 H C 2.306 177.608 175.328 -0.044 0.000 0.999 27 H CA 0.934 56.931 56.048 -0.084 0.000 1.256 27 H CB -0.712 29.086 29.762 0.059 0.000 1.402 27 H HN 0.452 8.732 8.280 -0.000 0.000 0.566 28 G N 0.320 109.188 108.800 0.112 0.000 2.813 28 G HA2 -0.066 3.894 3.960 0.001 0.000 0.209 28 G HA3 -0.066 3.894 3.960 0.001 0.000 0.209 28 G C 0.330 175.271 174.900 0.069 0.000 1.150 28 G CA 0.124 45.278 45.100 0.090 0.000 0.785 28 G HN 0.158 8.448 8.290 -0.000 0.000 0.535 29 T N 0.801 115.390 114.554 0.057 0.000 2.779 29 T HA 0.506 4.857 4.350 0.001 0.000 0.280 29 T C 0.175 174.882 174.700 0.011 0.000 0.987 29 T CA -0.419 61.722 62.100 0.069 0.000 0.966 29 T CB 1.706 70.696 68.868 0.203 0.000 0.933 29 T HN 0.228 8.468 8.240 -0.000 0.000 0.442 30 S N 1.530 117.239 115.700 0.014 0.000 2.654 30 S HA 0.298 4.768 4.470 0.001 0.000 0.283 30 S C 1.684 176.291 174.600 0.010 0.000 1.180 30 S CA -0.264 57.943 58.200 0.013 0.000 1.021 30 S CB 1.096 64.313 63.200 0.028 0.000 1.018 30 S HN 0.770 9.080 8.310 -0.000 0.000 0.532 31 T N -0.339 114.235 114.554 0.033 0.000 2.833 31 T HA -0.048 4.303 4.350 0.001 0.000 0.269 31 T C 1.950 176.641 174.700 -0.016 0.000 1.054 31 T CA 1.016 63.111 62.100 -0.008 0.000 1.135 31 T CB -0.926 67.957 68.868 0.026 0.000 0.869 31 T HN 0.884 9.124 8.240 -0.000 0.000 0.466 32 A N 1.934 124.779 122.820 0.042 0.000 1.877 32 A HA -0.048 4.272 4.320 0.001 0.000 0.216 32 A C 2.655 180.241 177.584 0.004 0.000 1.186 32 A CA 2.117 54.178 52.037 0.038 0.000 0.620 32 A CB -1.534 17.500 19.000 0.056 0.000 0.822 32 A HN 0.532 8.682 8.150 -0.000 0.000 0.443 33 T N 0.624 115.176 114.554 -0.003 0.000 2.684 33 T HA -0.148 4.202 4.350 0.001 0.000 0.267 33 T C 1.802 176.474 174.700 -0.048 0.000 1.036 33 T CA 1.653 63.743 62.100 -0.018 0.000 1.148 33 T CB -0.510 68.352 68.868 -0.011 0.000 0.863 33 T HN 0.436 8.676 8.240 -0.000 0.000 0.436 34 I N 1.486 122.011 120.570 -0.076 0.000 2.127 34 I HA -0.224 3.947 4.170 0.001 0.000 0.241 34 I C 3.006 179.063 176.117 -0.099 0.000 1.075 34 I CA 1.357 62.581 61.300 -0.127 0.000 1.334 34 I CB -0.647 37.241 38.000 -0.187 0.000 1.040 34 I HN 0.198 8.408 8.210 -0.000 0.000 0.405 35 A N 0.818 123.590 122.820 -0.079 0.000 1.908 35 A HA -0.289 4.032 4.320 0.001 0.000 0.218 35 A C 2.335 179.902 177.584 -0.029 0.000 1.181 35 A CA 2.286 54.293 52.037 -0.049 0.000 0.627 35 A CB -0.604 18.375 19.000 -0.035 0.000 0.818 35 A HN 0.344 8.494 8.150 -0.000 0.000 0.445 36 R N 0.202 120.688 120.500 -0.024 0.000 2.070 36 R HA -0.102 4.238 4.340 0.001 0.000 0.233 36 R C 1.898 178.183 176.300 -0.025 0.000 1.137 36 R CA 2.075 58.166 56.100 -0.016 0.000 0.945 36 R CB -0.582 29.713 30.300 -0.009 0.000 0.845 36 R HN 0.532 8.802 8.270 -0.000 0.000 0.430 37 E N 0.064 120.241 120.200 -0.039 0.000 2.150 37 E HA -0.092 4.258 4.350 0.001 0.000 0.193 37 E C 1.700 178.269 176.600 -0.052 0.000 0.985 37 E CA 1.281 57.654 56.400 -0.046 0.000 0.814 37 E CB -0.199 29.465 29.700 -0.060 0.000 0.752 37 E HN 0.488 8.848 8.360 -0.000 0.000 0.466 38 A N 0.265 123.051 122.820 -0.058 0.000 2.167 38 A HA 0.191 4.511 4.320 0.001 0.000 0.214 38 A C 1.713 179.278 177.584 -0.031 0.000 1.151 38 A CA 1.082 53.087 52.037 -0.053 0.000 0.735 38 A CB -0.262 18.702 19.000 -0.059 0.000 0.802 38 A HN 0.283 8.433 8.150 -0.000 0.000 0.467 39 G N -1.036 107.750 108.800 -0.023 0.000 2.160 39 G HA2 -0.074 3.886 3.960 0.001 0.000 0.244 39 G HA3 -0.074 3.886 3.960 0.001 0.000 0.244 39 G C 0.215 175.115 174.900 -0.000 0.000 1.022 39 G CA 0.642 45.736 45.100 -0.011 0.000 0.741 39 G HN 1.775 10.065 8.290 -0.000 0.000 0.508 40 V N -3.209 116.708 119.914 0.005 0.000 2.960 40 V HA 0.981 5.102 4.120 0.001 0.000 0.315 40 V C 0.584 176.693 176.094 0.025 0.000 1.087 40 V CA -0.718 61.595 62.300 0.022 0.000 0.982 40 V CB 1.697 33.545 31.823 0.043 0.000 1.039 40 V HN 1.753 9.943 8.190 -0.000 0.000 0.437 41 A N 1.971 124.812 122.820 0.036 0.000 2.407 41 A HA 0.493 4.813 4.320 0.001 0.000 0.248 41 A C 1.520 179.141 177.584 0.061 0.000 1.082 41 A CA 0.371 52.435 52.037 0.044 0.000 0.785 41 A CB 0.332 19.358 19.000 0.043 0.000 1.020 41 A HN 1.686 9.836 8.150 -0.000 0.000 0.489 42 T N 0.465 115.069 114.554 0.083 0.000 2.778 42 T HA -0.150 4.201 4.350 0.001 0.000 0.269 42 T C 1.834 176.669 174.700 0.225 0.000 1.050 42 T CA 1.776 63.954 62.100 0.130 0.000 1.137 42 T CB -0.777 68.219 68.868 0.213 0.000 0.860 42 T HN 0.960 9.200 8.240 -0.000 0.000 0.468 43 G N 1.395 110.313 108.800 0.197 0.000 2.440 43 G HA2 -0.189 3.771 3.960 0.001 0.000 0.218 43 G HA3 -0.189 3.771 3.960 0.001 0.000 0.218 43 G C 1.712 176.712 174.900 0.165 0.000 1.154 43 G CA 1.371 46.591 45.100 0.199 0.000 0.767 43 G HN 0.546 8.836 8.290 -0.000 0.000 0.552 44 T N 0.912 115.529 114.554 0.105 0.000 2.821 44 T HA -0.065 4.285 4.350 0.001 0.000 0.267 44 T C 2.280 177.084 174.700 0.173 0.000 1.046 44 T CA 1.005 63.167 62.100 0.103 0.000 1.139 44 T CB -0.160 68.769 68.868 0.102 0.000 0.871 44 T HN 0.182 8.422 8.240 -0.000 0.000 0.454 45 L N -0.103 121.177 121.223 0.094 0.000 2.017 45 L HA -0.055 4.285 4.340 0.001 0.000 0.208 45 L C 1.965 178.822 176.870 -0.022 0.000 1.073 45 L CA 1.656 56.508 54.840 0.019 0.000 0.745 45 L CB -0.317 41.600 42.059 -0.238 0.000 0.894 45 L HN 0.157 8.387 8.230 -0.000 0.000 0.432 46 F N -1.149 118.904 119.950 0.172 0.000 2.407 46 F HA -0.126 4.401 4.527 0.001 0.000 0.299 46 F C 2.409 178.256 175.800 0.079 0.000 1.097 46 F CA 1.273 59.355 58.000 0.136 0.000 1.422 46 F CB -0.700 38.359 39.000 0.099 0.000 1.067 46 F HN 0.296 8.596 8.300 -0.000 0.000 0.539 47 H N -0.799 118.309 119.070 0.064 0.000 2.293 47 H HA -0.151 4.406 4.556 0.001 0.000 0.300 47 H C 2.076 177.264 175.328 -0.233 0.000 1.082 47 H CA 2.497 58.474 56.048 -0.119 0.000 1.308 47 H CB -0.438 29.166 29.762 -0.263 0.000 1.375 47 H HN 0.313 8.593 8.280 -0.000 0.000 0.495 48 H N -1.836 117.070 119.070 -0.273 0.000 2.428 48 H HA 0.088 4.644 4.556 0.001 0.000 0.296 48 H C -0.225 174.538 175.328 -0.942 0.000 1.062 48 H CA 1.049 56.675 56.048 -0.704 0.000 1.350 48 H CB 0.257 29.564 29.762 -0.759 0.000 1.403 48 H HN 0.219 8.499 8.280 -0.000 0.000 0.533 49 F N -0.922 119.086 119.950 0.097 0.000 2.771 49 F HA 0.281 4.808 4.527 0.000 0.000 0.365 49 F C -2.082 173.814 175.800 0.161 0.000 1.169 49 F CA -2.628 55.427 58.000 0.092 0.000 1.093 49 F CB 1.838 40.876 39.000 0.064 0.000 1.363 49 F HN -0.162 8.138 8.300 -0.000 0.000 0.496 50 P HA -0.091 4.329 4.420 -0.000 0.000 0.221 50 P C 0.100 177.660 177.300 0.433 0.000 1.145 50 P CA 1.212 64.511 63.100 0.331 0.000 0.795 50 P CB 0.282 32.088 31.700 0.177 0.000 0.775 51 S N -3.258 112.672 115.700 0.384 0.000 2.618 51 S HA 0.405 4.876 4.470 0.001 0.000 0.277 51 S C 0.663 175.457 174.600 0.325 0.000 1.138 51 S CA -0.890 57.530 58.200 0.366 0.000 0.844 51 S CB 1.909 65.260 63.200 0.252 0.000 1.127 51 S HN -0.235 8.075 8.310 -0.000 0.000 0.474 52 K N 0.204 120.784 120.400 0.300 0.000 2.148 52 K HA -0.051 4.270 4.320 0.001 0.000 0.204 52 K C 1.383 178.237 176.600 0.423 0.000 1.050 52 K CA 1.493 57.941 56.287 0.269 0.000 0.942 52 K CB -0.238 32.316 32.500 0.089 0.000 0.724 52 K HN 0.659 8.909 8.250 -0.000 0.000 0.446 53 E N 0.724 121.163 120.200 0.397 0.000 2.058 53 E HA -0.200 4.150 4.350 0.001 0.000 0.194 53 E C 1.994 178.678 176.600 0.140 0.000 0.997 53 E CA 1.440 57.980 56.400 0.234 0.000 0.801 53 E CB -0.010 29.790 29.700 0.168 0.000 0.746 53 E HN 0.306 8.666 8.360 -0.000 0.000 0.450 54 Q N -0.393 119.521 119.800 0.191 0.000 2.124 54 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 54 Q C 2.129 178.258 176.000 0.214 0.000 0.977 54 Q CA 0.916 56.842 55.803 0.205 0.000 0.850 54 Q CB -0.131 28.758 28.738 0.252 0.000 0.901 54 Q HN 0.196 8.466 8.270 -0.000 0.000 0.429 55 L N 0.538 121.850 121.223 0.147 0.000 2.017 55 L HA -0.163 4.177 4.340 0.001 0.000 0.208 55 L C 2.016 178.892 176.870 0.011 0.000 1.073 55 L CA 1.491 56.206 54.840 -0.208 0.000 0.745 55 L CB -0.734 41.131 42.059 -0.324 0.000 0.894 55 L HN 0.249 8.479 8.230 -0.000 0.000 0.432 56 L N -0.264 121.079 121.223 0.200 0.000 2.046 56 L HA -0.191 4.150 4.340 0.001 0.000 0.208 56 L C 2.353 179.292 176.870 0.116 0.000 1.077 56 L CA 1.820 56.752 54.840 0.154 0.000 0.747 56 L CB -0.735 41.177 42.059 -0.245 0.000 0.896 56 L HN 0.424 8.654 8.230 -0.000 0.000 0.432 57 E N -1.087 119.158 120.200 0.075 0.000 2.072 57 E HA -0.219 4.132 4.350 0.001 0.000 0.191 57 E C 2.142 178.872 176.600 0.217 0.000 0.985 57 E CA 1.140 57.613 56.400 0.122 0.000 0.801 57 E CB -0.106 29.640 29.700 0.077 0.000 0.750 57 E HN 0.538 8.898 8.360 -0.000 0.000 0.452 58 Q N 0.353 120.264 119.800 0.185 0.000 2.119 58 Q HA -0.125 4.216 4.340 0.001 0.000 0.201 58 Q C 2.339 178.423 176.000 0.140 0.000 0.972 58 Q CA 0.725 56.646 55.803 0.196 0.000 0.847 58 Q CB -0.353 28.574 28.738 0.317 0.000 0.903 58 Q HN 0.232 8.502 8.270 -0.000 0.000 0.433 59 L N 0.149 121.419 121.223 0.079 0.000 2.017 59 L HA -0.138 4.202 4.340 0.001 0.000 0.208 59 L C 2.173 179.086 176.870 0.073 0.000 1.073 59 L CA 1.571 56.402 54.840 -0.016 0.000 0.745 59 L CB -0.908 41.099 42.059 -0.086 0.000 0.894 59 L HN 0.119 8.349 8.230 -0.000 0.000 0.432 60 F N -0.118 119.933 119.950 0.168 0.000 2.065 60 F HA -0.276 4.251 4.527 0.001 0.000 0.298 60 F C 2.116 178.067 175.800 0.252 0.000 1.112 60 F CA 2.177 60.401 58.000 0.372 0.000 1.212 60 F CB -0.430 38.736 39.000 0.277 0.000 0.975 60 F HN 0.069 8.369 8.300 -0.000 0.000 0.476 61 L N -0.310 121.050 121.223 0.229 0.000 2.093 61 L HA -0.109 4.232 4.340 0.001 0.000 0.208 61 L C 2.793 179.687 176.870 0.040 0.000 1.085 61 L CA 1.145 56.039 54.840 0.091 0.000 0.755 61 L CB -1.568 40.588 42.059 0.161 0.000 0.904 61 L HN 0.360 8.590 8.230 -0.000 0.000 0.435 62 G N -0.158 108.676 108.800 0.056 0.000 2.433 62 G HA2 -0.193 3.768 3.960 0.001 0.000 0.216 62 G HA3 -0.193 3.768 3.960 0.001 0.000 0.216 62 G C 1.571 176.483 174.900 0.019 0.000 1.186 62 G CA 0.986 46.105 45.100 0.032 0.000 0.779 62 G HN 0.185 8.475 8.290 -0.000 0.000 0.543 63 V N 0.934 120.843 119.914 -0.009 0.000 2.358 63 V HA -0.122 3.999 4.120 0.001 0.000 0.246 63 V C 2.834 179.018 176.094 0.151 0.000 1.047 63 V CA 1.786 64.098 62.300 0.019 0.000 1.035 63 V CB -0.351 31.386 31.823 -0.144 0.000 0.658 63 V HN 0.197 8.387 8.190 -0.000 0.000 0.452 64 K N 0.044 120.510 120.400 0.111 0.000 2.063 64 K HA -0.250 4.070 4.320 0.001 0.000 0.208 64 K C 2.233 178.870 176.600 0.062 0.000 1.048 64 K CA 1.772 58.082 56.287 0.038 0.000 0.928 64 K CB -0.330 32.019 32.500 -0.252 0.000 0.713 64 K HN 0.435 8.685 8.250 -0.000 0.000 0.442 65 Q N 1.423 121.245 119.800 0.037 0.000 2.084 65 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 65 Q C 1.718 177.739 176.000 0.036 0.000 0.978 65 Q CA 1.681 57.505 55.803 0.036 0.000 0.844 65 Q CB -0.008 28.750 28.738 0.033 0.000 0.898 65 Q HN 0.346 8.616 8.270 -0.000 0.000 0.426 66 E N -0.894 119.345 120.200 0.065 0.000 2.058 66 E HA -0.199 4.151 4.350 0.001 0.000 0.194 66 E C 1.703 178.310 176.600 0.011 0.000 0.997 66 E CA 1.190 57.646 56.400 0.093 0.000 0.801 66 E CB -0.329 29.488 29.700 0.194 0.000 0.746 66 E HN 0.394 8.754 8.360 -0.000 0.000 0.450 67 F N 1.467 121.227 119.950 -0.316 0.000 2.095 67 F HA -0.213 4.315 4.527 0.001 0.000 0.298 67 F C 2.206 177.752 175.800 -0.425 0.000 1.104 67 F CA 1.599 59.120 58.000 -0.799 0.000 1.232 67 F CB -0.456 38.082 39.000 -0.770 0.000 0.987 67 F HN -0.049 8.251 8.300 -0.000 0.000 0.475 68 A N 0.061 122.771 122.820 -0.183 0.000 1.902 68 A HA -0.201 4.119 4.320 0.001 0.000 0.217 68 A C 1.965 179.421 177.584 -0.213 0.000 1.181 68 A CA 2.048 54.002 52.037 -0.138 0.000 0.623 68 A CB -1.104 17.942 19.000 0.077 0.000 0.818 68 A HN 0.467 8.617 8.150 -0.000 0.000 0.443 69 D N 0.027 120.341 120.400 -0.145 0.000 2.097 69 D HA -0.045 4.596 4.640 0.001 0.000 0.195 69 D C 2.257 178.473 176.300 -0.139 0.000 0.989 69 D CA 1.627 55.553 54.000 -0.122 0.000 0.827 69 D CB -0.477 40.293 40.800 -0.049 0.000 0.966 69 D HN 0.417 8.787 8.370 -0.000 0.000 0.456 70 A N 1.082 123.818 122.820 -0.141 0.000 1.877 70 A HA -0.125 4.195 4.320 0.001 0.000 0.216 70 A C 2.341 179.836 177.584 -0.149 0.000 1.186 70 A CA 1.556 53.546 52.037 -0.078 0.000 0.620 70 A CB -0.861 18.177 19.000 0.062 0.000 0.822 70 A HN 0.422 8.572 8.150 -0.000 0.000 0.443 71 I N -2.979 117.399 120.570 -0.320 0.000 2.353 71 I HA -0.219 3.951 4.170 0.001 0.000 0.248 71 I C 2.180 178.157 176.117 -0.234 0.000 1.119 71 I CA 1.786 62.911 61.300 -0.293 0.000 1.417 71 I CB -0.588 37.127 38.000 -0.476 0.000 1.078 71 I HN 0.298 8.508 8.210 -0.000 0.000 0.421 72 Q N 1.568 121.178 119.800 -0.316 0.000 2.123 72 Q HA -0.024 4.316 4.340 0.001 0.000 0.199 72 Q C 2.516 178.395 176.000 -0.201 0.000 0.966 72 Q CA 1.489 57.083 55.803 -0.348 0.000 0.845 72 Q CB -0.182 28.249 28.738 -0.511 0.000 0.907 72 Q HN 0.725 8.995 8.270 -0.000 0.000 0.439 73 A N 1.091 123.822 122.820 -0.150 0.000 2.067 73 A HA -0.132 4.189 4.320 0.001 0.000 0.219 73 A C 2.136 179.684 177.584 -0.059 0.000 1.158 73 A CA 1.548 53.532 52.037 -0.089 0.000 0.661 73 A CB -0.326 18.637 19.000 -0.062 0.000 0.801 73 A HN 0.399 8.549 8.150 -0.000 0.000 0.452 74 S N -1.043 114.624 115.700 -0.056 0.000 2.558 74 S HA 0.199 4.670 4.470 0.001 0.000 0.217 74 S C 0.349 174.938 174.600 -0.019 0.000 0.975 74 S CA 0.119 58.306 58.200 -0.022 0.000 0.912 74 S CB -0.435 62.766 63.200 0.001 0.000 0.776 74 S HN 0.092 8.402 8.310 -0.000 0.000 0.526 75 V N 2.516 122.405 119.914 -0.042 0.000 2.461 75 V HA 0.378 4.498 4.120 0.001 0.000 0.275 75 V C 0.043 176.122 176.094 -0.025 0.000 1.047 75 V CA -0.360 61.924 62.300 -0.027 0.000 0.955 75 V CB 1.270 33.070 31.823 -0.038 0.000 0.988 75 V HN 0.359 8.549 8.190 -0.000 0.000 0.471 76 S N 3.320 119.012 115.700 -0.012 0.000 2.468 76 S HA 0.197 4.668 4.470 0.001 0.000 0.190 76 S C 0.238 174.834 174.600 -0.006 0.000 1.445 76 S CA -0.195 57.998 58.200 -0.011 0.000 1.084 76 S CB 0.731 63.926 63.200 -0.009 0.000 1.175 76 S HN 0.808 9.118 8.310 -0.000 0.000 0.484 77 S N 1.903 117.600 115.700 -0.006 0.000 2.549 77 S HA 0.215 4.686 4.470 0.001 0.000 0.283 77 S C 1.051 175.652 174.600 0.003 0.000 1.320 77 S CA -0.247 57.955 58.200 0.003 0.000 1.058 77 S CB 0.326 63.531 63.200 0.007 0.000 0.882 77 S HN 0.657 8.967 8.310 -0.000 0.000 0.498 78 R N 2.859 123.362 120.500 0.005 0.000 2.476 78 R HA 0.231 4.572 4.340 0.001 0.000 0.276 78 R C 1.428 177.734 176.300 0.010 0.000 0.941 78 R CA 0.472 56.575 56.100 0.004 0.000 1.088 78 R CB 0.518 30.818 30.300 -0.000 0.000 1.216 78 R HN 0.963 9.233 8.270 -0.000 0.000 0.533 79 G N 1.756 110.566 108.800 0.017 0.000 2.195 79 G HA2 -0.273 3.688 3.960 0.001 0.000 0.224 79 G HA3 -0.273 3.688 3.960 0.001 0.000 0.224 79 G C -0.244 174.675 174.900 0.032 0.000 0.990 79 G CA 0.072 45.187 45.100 0.025 0.000 0.639 79 G HN 0.407 8.697 8.290 -0.000 0.000 0.514 80 D N 0.331 120.746 120.400 0.025 0.000 2.316 80 D HA 0.524 5.165 4.640 0.001 0.000 0.245 80 D C 1.599 177.921 176.300 0.037 0.000 1.171 80 D CA -0.443 53.571 54.000 0.024 0.000 0.856 80 D CB 0.826 41.626 40.800 -0.001 0.000 1.090 80 D HN 0.075 8.445 8.370 -0.000 0.000 0.476 81 L N 5.165 126.434 121.223 0.077 0.000 2.017 81 L HA -0.090 4.251 4.340 0.001 0.000 0.208 81 L C 2.074 179.004 176.870 0.101 0.000 1.073 81 L CA 1.750 56.674 54.840 0.139 0.000 0.745 81 L CB -0.406 41.785 42.059 0.220 0.000 0.894 81 L HN 0.489 8.719 8.230 -0.000 0.000 0.432 82 K N -0.967 119.387 120.400 -0.076 0.000 2.063 82 K HA -0.272 4.049 4.320 0.001 0.000 0.208 82 K C 2.260 178.708 176.600 -0.254 0.000 1.048 82 K CA 1.915 57.889 56.287 -0.522 0.000 0.928 82 K CB -0.212 31.837 32.500 -0.751 0.000 0.713 82 K HN 0.561 8.811 8.250 -0.000 0.000 0.442 83 Q N 0.282 119.997 119.800 -0.142 0.000 2.084 83 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 83 Q C 1.184 177.151 176.000 -0.054 0.000 0.978 83 Q CA 1.936 57.675 55.803 -0.107 0.000 0.844 83 Q CB 0.079 28.780 28.738 -0.061 0.000 0.898 83 Q HN 0.332 8.602 8.270 -0.000 0.000 0.426 84 D N 0.101 120.509 120.400 0.013 0.000 2.144 84 D HA -0.103 4.538 4.640 0.001 0.000 0.200 84 D C 1.679 178.057 176.300 0.130 0.000 0.978 84 D CA 1.294 55.334 54.000 0.066 0.000 0.833 84 D CB -0.247 40.608 40.800 0.091 0.000 0.961 84 D HN 0.385 8.755 8.370 -0.000 0.000 0.470 85 A N 0.771 123.716 122.820 0.208 0.000 1.933 85 A HA -0.211 4.110 4.320 0.001 0.000 0.218 85 A C 2.110 179.884 177.584 0.316 0.000 1.175 85 A CA 1.697 53.987 52.037 0.423 0.000 0.628 85 A CB -0.532 18.884 19.000 0.694 0.000 0.814 85 A HN 0.257 8.407 8.150 -0.000 0.000 0.444 86 E N -0.337 119.776 120.200 -0.145 0.000 2.047 86 E HA -0.243 4.108 4.350 0.001 0.000 0.191 86 E C 2.196 178.708 176.600 -0.147 0.000 0.987 86 E CA 1.337 57.297 56.400 -0.734 0.000 0.799 86 E CB -0.168 28.997 29.700 -0.891 0.000 0.752 86 E HN 0.756 9.116 8.360 -0.000 0.000 0.449 87 Q N 0.147 119.946 119.800 -0.002 0.000 2.084 87 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 87 Q C 2.444 178.511 176.000 0.113 0.000 0.978 87 Q CA 1.327 57.183 55.803 0.088 0.000 0.844 87 Q CB -0.072 28.695 28.738 0.048 0.000 0.898 87 Q HN 0.353 8.623 8.270 -0.000 0.000 0.426 88 L N -0.307 120.989 121.223 0.122 0.000 2.056 88 L HA -0.176 4.165 4.340 0.001 0.000 0.207 88 L C 2.312 179.261 176.870 0.132 0.000 1.078 88 L CA 1.033 55.949 54.840 0.127 0.000 0.749 88 L CB -0.532 41.655 42.059 0.214 0.000 0.901 88 L HN 0.508 8.738 8.230 -0.000 0.000 0.433 89 W N 0.499 121.752 121.300 -0.079 0.000 2.355 89 W HA -0.254 4.406 4.660 0.001 0.000 0.309 89 W C 2.111 178.571 176.519 -0.099 0.000 1.206 89 W CA 1.398 58.616 57.345 -0.210 0.000 1.284 89 W CB -0.253 29.008 29.460 -0.332 0.000 1.145 89 W HN 0.090 8.270 8.180 -0.000 0.000 0.502 90 F N 1.069 121.122 119.950 0.171 0.000 2.325 90 F HA 0.003 4.530 4.527 0.001 0.000 0.299 90 F C 2.684 178.552 175.800 0.114 0.000 1.090 90 F CA 1.554 59.631 58.000 0.129 0.000 1.392 90 F CB -1.414 37.677 39.000 0.151 0.000 1.053 90 F HN -0.097 8.203 8.300 -0.000 0.000 0.521 91 A N -0.053 122.891 122.820 0.208 0.000 1.929 91 A HA 0.044 4.365 4.320 0.001 0.000 0.216 91 A C 2.439 180.089 177.584 0.109 0.000 1.176 91 A CA 1.462 53.580 52.037 0.135 0.000 0.628 91 A CB -1.103 17.925 19.000 0.047 0.000 0.816 91 A HN 0.262 8.412 8.150 -0.000 0.000 0.444 92 A N -0.515 122.321 122.820 0.028 0.000 1.873 92 A HA 0.018 4.339 4.320 0.001 0.000 0.215 92 A C 1.998 179.805 177.584 0.372 0.000 1.186 92 A CA 1.637 53.742 52.037 0.113 0.000 0.616 92 A CB -0.542 18.470 19.000 0.020 0.000 0.823 92 A HN 0.383 8.533 8.150 -0.000 0.000 0.442 93 L N -0.194 121.070 121.223 0.068 0.000 2.093 93 L HA -0.099 4.241 4.340 0.001 0.000 0.208 93 L C 2.695 179.400 176.870 -0.274 0.000 1.085 93 L CA 2.274 57.015 54.840 -0.165 0.000 0.755 93 L CB -1.066 40.802 42.059 -0.318 0.000 0.904 93 L HN 0.370 8.600 8.230 -0.000 0.000 0.435 94 T N -2.133 112.444 114.554 0.038 0.000 2.746 94 T HA -0.270 4.081 4.350 0.001 0.000 0.267 94 T C 1.502 176.256 174.700 0.090 0.000 1.039 94 T CA 1.530 63.697 62.100 0.113 0.000 1.142 94 T CB -0.507 68.531 68.868 0.283 0.000 0.866 94 T HN 0.513 8.753 8.240 -0.000 0.000 0.444 95 W N 2.459 123.780 121.300 0.036 0.000 2.358 95 W HA 0.156 4.816 4.660 0.001 0.000 0.303 95 W C 1.383 177.951 176.519 0.082 0.000 1.208 95 W CA 0.764 58.161 57.345 0.087 0.000 1.274 95 W CB -0.430 29.133 29.460 0.171 0.000 1.138 95 W HN 0.209 8.389 8.180 -0.000 0.000 0.515 99 N N 1.510 119.888 118.700 -0.537 0.000 2.918 99 N HA 0.244 4.985 4.740 0.001 0.000 0.270 99 N C -2.387 172.858 175.510 -0.442 0.000 1.536 99 N CA -1.035 51.655 53.050 -0.601 0.000 0.877 99 N CB 1.691 39.517 38.487 -1.101 0.000 1.190 99 N HN 0.232 8.612 8.380 -0.000 0.000 0.492 100 P HA -0.134 4.286 4.420 -0.000 0.000 0.218 100 P C 1.658 178.885 177.300 -0.122 0.000 1.149 100 P CA 0.446 63.444 63.100 -0.169 0.000 0.817 100 P CB 0.716 32.342 31.700 -0.122 0.000 0.785 101 L N 0.372 121.518 121.223 -0.129 0.000 2.005 101 L HA -0.064 4.277 4.340 0.001 0.000 0.207 101 L C 2.386 179.228 176.870 -0.047 0.000 1.072 101 L CA 2.060 56.858 54.840 -0.069 0.000 0.744 101 L CB -1.156 40.854 42.059 -0.082 0.000 0.895 101 L HN -0.228 8.002 8.230 -0.000 0.000 0.433 102 K N -1.074 119.231 120.400 -0.158 0.000 2.147 102 K HA -0.216 4.105 4.320 0.001 0.000 0.205 102 K C 2.116 178.637 176.600 -0.132 0.000 1.049 102 K CA 1.337 57.523 56.287 -0.170 0.000 0.936 102 K CB -0.132 32.233 32.500 -0.225 0.000 0.722 102 K HN 0.290 8.540 8.250 -0.000 0.000 0.446 103 Q N 1.022 120.756 119.800 -0.110 0.000 2.079 103 Q HA -0.049 4.292 4.340 0.001 0.000 0.200 103 Q C 1.866 177.965 176.000 0.165 0.000 0.974 103 Q CA 1.863 57.731 55.803 0.108 0.000 0.840 103 Q CB -0.302 28.469 28.738 0.056 0.000 0.898 103 Q HN 0.258 8.528 8.270 -0.000 0.000 0.430 104 A N -0.241 122.640 122.820 0.102 0.000 1.940 104 A HA -0.154 4.166 4.320 0.001 0.000 0.219 104 A C 2.024 179.742 177.584 0.224 0.000 1.176 104 A CA 1.415 53.528 52.037 0.127 0.000 0.631 104 A CB -1.054 17.999 19.000 0.088 0.000 0.814 104 A HN 0.580 8.730 8.150 -0.000 0.000 0.446 105 F N -0.349 119.687 119.950 0.144 0.000 2.134 105 F HA -0.156 4.371 4.527 0.001 0.000 0.299 105 F C 1.836 177.904 175.800 0.447 0.000 1.097 105 F CA 1.550 59.729 58.000 0.298 0.000 1.264 105 F CB -0.257 38.827 39.000 0.140 0.000 1.001 105 F HN 0.213 8.513 8.300 -0.000 0.000 0.479 106 F N 0.761 120.899 119.950 0.313 0.000 2.113 106 F HA -0.171 4.356 4.527 0.001 0.000 0.297 106 F C 2.589 178.447 175.800 0.098 0.000 1.103 106 F CA 1.117 59.230 58.000 0.190 0.000 1.248 106 F CB -1.471 37.664 39.000 0.225 0.000 0.999 106 F HN 0.026 8.326 8.300 -0.000 0.000 0.475 107 Q N 0.175 120.138 119.800 0.272 0.000 2.135 107 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 107 Q C 2.485 178.480 176.000 -0.008 0.000 0.981 107 Q CA 1.342 57.207 55.803 0.104 0.000 0.856 107 Q CB -0.704 28.074 28.738 0.067 0.000 0.902 107 Q HN 0.427 8.697 8.270 -0.000 0.000 0.425 108 L N -1.879 119.306 121.223 -0.064 0.000 2.162 108 L HA -0.096 4.245 4.340 0.001 0.000 0.205 108 L C 1.455 177.999 176.870 -0.544 0.000 1.086 108 L CA 0.887 55.524 54.840 -0.339 0.000 0.778 108 L CB -0.088 41.680 42.059 -0.485 0.000 0.928 108 L HN 0.158 8.388 8.230 -0.000 0.000 0.446 109 Y N -2.031 118.159 120.300 -0.184 0.000 2.467 109 Y HA 0.232 4.782 4.550 0.001 0.000 0.259 109 Y C 1.787 177.659 175.900 -0.046 0.000 1.084 109 Y CA -0.415 57.545 58.100 -0.234 0.000 1.275 109 Y CB 0.117 38.261 38.460 -0.525 0.000 1.208 109 Y HN -0.104 8.176 8.280 -0.000 0.000 0.511 113 P HA 0.136 4.556 4.420 -0.000 0.000 0.239 113 P C 1.176 178.416 177.300 -0.100 0.000 1.184 113 P CA 0.758 63.809 63.100 -0.081 0.000 0.760 113 P CB -0.310 31.356 31.700 -0.056 0.000 0.884 114 T N -1.057 113.423 114.554 -0.124 0.000 2.737 114 T HA -0.021 4.330 4.350 0.001 0.000 0.265 114 T C 0.962 175.505 174.700 -0.262 0.000 1.038 114 T CA 0.712 62.715 62.100 -0.161 0.000 1.144 114 T CB -0.479 68.310 68.868 -0.131 0.000 0.866 114 T HN -0.078 8.162 8.240 -0.000 0.000 0.434 115 V N 2.780 122.518 119.914 -0.293 0.000 2.583 115 V HA 0.152 4.273 4.120 0.001 0.000 0.287 115 V C 0.559 176.480 176.094 -0.288 0.000 1.051 115 V CA -0.909 61.143 62.300 -0.414 0.000 1.010 115 V CB 0.953 32.325 31.823 -0.752 0.000 0.988 115 V HN 0.299 8.489 8.190 -0.000 0.000 0.478 116 E N 2.915 122.973 120.200 -0.237 0.000 2.502 116 E HA -0.085 4.265 4.350 0.001 0.000 0.261 116 E C 0.976 177.506 176.600 -0.118 0.000 0.974 116 E CA 0.480 56.797 56.400 -0.138 0.000 0.936 116 E CB 0.547 30.190 29.700 -0.095 0.000 0.926 116 E HN 0.710 9.070 8.360 -0.000 0.000 0.459 117 Q N 2.330 122.088 119.800 -0.070 0.000 2.135 117 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 117 Q C 1.810 177.804 176.000 -0.010 0.000 0.981 117 Q CA 2.037 57.818 55.803 -0.038 0.000 0.856 117 Q CB 0.083 28.812 28.738 -0.016 0.000 0.902 117 Q HN 0.639 8.909 8.270 -0.000 0.000 0.425 118 S N -0.936 114.762 115.700 -0.003 0.000 2.370 118 S HA -0.132 4.338 4.470 0.001 0.000 0.226 118 S C 1.926 176.548 174.600 0.037 0.000 1.033 118 S CA 1.421 59.636 58.200 0.025 0.000 1.011 118 S CB -0.636 62.578 63.200 0.022 0.000 0.852 118 S HN 0.238 8.548 8.310 -0.000 0.000 0.457 119 V N 2.256 122.177 119.914 0.011 0.000 2.453 119 V HA -0.048 4.073 4.120 0.001 0.000 0.247 119 V C 2.879 179.041 176.094 0.115 0.000 1.048 119 V CA 1.674 64.004 62.300 0.050 0.000 1.049 119 V CB -0.754 31.062 31.823 -0.011 0.000 0.672 119 V HN 0.437 8.627 8.190 -0.000 0.000 0.457 120 R N 0.028 120.542 120.500 0.023 0.000 2.120 120 R HA -0.152 4.188 4.340 0.001 0.000 0.234 120 R C 2.009 178.345 176.300 0.060 0.000 1.123 120 R CA 1.601 57.762 56.100 0.101 0.000 0.975 120 R CB -0.374 29.924 30.300 -0.002 0.000 0.866 120 R HN 0.523 8.793 8.270 -0.000 0.000 0.446 121 D N 0.570 120.990 120.400 0.034 0.000 2.117 121 D HA -0.138 4.502 4.640 0.001 0.000 0.198 121 D C 1.928 178.244 176.300 0.027 0.000 0.982 121 D CA 1.110 55.124 54.000 0.025 0.000 0.828 121 D CB -0.124 40.765 40.800 0.147 0.000 0.967 121 D HN 0.264 8.634 8.370 -0.000 0.000 0.464 122 Q N 0.442 120.288 119.800 0.078 0.000 2.096 122 Q HA -0.030 4.311 4.340 0.001 0.000 0.204 122 Q C 1.073 177.101 176.000 0.047 0.000 0.982 122 Q CA 0.968 56.821 55.803 0.083 0.000 0.850 122 Q CB -0.045 28.755 28.738 0.102 0.000 0.901 122 Q HN 0.178 8.448 8.270 -0.000 0.000 0.422 126 G N 0.874 109.718 108.800 0.073 0.000 2.724 126 G HA2 0.080 4.040 3.960 0.001 0.000 0.217 126 G HA3 0.080 4.040 3.960 0.001 0.000 0.217 126 G C 1.354 176.288 174.900 0.057 0.000 1.251 126 G CA 0.436 45.579 45.100 0.070 0.000 0.867 126 G HN 0.126 8.416 8.290 -0.000 0.000 0.590 127 I N 0.557 121.147 120.570 0.034 0.000 2.226 127 I HA -0.052 4.119 4.170 0.001 0.000 0.245 127 I C 1.637 177.798 176.117 0.074 0.000 1.100 127 I CA 1.064 62.392 61.300 0.045 0.000 1.374 127 I CB -0.057 37.949 38.000 0.010 0.000 1.057 127 I HN 0.024 8.234 8.210 -0.000 0.000 0.413 128 L N 0.402 121.603 121.223 -0.037 0.000 2.928 128 L HA 0.275 4.615 4.340 0.001 0.000 0.246 128 L C 1.958 178.660 176.870 -0.280 0.000 1.239 128 L CA -0.217 54.508 54.840 -0.192 0.000 1.035 128 L CB 0.192 42.079 42.059 -0.286 0.000 1.360 128 L HN 0.116 8.346 8.230 -0.000 0.000 0.529 129 G N 1.000 109.767 108.800 -0.056 0.000 2.462 129 G HA2 -0.320 3.641 3.960 0.001 0.000 0.220 129 G HA3 -0.320 3.641 3.960 0.001 0.000 0.220 129 G C 1.364 176.259 174.900 -0.009 0.000 1.121 129 G CA 0.838 45.939 45.100 0.001 0.000 0.758 129 G HN 0.575 8.865 8.290 -0.000 0.000 0.559 130 F N 0.500 120.460 119.950 0.017 0.000 2.333 130 F HA 0.139 4.667 4.527 0.001 0.000 0.300 130 F C 2.133 177.954 175.800 0.036 0.000 1.083 130 F CA 0.343 58.355 58.000 0.020 0.000 1.395 130 F CB -0.381 38.622 39.000 0.004 0.000 1.056 130 F HN 0.122 8.422 8.300 -0.000 0.000 0.529 131 I N 1.235 121.368 120.570 -0.728 0.000 2.202 131 I HA -0.240 3.930 4.170 0.001 0.000 0.242 131 I C 2.897 178.940 176.117 -0.124 0.000 1.091 131 I CA 1.245 62.286 61.300 -0.431 0.000 1.368 131 I CB -0.872 36.849 38.000 -0.465 0.000 1.058 131 I HN 0.323 8.533 8.210 -0.000 0.000 0.410 132 A N 0.430 123.195 122.820 -0.092 0.000 1.933 132 A HA -0.219 4.102 4.320 0.001 0.000 0.218 132 A C 2.192 179.784 177.584 0.012 0.000 1.175 132 A CA 1.620 53.649 52.037 -0.013 0.000 0.628 132 A CB -0.558 18.456 19.000 0.023 0.000 0.814 132 A HN 0.446 8.596 8.150 -0.000 0.000 0.444 133 E N -0.210 120.010 120.200 0.034 0.000 2.077 133 E HA -0.154 4.196 4.350 0.001 0.000 0.193 133 E C 1.926 178.569 176.600 0.073 0.000 0.989 133 E CA 1.191 57.628 56.400 0.062 0.000 0.800 133 E CB -0.289 29.470 29.700 0.098 0.000 0.746 133 E HN 0.631 8.991 8.360 -0.000 0.000 0.452 134 L N 0.590 121.872 121.223 0.098 0.000 2.093 134 L HA -0.166 4.175 4.340 0.001 0.000 0.208 134 L C 2.385 179.303 176.870 0.079 0.000 1.085 134 L CA 0.791 55.703 54.840 0.121 0.000 0.755 134 L CB -0.284 41.887 42.059 0.186 0.000 0.904 134 L HN 0.155 8.385 8.230 -0.000 0.000 0.435 135 I N -0.684 119.908 120.570 0.038 0.000 2.179 135 I HA -0.279 3.892 4.170 0.001 0.000 0.242 135 I C 2.753 178.859 176.117 -0.018 0.000 1.088 135 I CA 1.210 62.503 61.300 -0.011 0.000 1.357 135 I CB -0.346 37.633 38.000 -0.034 0.000 1.051 135 I HN 0.159 8.369 8.210 -0.000 0.000 0.409 136 R N 0.441 120.940 120.500 -0.002 0.000 2.091 136 R HA -0.215 4.126 4.340 0.001 0.000 0.238 136 R C 2.360 178.662 176.300 0.003 0.000 1.136 136 R CA 1.596 57.693 56.100 -0.005 0.000 0.959 136 R CB -0.336 29.968 30.300 0.005 0.000 0.856 136 R HN 0.500 8.770 8.270 -0.000 0.000 0.437 137 Q N -0.921 118.894 119.800 0.026 0.000 2.084 137 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 137 Q C 2.167 178.188 176.000 0.035 0.000 0.978 137 Q CA 1.431 57.257 55.803 0.037 0.000 0.844 137 Q CB -0.158 28.616 28.738 0.061 0.000 0.898 137 Q HN 0.481 8.751 8.270 -0.000 0.000 0.426 138 G N 0.353 109.175 108.800 0.036 0.000 2.443 138 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 138 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 138 G C 1.201 176.083 174.900 -0.031 0.000 1.131 138 G CA 0.354 45.471 45.100 0.028 0.000 0.775 138 G HN 0.277 8.567 8.290 -0.000 0.000 0.547 139 Q N -0.013 119.754 119.800 -0.055 0.000 2.096 139 Q HA 0.138 4.479 4.340 0.001 0.000 0.197 139 Q C 2.984 178.953 176.000 -0.052 0.000 0.964 139 Q CA 0.978 56.731 55.803 -0.083 0.000 0.838 139 Q CB -0.159 28.523 28.738 -0.095 0.000 0.906 139 Q HN 0.452 8.722 8.270 -0.000 0.000 0.444 140 A N 1.057 123.861 122.820 -0.027 0.000 1.969 140 A HA -0.147 4.173 4.320 0.001 0.000 0.218 140 A C 2.132 179.712 177.584 -0.006 0.000 1.169 140 A CA 1.655 53.684 52.037 -0.014 0.000 0.635 140 A CB -0.388 18.610 19.000 -0.003 0.000 0.810 140 A HN 0.406 8.556 8.150 -0.000 0.000 0.445 141 S N -1.922 113.781 115.700 0.005 0.000 2.593 141 S HA 0.375 4.845 4.470 0.001 0.000 0.217 141 S C 1.338 175.945 174.600 0.011 0.000 0.966 141 S CA 0.979 59.189 58.200 0.017 0.000 0.914 141 S CB -0.340 62.884 63.200 0.040 0.000 0.776 141 S HN 1.902 10.212 8.310 -0.000 0.000 0.523 142 G N 0.998 109.792 108.800 -0.011 0.000 2.147 142 G HA2 -0.264 3.696 3.960 0.001 0.000 0.244 142 G HA3 -0.264 3.696 3.960 0.001 0.000 0.244 142 G C 0.381 175.271 174.900 -0.017 0.000 1.005 142 G CA 0.506 45.592 45.100 -0.023 0.000 0.713 142 G HN 0.594 8.884 8.290 -0.000 0.000 0.515 143 E N -1.050 119.147 120.200 -0.004 0.000 2.251 143 E HA 0.312 4.662 4.350 0.001 0.000 0.194 143 E C 1.085 177.620 176.600 -0.108 0.000 0.964 143 E CA 0.222 56.641 56.400 0.031 0.000 0.868 143 E CB 0.363 30.165 29.700 0.169 0.000 0.828 143 E HN 0.547 8.907 8.360 -0.000 0.000 0.481 144 L N 0.900 122.014 121.223 -0.181 0.000 2.334 144 L HA 0.539 4.880 4.340 0.001 0.000 0.276 144 L C -0.005 176.666 176.870 -0.331 0.000 1.014 144 L CA -1.192 53.454 54.840 -0.324 0.000 0.815 144 L CB 1.512 43.379 42.059 -0.320 0.000 1.268 144 L HN -0.034 8.196 8.230 -0.000 0.000 0.428 145 A N 1.827 124.365 122.820 -0.470 0.000 2.448 145 A HA 0.157 4.478 4.320 0.001 0.000 0.239 145 A C 0.120 177.282 177.584 -0.704 0.000 1.080 145 A CA -0.099 51.532 52.037 -0.676 0.000 0.779 145 A CB 0.020 18.337 19.000 -1.139 0.000 1.026 145 A HN 0.801 8.951 8.150 -0.000 0.000 0.499 146 E N 1.023 120.862 120.200 -0.601 0.000 2.069 146 E HA 0.310 4.661 4.350 0.001 0.000 0.254 146 E C -1.424 175.016 176.600 -0.267 0.000 1.088 146 E CA 0.017 56.207 56.400 -0.350 0.000 1.017 146 E CB 0.158 29.747 29.700 -0.186 0.000 1.226 146 E HN 0.561 8.921 8.360 -0.000 0.000 0.458 147 Y N 0.210 120.465 120.300 -0.076 0.000 2.519 147 Y HA 0.364 4.914 4.550 0.001 0.000 0.324 147 Y C -1.955 173.912 175.900 -0.055 0.000 1.214 147 Y CA -3.426 54.635 58.100 -0.066 0.000 1.260 147 Y CB -0.289 38.123 38.460 -0.080 0.000 1.311 147 Y HN 0.216 8.496 8.280 -0.000 0.000 0.505 148 P HA 0.105 4.525 4.420 -0.000 0.000 0.264 148 P C 0.432 177.763 177.300 0.051 0.000 1.193 148 P CA 0.419 63.552 63.100 0.054 0.000 0.763 148 P CB 0.554 32.276 31.700 0.037 0.000 0.810 149 I N 2.118 122.704 120.570 0.026 0.000 2.394 149 I HA -0.223 3.948 4.170 0.001 0.000 0.251 149 I C 1.979 178.120 176.117 0.041 0.000 1.136 149 I CA 1.468 62.782 61.300 0.023 0.000 1.425 149 I CB -0.367 37.638 38.000 0.008 0.000 1.079 149 I HN 0.473 8.683 8.210 -0.000 0.000 0.425 150 E N 0.284 120.515 120.200 0.052 0.000 2.106 150 E HA -0.159 4.191 4.350 0.001 0.000 0.192 150 E C 1.085 177.721 176.600 0.060 0.000 0.984 150 E CA 0.455 56.906 56.400 0.085 0.000 0.806 150 E CB -0.040 29.718 29.700 0.097 0.000 0.750 150 E HN 0.215 8.575 8.360 -0.000 0.000 0.458 154 D N 0.894 121.342 120.400 0.081 0.000 2.144 154 D HA -0.118 4.522 4.640 0.001 0.000 0.199 154 D C 1.351 177.725 176.300 0.123 0.000 0.984 154 D CA 1.618 55.685 54.000 0.112 0.000 0.834 154 D CB -0.160 40.679 40.800 0.065 0.000 0.955 154 D HN 0.308 8.678 8.370 -0.000 0.000 0.465 155 N N -0.087 118.662 118.700 0.081 0.000 2.084 155 N HA -0.139 4.602 4.740 0.001 0.000 0.190 155 N C 1.660 177.272 175.510 0.168 0.000 1.030 155 N CA 1.436 54.530 53.050 0.074 0.000 0.849 155 N CB -0.282 38.207 38.487 0.004 0.000 1.012 155 N HN 0.088 8.468 8.380 -0.000 0.000 0.423 156 C N -0.312 119.117 119.300 0.214 0.000 2.398 156 C HA -0.126 4.335 4.460 0.001 0.000 0.276 156 C C 2.593 177.883 174.990 0.500 0.000 1.222 156 C CA 1.024 60.312 59.018 0.451 0.000 1.746 156 C CB -1.763 26.233 27.740 0.427 0.000 2.039 156 C HN 0.607 8.837 8.230 -0.000 0.000 0.470 157 H N 0.942 120.140 119.070 0.214 0.000 2.321 157 H HA -0.029 4.527 4.556 0.001 0.000 0.300 157 H C 2.359 177.815 175.328 0.213 0.000 1.087 157 H CA 2.078 58.224 56.048 0.162 0.000 1.319 157 H CB -0.946 28.840 29.762 0.039 0.000 1.379 157 H HN 0.399 8.679 8.280 -0.000 0.000 0.501 158 G N -0.158 108.746 108.800 0.173 0.000 2.422 158 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 158 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 158 G C 1.640 176.646 174.900 0.177 0.000 1.146 158 G CA 0.654 45.800 45.100 0.075 0.000 0.769 158 G HN 0.471 8.761 8.290 -0.000 0.000 0.547 159 Q N -1.051 118.925 119.800 0.294 0.000 2.119 159 Q HA -0.091 4.249 4.340 0.001 0.000 0.201 159 Q C 2.209 178.536 176.000 0.545 0.000 0.972 159 Q CA 1.129 57.160 55.803 0.381 0.000 0.847 159 Q CB -0.254 28.738 28.738 0.423 0.000 0.903 159 Q HN 0.662 8.932 8.270 -0.000 0.000 0.433 160 Y N 1.339 121.926 120.300 0.478 0.000 2.145 160 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 160 Y C 1.775 177.782 175.900 0.178 0.000 1.145 160 Y CA 1.343 59.624 58.100 0.303 0.000 1.148 160 Y CB -0.207 38.401 38.460 0.245 0.000 0.981 160 Y HN -0.013 8.267 8.280 -0.000 0.000 0.507 161 L N -0.212 121.072 121.223 0.101 0.000 2.141 161 L HA -0.168 4.172 4.340 0.001 0.000 0.209 161 L C 2.772 179.619 176.870 -0.038 0.000 1.094 161 L CA 1.005 55.819 54.840 -0.043 0.000 0.763 161 L CB -0.913 41.153 42.059 0.012 0.000 0.908 161 L HN 0.371 8.601 8.230 -0.000 0.000 0.437 162 A N 0.079 122.926 122.820 0.044 0.000 1.873 162 A HA -0.111 4.210 4.320 0.001 0.000 0.215 162 A C 2.523 180.146 177.584 0.064 0.000 1.186 162 A CA 1.598 53.669 52.037 0.056 0.000 0.616 162 A CB -0.625 18.424 19.000 0.081 0.000 0.823 162 A HN 0.371 8.521 8.150 -0.000 0.000 0.442 163 A N -0.294 122.592 122.820 0.110 0.000 1.930 163 A HA -0.058 4.262 4.320 0.001 0.000 0.217 163 A C 2.397 180.055 177.584 0.123 0.000 1.175 163 A CA 2.359 54.490 52.037 0.157 0.000 0.627 163 A CB -1.245 17.994 19.000 0.399 0.000 0.815 163 A HN 0.726 8.876 8.150 -0.000 0.000 0.443 164 T N -2.213 112.291 114.554 -0.084 0.000 2.985 164 T HA -0.093 4.257 4.350 0.001 0.000 0.266 164 T C 1.910 176.590 174.700 -0.033 0.000 1.076 164 T CA 1.258 63.286 62.100 -0.120 0.000 1.135 164 T CB -0.218 68.405 68.868 -0.409 0.000 0.890 164 T HN 0.409 8.649 8.240 -0.000 0.000 0.480 165 R N 0.330 120.817 120.500 -0.021 0.000 2.070 165 R HA -0.084 4.257 4.340 0.001 0.000 0.233 165 R C 2.168 178.481 176.300 0.021 0.000 1.137 165 R CA 1.524 57.623 56.100 -0.001 0.000 0.945 165 R CB -1.381 28.926 30.300 0.012 0.000 0.845 165 R HN 0.511 8.781 8.270 -0.000 0.000 0.430 166 Y N -0.044 120.205 120.300 -0.085 0.000 2.097 166 Y HA -0.209 4.341 4.550 0.001 0.000 0.282 166 Y C 1.604 177.455 175.900 -0.082 0.000 1.152 166 Y CA 2.178 60.217 58.100 -0.101 0.000 1.136 166 Y CB -0.434 37.862 38.460 -0.272 0.000 0.975 166 Y HN 0.105 8.385 8.280 -0.000 0.000 0.498 167 F N -1.424 118.610 119.950 0.140 0.000 2.407 167 F HA -0.092 4.436 4.527 0.001 0.000 0.299 167 F C 2.259 178.012 175.800 -0.079 0.000 1.097 167 F CA 0.859 58.885 58.000 0.043 0.000 1.422 167 F CB -0.814 38.237 39.000 0.085 0.000 1.067 167 F HN -0.104 8.196 8.300 -0.000 0.000 0.539 168 V N -0.361 119.573 119.914 0.034 0.000 2.488 168 V HA -0.206 3.915 4.120 0.001 0.000 0.246 168 V C 1.788 177.811 176.094 -0.118 0.000 1.046 168 V CA 1.707 63.978 62.300 -0.047 0.000 1.053 168 V CB -0.424 31.364 31.823 -0.058 0.000 0.679 168 V HN 0.159 8.349 8.190 -0.000 0.000 0.458 169 D N -0.978 119.286 120.400 -0.226 0.000 2.183 169 D HA -0.058 4.583 4.640 0.001 0.000 0.203 169 D C 0.972 176.866 176.300 -0.676 0.000 0.969 169 D CA 1.104 54.828 54.000 -0.460 0.000 0.842 169 D CB -0.121 40.312 40.800 -0.611 0.000 0.957 169 D HN 0.499 8.869 8.370 -0.000 0.000 0.484 170 H N -0.373 118.592 119.070 -0.176 0.000 2.348 170 H HA 0.177 4.733 4.556 0.001 0.000 0.232 170 H C -1.702 173.630 175.328 0.007 0.000 1.419 170 H CA -1.333 54.620 56.048 -0.158 0.000 1.416 170 H CB 1.324 30.853 29.762 -0.388 0.000 1.510 170 H HN 0.081 8.361 8.280 -0.000 0.000 0.507 171 P HA -0.182 4.238 4.420 -0.000 0.000 0.220 171 P C 1.536 178.969 177.300 0.223 0.000 1.148 171 P CA 1.062 64.264 63.100 0.169 0.000 0.803 171 P CB 0.482 32.230 31.700 0.080 0.000 0.782 172 E N 1.394 121.694 120.200 0.167 0.000 2.204 172 E HA -0.179 4.172 4.350 0.001 0.000 0.194 172 E C 1.814 178.519 176.600 0.175 0.000 0.989 172 E CA 0.960 57.446 56.400 0.143 0.000 0.824 172 E CB -0.712 29.049 29.700 0.102 0.000 0.756 172 E HN 0.272 8.632 8.360 -0.000 0.000 0.477 173 R N -0.177 120.470 120.500 0.245 0.000 2.189 173 R HA 0.000 4.341 4.340 0.001 0.000 0.218 173 R C 2.146 178.703 176.300 0.428 0.000 1.074 173 R CA 1.004 57.286 56.100 0.302 0.000 0.991 173 R CB -0.447 30.021 30.300 0.280 0.000 0.883 173 R HN 0.389 8.659 8.270 -0.000 0.000 0.457 174 W N 1.868 123.305 121.300 0.227 0.000 2.465 174 W HA -0.146 4.515 4.660 0.001 0.000 0.268 174 W C 0.563 177.007 176.519 -0.126 0.000 1.242 174 W CA 0.824 58.072 57.345 -0.162 0.000 1.248 174 W CB 0.249 29.586 29.460 -0.205 0.000 1.118 174 W HN 0.086 8.266 8.180 -0.000 0.000 0.587 175 Q N 0.562 120.288 119.800 -0.125 0.000 2.451 175 Q HA 0.017 4.357 4.340 0.001 0.000 0.206 175 Q C 0.019 175.917 176.000 -0.170 0.000 0.947 175 Q CA 0.934 56.614 55.803 -0.204 0.000 0.937 175 Q CB -0.099 28.608 28.738 -0.051 0.000 1.025 175 Q HN 0.486 8.756 8.270 -0.000 0.000 0.511 176 Q N -0.430 119.304 119.800 -0.109 0.000 2.368 176 Q HA 0.470 4.811 4.340 0.001 0.000 0.256 176 Q C 0.561 176.493 176.000 -0.114 0.000 0.980 176 Q CA -0.175 55.599 55.803 -0.049 0.000 0.887 176 Q CB 1.561 30.309 28.738 0.017 0.000 1.221 176 Q HN 0.095 8.365 8.270 -0.000 0.000 0.458 177 A N 3.083 125.851 122.820 -0.086 0.000 1.948 177 A HA -0.268 4.053 4.320 0.001 0.000 0.220 177 A C 1.788 179.388 177.584 0.026 0.000 1.177 177 A CA 2.058 54.037 52.037 -0.096 0.000 0.636 177 A CB -0.707 18.252 19.000 -0.069 0.000 0.815 177 A HN 0.950 9.100 8.150 -0.000 0.000 0.449 178 H N -1.120 117.984 119.070 0.056 0.000 2.423 178 H HA -0.020 4.537 4.556 0.001 0.000 0.297 178 H C 1.420 176.862 175.328 0.190 0.000 1.075 178 H CA 1.309 57.423 56.048 0.110 0.000 1.342 178 H CB -0.392 29.424 29.762 0.090 0.000 1.395 178 H HN 0.497 8.777 8.280 -0.000 0.000 0.530 179 E N 1.515 121.471 120.200 -0.407 0.000 2.051 179 E HA -0.101 4.249 4.350 0.001 0.000 0.192 179 E C 2.492 179.340 176.600 0.413 0.000 0.991 179 E CA 0.477 56.891 56.400 0.023 0.000 0.799 179 E CB -0.110 29.711 29.700 0.202 0.000 0.748 179 E HN 0.569 8.929 8.360 -0.000 0.000 0.449 180 R N 0.592 121.276 120.500 0.306 0.000 2.073 180 R HA -0.049 4.291 4.340 0.001 0.000 0.234 180 R C 2.601 179.300 176.300 0.664 0.000 1.134 180 R CA 1.328 57.686 56.100 0.430 0.000 0.952 180 R CB -0.336 29.864 30.300 -0.168 0.000 0.850 180 R HN 0.019 8.289 8.270 -0.000 0.000 0.433 181 S N 0.843 116.791 115.700 0.414 0.000 2.382 181 S HA -0.134 4.336 4.470 0.001 0.000 0.228 181 S C 2.081 176.947 174.600 0.443 0.000 1.027 181 S CA 1.235 59.714 58.200 0.465 0.000 0.991 181 S CB -0.156 63.213 63.200 0.281 0.000 0.823 181 S HN 0.479 8.789 8.310 -0.000 0.000 0.469 182 A N 1.745 124.776 122.820 0.350 0.000 1.933 182 A HA -0.110 4.211 4.320 0.001 0.000 0.218 182 A C 2.367 180.122 177.584 0.285 0.000 1.175 182 A CA 1.968 54.162 52.037 0.262 0.000 0.628 182 A CB -0.960 18.156 19.000 0.193 0.000 0.814 182 A HN 0.627 8.777 8.150 -0.000 0.000 0.444 183 S N -1.107 114.870 115.700 0.462 0.000 2.368 183 S HA -0.177 4.293 4.470 0.001 0.000 0.225 183 S C 1.850 176.687 174.600 0.395 0.000 1.030 183 S CA 1.475 60.011 58.200 0.559 0.000 0.999 183 S CB -0.722 63.066 63.200 0.980 0.000 0.844 183 S HN 0.541 8.851 8.310 -0.000 0.000 0.459 184 F N 3.057 123.152 119.950 0.241 0.000 2.186 184 F HA 0.195 4.722 4.527 0.001 0.000 0.299 184 F C 2.501 178.276 175.800 -0.041 0.000 1.090 184 F CA 0.542 58.382 58.000 -0.268 0.000 1.307 184 F CB -0.974 37.952 39.000 -0.124 0.000 1.019 184 F HN 0.301 8.601 8.300 -0.000 0.000 0.489 185 A N 0.629 123.451 122.820 0.004 0.000 1.908 185 A HA -0.163 4.157 4.320 0.001 0.000 0.218 185 A C 2.294 179.814 177.584 -0.107 0.000 1.181 185 A CA 1.935 53.945 52.037 -0.044 0.000 0.627 185 A CB -1.214 17.842 19.000 0.093 0.000 0.818 185 A HN 0.479 8.629 8.150 -0.000 0.000 0.445 186 L N -2.168 119.017 121.223 -0.064 0.000 2.046 186 L HA -0.144 4.196 4.340 0.001 0.000 0.208 186 L C 2.450 179.230 176.870 -0.150 0.000 1.077 186 L CA 1.598 56.396 54.840 -0.071 0.000 0.747 186 L CB -0.514 41.541 42.059 -0.006 0.000 0.896 186 L HN 0.522 8.752 8.230 -0.000 0.000 0.432 187 F N -0.335 119.337 119.950 -0.464 0.000 2.075 187 F HA -0.289 4.239 4.527 0.001 0.000 0.297 187 F C 2.358 177.869 175.800 -0.482 0.000 1.113 187 F CA 1.574 59.210 58.000 -0.607 0.000 1.218 187 F CB -0.557 37.669 39.000 -1.291 0.000 0.984 187 F HN 0.148 8.448 8.300 -0.000 0.000 0.472 188 W N 1.490 122.253 121.300 -0.895 0.000 2.355 188 W HA -0.239 4.421 4.660 0.001 0.000 0.309 188 W C 1.813 178.046 176.519 -0.477 0.000 1.206 188 W CA 1.714 58.579 57.345 -0.800 0.000 1.284 188 W CB -0.643 28.258 29.460 -0.931 0.000 1.145 188 W HN 0.056 8.236 8.180 -0.000 0.000 0.502 189 N N 0.930 119.454 118.700 -0.294 0.000 2.381 189 N HA -0.072 4.669 4.740 0.001 0.000 0.182 189 N C 0.971 176.319 175.510 -0.270 0.000 1.025 189 N CA 1.195 54.104 53.050 -0.235 0.000 0.888 189 N CB -0.792 37.641 38.487 -0.089 0.000 0.965 189 N HN 0.012 8.392 8.380 -0.000 0.000 0.438 193 V N 0.051 119.818 119.914 -0.245 0.000 2.763 193 V HA 0.607 4.727 4.120 0.001 0.000 0.306 193 V C 0.439 176.475 176.094 -0.098 0.000 1.059 193 V CA -0.072 62.126 62.300 -0.170 0.000 1.138 193 V CB 0.151 31.897 31.823 -0.127 0.000 0.940 193 V HN 0.965 9.155 8.190 -0.000 0.000 0.489 194 R N 0.000 120.457 120.500 -0.072 0.000 2.786 194 R HA 0.000 4.340 4.340 0.001 0.000 0.208 194 R CA 0.000 56.079 56.100 -0.035 0.000 0.921 194 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 194 R HN 0.000 8.270 8.270 -0.000 0.000 0.535