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 1c57_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADTIVAVELD TYPNTDIGDP SYPHIGIDIK SVRSKKTAKW NMQNGKVGTA DATA SEQUENCE HIIYNSVDKR LSAVVSYPNA DSATVSYDVD LDNVLPEWVR VGLSASTGLY DATA SEQUENCE KETNTILSWS FTSKLKSNST HETNALHFMF NQFSKDQKDL ILQGDATTGT DATA SEQUENCE DGNLELTRVS SNGSPQGSSV GRALFYAPVH IWESSAVVAS FEATFTFLIK DATA SEQUENCE SPDSHPADGI AFFISNIDSS IPSGSTGRLL GLFPDAN 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 1 A HA 0.000 4.323 4.320 0.005 0.000 0.244 1 A C 0.000 177.586 177.584 0.003 0.000 1.274 1 A CA 0.000 52.039 52.037 0.003 0.000 0.836 1 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 2 D N 1.624 122.019 120.400 -0.009 0.000 2.382 2 D HA -0.004 4.731 4.640 -0.007 -0.099 0.240 2 D C -0.860 175.446 176.300 0.009 0.000 1.146 2 D CA 0.379 54.371 54.000 -0.014 0.000 0.897 2 D CB 0.360 41.125 40.800 -0.059 0.000 1.197 2 D HN -0.282 8.077 8.370 -0.018 0.000 0.432 3 T N 4.638 119.203 114.554 0.019 0.000 2.756 3 T HA 0.256 4.640 4.350 0.057 0.000 0.290 3 T C -1.713 173.012 174.700 0.042 0.000 0.985 3 T CA 0.015 62.141 62.100 0.042 0.000 0.955 3 T CB 0.915 69.809 68.868 0.044 0.000 0.930 3 T HN 0.524 9.181 8.240 0.016 -0.408 0.451 4 I N 6.923 127.532 120.570 0.065 0.000 2.465 4 I HA 0.520 4.872 4.170 0.044 -0.156 0.291 4 I C -2.095 174.099 176.117 0.127 0.000 1.014 4 I CA -2.348 58.980 61.300 0.047 0.000 1.093 4 I CB 2.776 40.688 38.000 -0.146 0.000 1.267 4 I HN 0.562 8.836 8.210 0.108 0.000 0.431 5 V N 7.189 127.170 119.914 0.112 0.000 2.487 5 V HA 0.799 5.205 4.120 0.170 -0.184 0.298 5 V C -2.104 174.075 176.094 0.141 0.000 1.028 5 V CA -2.331 60.052 62.300 0.138 0.000 0.860 5 V CB 2.386 34.278 31.823 0.115 0.000 0.991 5 V HN 0.243 8.489 8.190 0.094 0.000 0.427 6 A N 7.039 129.971 122.820 0.185 0.000 2.587 6 A HA 0.844 5.387 4.320 0.167 -0.123 0.293 6 A C -2.725 174.994 177.584 0.226 0.000 1.087 6 A CA -1.282 50.868 52.037 0.188 0.000 0.692 6 A CB 4.596 23.679 19.000 0.139 0.000 1.291 6 A HN 1.167 9.440 8.150 0.205 0.000 0.407 7 V N 1.577 121.654 119.914 0.272 0.000 2.357 7 V HA 0.709 5.129 4.120 0.190 -0.186 0.284 7 V C -1.146 175.045 176.094 0.162 0.000 1.018 7 V CA -2.167 60.275 62.300 0.237 0.000 0.841 7 V CB 1.427 33.433 31.823 0.306 0.000 0.991 7 V HN 0.505 8.881 8.190 0.310 0.000 0.437 8 E N 7.085 127.340 120.200 0.093 0.000 2.231 8 E HA 0.503 4.994 4.350 0.031 -0.122 0.277 8 E C -1.289 175.256 176.600 -0.092 0.000 0.999 8 E CA -2.120 54.297 56.400 0.027 0.000 0.827 8 E CB 2.245 31.980 29.700 0.060 0.000 1.101 8 E HN 0.727 9.148 8.360 0.102 0.000 0.393 9 L N 3.586 124.710 121.223 -0.165 0.000 2.360 9 L HA 0.255 4.276 4.340 -0.533 0.000 0.265 9 L C -1.481 175.356 176.870 -0.056 0.000 1.066 9 L CA -0.783 53.835 54.840 -0.370 0.000 0.929 9 L CB -0.286 41.398 42.059 -0.624 0.000 1.306 9 L HN 0.990 9.159 8.230 -0.101 0.000 0.434 10 D N 3.373 123.722 120.400 -0.085 0.000 2.339 10 D HA 0.371 5.139 4.640 0.009 -0.123 0.241 10 D C 0.726 177.059 176.300 0.055 0.000 1.183 10 D CA -1.244 52.691 54.000 -0.109 0.000 0.859 10 D CB 1.663 42.178 40.800 -0.476 0.000 1.067 10 D HN -0.008 8.236 8.370 -0.210 0.000 0.484 11 T N 3.728 118.391 114.554 0.183 0.000 3.067 11 T HA -0.175 4.261 4.350 0.142 0.000 0.257 11 T C -0.525 174.268 174.700 0.155 0.000 1.105 11 T CA 0.766 62.968 62.100 0.170 0.000 1.104 11 T CB 0.719 69.688 68.868 0.168 0.000 0.925 11 T HN 0.011 8.355 8.240 0.174 0.000 0.498 12 Y N 2.903 123.234 120.300 0.052 0.000 2.328 12 Y HA 0.247 4.805 4.550 0.013 0.000 0.336 12 Y C -2.335 173.609 175.900 0.074 0.000 0.960 12 Y CA -2.754 55.364 58.100 0.031 0.000 1.134 12 Y CB 3.333 41.793 38.460 -0.001 0.000 1.166 12 Y HN -0.837 7.782 8.280 0.248 -0.190 0.464 13 P HA 0.077 4.677 4.420 0.127 -0.104 0.279 13 P C -1.930 175.350 177.300 -0.034 0.000 1.318 13 P CA -0.387 62.664 63.100 -0.081 0.000 0.819 13 P CB 0.078 31.663 31.700 -0.191 0.000 0.927 14 N N 7.554 126.335 118.700 0.135 0.000 2.949 14 N HA 0.188 5.039 4.740 0.185 0.000 0.243 14 N C 0.855 176.382 175.510 0.028 0.000 1.113 14 N CA -0.747 52.388 53.050 0.142 0.000 0.980 14 N CB -0.104 38.481 38.487 0.163 0.000 1.256 14 N HN 0.437 9.326 8.380 0.166 -0.410 0.508 15 T N 0.024 114.565 114.554 -0.022 0.000 2.929 15 T HA -0.250 4.243 4.350 -0.096 -0.200 0.271 15 T C 0.744 175.421 174.700 -0.038 0.000 1.085 15 T CA 3.319 65.382 62.100 -0.061 0.000 1.125 15 T CB 0.138 68.959 68.868 -0.078 0.000 0.874 15 T HN -0.285 7.940 8.240 -0.024 0.000 0.494 16 D N 0.990 121.385 120.400 -0.009 0.000 2.312 16 D HA -0.161 4.470 4.640 -0.016 0.000 0.211 16 D C 0.403 176.694 176.300 -0.016 0.000 0.964 16 D CA 1.724 55.719 54.000 -0.008 0.000 0.877 16 D CB -0.767 40.037 40.800 0.007 0.000 0.924 16 D HN 0.345 8.677 8.370 0.011 0.044 0.515 17 I N -8.603 111.958 120.570 -0.015 0.000 3.856 17 I HA 0.228 4.378 4.170 -0.032 0.000 0.330 17 I C -0.440 175.648 176.117 -0.049 0.000 1.546 17 I CA -1.244 60.039 61.300 -0.028 0.000 1.132 17 I CB -0.348 37.641 38.000 -0.017 0.000 1.157 17 I HN -0.642 7.415 8.210 -0.006 0.149 0.440 18 G N 0.223 108.986 108.800 -0.062 0.000 2.176 18 G HA2 -0.407 3.499 3.960 -0.089 0.000 0.232 18 G HA3 -0.407 3.502 3.960 -0.085 0.000 0.232 18 G C -0.052 174.763 174.900 -0.141 0.000 0.986 18 G CA -0.042 45.003 45.100 -0.091 0.000 0.643 18 G HN -0.537 7.656 8.290 -0.056 0.064 0.522 19 D N 3.090 123.405 120.400 -0.142 0.000 2.399 19 D HA 0.186 4.590 4.640 -0.394 0.000 0.241 19 D C -1.108 174.951 176.300 -0.400 0.000 1.133 19 D CA -0.926 52.904 54.000 -0.284 0.000 0.890 19 D CB -0.031 40.708 40.800 -0.101 0.000 1.201 19 D HN -0.659 7.662 8.370 -0.081 0.000 0.432 20 P HA 0.101 4.223 4.420 -0.497 0.000 0.275 20 P C -0.885 175.985 177.300 -0.717 0.000 1.266 20 P CA -0.495 62.158 63.100 -0.745 0.000 0.793 20 P CB 0.766 31.771 31.700 -1.159 0.000 1.074 21 S N -1.771 113.526 115.700 -0.672 0.000 2.768 21 S HA -0.010 4.299 4.470 -0.269 0.000 0.246 21 S C -1.279 173.203 174.600 -0.197 0.000 1.006 21 S CA 0.254 58.251 58.200 -0.338 0.000 1.075 21 S CB -1.406 61.709 63.200 -0.142 0.000 0.786 21 S HN 0.305 8.213 8.310 -0.669 0.000 0.468 22 Y N -5.784 114.530 120.300 0.022 0.000 2.656 22 Y HA 0.369 4.919 4.550 0.001 0.000 0.334 22 Y C -3.379 172.643 175.900 0.205 0.000 1.179 22 Y CA -3.786 54.348 58.100 0.057 0.000 1.050 22 Y CB -0.468 38.022 38.460 0.050 0.000 1.308 22 Y HN -0.823 6.896 8.280 -0.762 0.104 0.456 23 P HA 0.188 4.882 4.420 0.252 -0.122 0.267 23 P C -1.413 176.255 177.300 0.613 0.000 1.200 23 P CA 0.247 63.541 63.100 0.324 0.000 0.772 23 P CB 0.448 32.166 31.700 0.030 0.000 0.855 24 H N -3.227 116.157 119.070 0.524 0.000 2.981 24 H HA 0.632 5.711 4.556 0.572 -0.180 0.327 24 H C -2.362 173.169 175.328 0.338 0.000 1.342 24 H CA -1.567 54.773 56.048 0.486 0.000 1.123 24 H CB 3.117 33.081 29.762 0.338 0.000 1.851 24 H HN 0.573 8.832 8.280 -0.035 0.000 0.531 25 I N -5.894 114.816 120.570 0.233 0.000 2.562 25 I HA 0.956 5.259 4.170 -0.125 -0.208 0.301 25 I C -1.451 174.752 176.117 0.142 0.000 1.003 25 I CA -2.769 58.529 61.300 -0.003 0.000 1.127 25 I CB 2.626 40.529 38.000 -0.162 0.000 1.304 25 I HN 0.327 8.746 8.210 0.349 0.000 0.446 26 G N 1.844 110.707 108.800 0.104 0.000 2.692 26 G HA2 0.747 4.914 3.960 0.127 0.000 0.291 26 G HA3 0.747 4.811 3.960 0.172 0.000 0.291 26 G C -2.826 172.131 174.900 0.095 0.000 1.423 26 G CA -0.787 44.391 45.100 0.130 0.000 0.843 26 G HN 0.218 8.532 8.290 0.041 0.000 0.486 27 I N 0.271 120.877 120.570 0.061 0.000 2.355 27 I HA 0.451 4.836 4.170 0.124 -0.141 0.288 27 I C -1.998 174.120 176.117 0.003 0.000 0.999 27 I CA -0.909 60.431 61.300 0.066 0.000 1.163 27 I CB 2.214 40.265 38.000 0.084 0.000 1.316 27 I HN 0.328 8.554 8.210 0.028 0.000 0.454 28 D N 9.010 129.458 120.400 0.080 0.000 2.303 28 D HA 0.420 5.044 4.640 -0.028 0.000 0.236 28 D C -1.693 174.677 176.300 0.118 0.000 1.068 28 D CA -1.382 52.662 54.000 0.074 0.000 0.830 28 D CB 2.062 42.981 40.800 0.199 0.000 1.109 28 D HN 0.946 9.291 8.370 0.137 0.108 0.496 29 I N 3.405 124.002 120.570 0.045 0.000 2.428 29 I HA 0.165 4.418 4.170 0.140 0.000 0.279 29 I C -0.627 175.537 176.117 0.077 0.000 1.040 29 I CA -2.272 59.083 61.300 0.092 0.000 1.171 29 I CB -1.036 37.021 38.000 0.096 0.000 1.312 29 I HN 0.624 8.810 8.210 -0.040 0.000 0.470 30 K N 1.459 121.961 120.400 0.170 0.000 3.349 30 K HA -0.405 4.159 4.320 0.316 -0.055 0.310 30 K C -1.446 175.168 176.600 0.024 0.000 1.267 30 K CA 1.518 57.913 56.287 0.181 0.000 0.920 30 K CB -1.033 31.526 32.500 0.098 0.000 1.240 30 K HN 0.629 9.021 8.250 0.237 0.000 0.453 31 S N -4.698 110.832 115.700 -0.283 0.000 2.537 31 S HA 0.071 4.019 4.470 -0.870 0.000 0.271 31 S C -1.117 172.773 174.600 -1.184 0.000 1.148 31 S CA -1.352 56.403 58.200 -0.740 0.000 0.868 31 S CB 1.836 64.835 63.200 -0.335 0.000 1.115 31 S HN -0.813 7.353 8.310 -0.141 0.060 0.461 32 V N 3.352 122.418 119.914 -1.413 0.000 2.970 32 V HA -0.172 3.520 4.120 -0.712 0.000 0.260 32 V C -0.027 175.882 176.094 -0.309 0.000 1.100 32 V CA 0.227 62.055 62.300 -0.786 0.000 1.122 32 V CB 0.144 31.737 31.823 -0.382 0.000 0.721 32 V HN 0.761 8.199 8.190 -1.254 0.000 0.483 33 R N 1.084 121.408 120.500 -0.294 0.000 2.429 33 R HA -0.056 4.213 4.340 -0.119 0.000 0.302 33 R C -1.134 175.076 176.300 -0.150 0.000 1.268 33 R CA -0.525 55.475 56.100 -0.167 0.000 1.090 33 R CB -1.315 28.898 30.300 -0.146 0.000 1.102 33 R HN -0.702 7.292 8.270 -0.379 0.050 0.522 34 S N 3.603 119.244 115.700 -0.100 0.000 2.599 34 S HA -0.261 4.387 4.470 -0.095 -0.235 0.303 34 S C 0.919 175.430 174.600 -0.149 0.000 1.267 34 S CA 1.626 59.772 58.200 -0.090 0.000 1.055 34 S CB 0.186 63.381 63.200 -0.008 0.000 0.790 34 S HN -0.160 8.113 8.310 -0.062 0.000 0.500 35 K N 3.093 123.338 120.400 -0.259 0.000 2.296 35 K HA -0.093 4.071 4.320 -0.261 0.000 0.200 35 K C 0.512 176.921 176.600 -0.318 0.000 1.048 35 K CA 0.783 56.828 56.287 -0.404 0.000 0.966 35 K CB 0.495 32.422 32.500 -0.955 0.000 0.754 35 K HN 0.411 8.502 8.250 -0.265 0.000 0.466 36 K N -2.381 117.890 120.400 -0.215 0.000 2.557 36 K HA 0.187 4.494 4.320 -0.021 0.000 0.261 36 K C -2.571 174.041 176.600 0.020 0.000 0.932 36 K CA 0.126 56.381 56.287 -0.054 0.000 0.829 36 K CB 3.017 35.530 32.500 0.022 0.000 1.358 36 K HN -0.803 7.293 8.250 -0.204 0.031 0.430 37 T N -0.150 114.444 114.554 0.066 0.000 2.865 37 T HA 1.003 5.620 4.350 0.155 -0.174 0.294 37 T C -1.486 173.314 174.700 0.167 0.000 1.119 37 T CA -2.395 59.785 62.100 0.133 0.000 1.007 37 T CB 3.319 72.253 68.868 0.111 0.000 1.225 37 T HN -0.090 8.185 8.240 0.060 0.000 0.515 38 A N -0.111 122.849 122.820 0.234 0.000 2.520 38 A HA 0.362 4.804 4.320 0.203 0.000 0.298 38 A C -2.106 175.678 177.584 0.332 0.000 1.051 38 A CA -0.970 51.204 52.037 0.227 0.000 0.690 38 A CB 3.625 22.720 19.000 0.158 0.000 1.281 38 A HN 0.467 8.787 8.150 0.282 0.000 0.402 39 K N 3.872 124.423 120.400 0.252 0.000 2.448 39 K HA -0.198 4.363 4.320 0.402 0.000 0.278 39 K C -0.951 175.822 176.600 0.289 0.000 1.009 39 K CA 0.666 57.046 56.287 0.156 0.000 0.995 39 K CB 0.625 32.920 32.500 -0.342 0.000 0.917 39 K HN 0.349 8.694 8.250 0.158 0.000 0.481 40 W N 8.203 129.586 121.300 0.139 0.000 2.554 40 W HA 0.272 5.001 4.660 0.115 0.000 0.324 40 W C -2.068 174.526 176.519 0.125 0.000 1.018 40 W CA -2.307 55.119 57.345 0.135 0.000 1.243 40 W CB 2.091 31.643 29.460 0.153 0.000 1.345 40 W HN 0.359 8.834 8.180 0.492 0.000 0.441 41 N N 9.886 128.619 118.700 0.057 0.000 2.895 41 N HA 0.029 4.669 4.740 -0.166 0.000 0.277 41 N C -0.737 174.553 175.510 -0.366 0.000 1.185 41 N CA -0.398 52.570 53.050 -0.136 0.000 1.106 41 N CB -0.719 37.757 38.487 -0.019 0.000 1.422 41 N HN 0.223 8.773 8.380 0.282 0.000 0.521 42 M N 3.062 122.167 119.600 -0.825 0.000 2.249 42 M HA -0.144 3.822 4.480 -0.855 0.000 0.340 42 M C -1.265 174.744 176.300 -0.485 0.000 1.166 42 M CA 1.134 55.875 55.300 -0.932 0.000 1.115 42 M CB 0.513 32.342 32.600 -1.285 0.000 1.606 42 M HN -0.475 7.297 8.290 -0.794 0.041 0.448 43 Q N 5.286 124.777 119.800 -0.516 0.000 2.381 43 Q HA 0.150 4.263 4.340 -0.379 0.000 0.263 43 Q C -1.070 174.770 176.000 -0.266 0.000 1.030 43 Q CA -1.424 54.063 55.803 -0.527 0.000 0.772 43 Q CB 1.397 29.585 28.738 -0.916 0.000 1.232 43 Q HN -0.205 7.827 8.270 -0.396 0.000 0.476 44 N N 5.309 123.912 118.700 -0.161 0.000 2.411 44 N HA -0.401 4.452 4.740 -0.005 -0.115 0.265 44 N C 1.131 176.619 175.510 -0.038 0.000 1.266 44 N CA 1.590 54.605 53.050 -0.059 0.000 0.889 44 N CB -0.405 38.047 38.487 -0.058 0.000 1.069 44 N HN 0.629 8.899 8.380 -0.184 0.000 0.476 45 G N 6.839 115.654 108.800 0.026 0.000 2.176 45 G HA2 -0.445 3.549 3.960 0.057 0.000 0.253 45 G HA3 -0.445 3.520 3.960 0.008 0.000 0.253 45 G C -0.731 174.188 174.900 0.031 0.000 0.979 45 G CA 0.535 45.653 45.100 0.031 0.000 0.641 45 G HN 0.748 8.978 8.290 0.069 0.102 0.530 46 K N 1.041 121.454 120.400 0.021 0.000 2.123 46 K HA 0.303 4.642 4.320 0.031 0.000 0.259 46 K C -0.624 176.081 176.600 0.174 0.000 0.960 46 K CA -1.904 54.408 56.287 0.041 0.000 0.872 46 K CB 1.592 34.023 32.500 -0.116 0.000 1.079 46 K HN -0.516 7.671 8.250 -0.000 0.063 0.440 47 V N 2.723 122.704 119.914 0.112 0.000 2.455 47 V HA 0.322 4.597 4.120 -0.066 -0.195 0.273 47 V C 0.411 176.433 176.094 -0.120 0.000 1.045 47 V CA -0.755 61.535 62.300 -0.016 0.000 0.976 47 V CB 0.170 31.979 31.823 -0.025 0.000 0.993 47 V HN 0.304 8.546 8.190 0.086 0.000 0.475 48 G N 7.037 115.393 108.800 -0.740 0.000 2.597 48 G HA2 0.775 4.348 3.960 -0.778 0.000 0.317 48 G HA3 0.775 3.618 3.960 -1.862 0.000 0.317 48 G C -2.202 172.012 174.900 -1.144 0.000 1.230 48 G CA -1.641 42.717 45.100 -1.236 0.000 0.996 48 G HN 0.664 8.335 8.290 -1.032 0.000 0.490 49 T N 1.365 115.500 114.554 -0.698 0.000 2.921 49 T HA 0.597 4.835 4.350 -0.467 -0.168 0.297 49 T C -2.250 172.177 174.700 -0.455 0.000 1.013 49 T CA -0.447 61.361 62.100 -0.487 0.000 0.990 49 T CB 2.991 71.626 68.868 -0.388 0.000 1.023 49 T HN 0.480 8.345 8.240 -0.625 0.000 0.447 50 A N 5.387 127.817 122.820 -0.651 0.000 2.342 50 A HA 0.871 5.103 4.320 -0.453 -0.184 0.323 50 A C -2.047 175.132 177.584 -0.676 0.000 1.125 50 A CA -2.225 49.400 52.037 -0.687 0.000 0.785 50 A CB 3.226 21.626 19.000 -1.000 0.000 1.221 50 A HN 0.903 8.596 8.150 -0.762 0.000 0.463 51 H N 1.916 120.876 119.070 -0.183 0.000 2.529 51 H HA 0.842 5.535 4.556 -0.076 -0.183 0.348 51 H C -1.178 174.122 175.328 -0.047 0.000 1.079 51 H CA -1.909 54.084 56.048 -0.091 0.000 1.198 51 H CB 3.073 32.798 29.762 -0.063 0.000 1.521 51 H HN 0.683 8.866 8.280 -0.161 0.000 0.514 52 I N 3.798 124.430 120.570 0.102 0.000 2.498 52 I HA 0.691 5.116 4.170 0.128 -0.178 0.290 52 I C -1.461 174.735 176.117 0.131 0.000 1.032 52 I CA -0.753 60.622 61.300 0.124 0.000 1.073 52 I CB 2.729 40.798 38.000 0.114 0.000 1.251 52 I HN 0.919 9.084 8.210 0.099 0.104 0.426 53 I N 0.452 121.066 120.570 0.073 0.000 2.865 53 I HA 0.968 5.236 4.170 -0.115 -0.167 0.302 53 I C -2.598 173.423 176.117 -0.160 0.000 1.140 53 I CA -2.374 58.881 61.300 -0.075 0.000 1.021 53 I CB 4.325 42.280 38.000 -0.075 0.000 1.233 53 I HN 0.800 9.068 8.210 0.097 0.000 0.427 54 Y N 3.164 123.110 120.300 -0.590 0.000 2.565 54 Y HA 0.618 5.169 4.550 -0.297 -0.179 0.330 54 Y C -2.858 172.777 175.900 -0.440 0.000 1.150 54 Y CA -0.494 57.277 58.100 -0.549 0.000 1.055 54 Y CB 4.149 42.105 38.460 -0.841 0.000 1.337 54 Y HN 0.208 8.202 8.280 -0.476 0.000 0.457 55 N N 3.590 121.637 118.700 -1.087 0.000 2.331 55 N HA 0.555 5.194 4.740 -0.428 -0.156 0.280 55 N C 0.219 175.226 175.510 -0.837 0.000 1.155 55 N CA -0.981 51.655 53.050 -0.691 0.000 0.822 55 N CB 3.484 41.755 38.487 -0.359 0.000 1.619 55 N HN 0.163 7.676 8.380 -1.446 0.000 0.476 56 S N -0.135 115.360 115.700 -0.342 0.000 2.507 56 S HA -0.046 4.368 4.470 -0.093 0.000 0.235 56 S C 0.974 175.503 174.600 -0.119 0.000 0.988 56 S CA 2.344 60.469 58.200 -0.125 0.000 0.944 56 S CB -0.206 63.035 63.200 0.069 0.000 0.762 56 S HN 0.832 8.927 8.310 -0.183 0.105 0.526 57 V N 3.109 122.925 119.914 -0.164 0.000 2.331 57 V HA -0.252 3.825 4.120 -0.073 0.000 0.242 57 V C 1.606 177.622 176.094 -0.129 0.000 1.034 57 V CA 3.242 65.473 62.300 -0.116 0.000 1.027 57 V CB -0.054 31.704 31.823 -0.108 0.000 0.667 57 V HN -0.349 7.866 8.190 -0.210 -0.151 0.457 58 D N -2.088 118.198 120.400 -0.191 0.000 2.249 58 D HA -0.010 4.560 4.640 -0.116 0.000 0.205 58 D C -0.337 175.863 176.300 -0.167 0.000 0.962 58 D CA 1.021 54.921 54.000 -0.167 0.000 0.860 58 D CB 0.555 41.250 40.800 -0.175 0.000 0.955 58 D HN -0.281 8.326 8.370 -0.242 -0.381 0.505 59 K N -4.376 115.864 120.400 -0.268 0.000 3.244 59 K HA -0.497 3.756 4.320 -0.205 -0.055 0.270 59 K C -2.032 174.561 176.600 -0.010 0.000 1.016 59 K CA 1.029 57.242 56.287 -0.124 0.000 0.754 59 K CB -2.643 29.864 32.500 0.012 0.000 1.326 59 K HN -0.188 7.818 8.250 -0.407 0.000 0.465 60 R N -1.537 118.909 120.500 -0.089 0.000 2.514 60 R HA 0.452 4.998 4.340 0.076 -0.160 0.296 60 R C -2.741 173.669 176.300 0.183 0.000 1.012 60 R CA -1.276 54.848 56.100 0.041 0.000 0.897 60 R CB 3.625 33.906 30.300 -0.032 0.000 1.184 60 R HN -0.497 7.561 8.270 -0.354 0.000 0.440 61 L N 8.049 129.463 121.223 0.318 0.000 2.260 61 L HA 0.644 5.370 4.340 0.397 -0.148 0.289 61 L C -2.137 174.868 176.870 0.224 0.000 1.057 61 L CA -0.782 54.265 54.840 0.346 0.000 0.811 61 L CB 1.760 44.028 42.059 0.349 0.000 1.184 61 L HN 0.548 8.943 8.230 0.275 0.000 0.429 62 S N 7.414 123.210 115.700 0.160 0.000 2.568 62 S HA 0.864 5.585 4.470 0.136 -0.169 0.293 62 S C -2.095 172.574 174.600 0.116 0.000 1.089 62 S CA -0.939 57.332 58.200 0.119 0.000 0.945 62 S CB 3.210 66.448 63.200 0.064 0.000 1.077 62 S HN 0.497 8.892 8.310 0.142 0.000 0.485 63 A N 2.425 125.304 122.820 0.098 0.000 2.515 63 A HA 1.058 5.645 4.320 0.087 -0.216 0.298 63 A C -2.632 174.978 177.584 0.044 0.000 1.059 63 A CA -1.445 50.639 52.037 0.078 0.000 0.698 63 A CB 3.837 22.885 19.000 0.080 0.000 1.289 63 A HN 0.945 9.151 8.150 0.094 0.000 0.404 64 V N 1.466 121.403 119.914 0.038 0.000 2.638 64 V HA 0.846 5.167 4.120 0.021 -0.189 0.306 64 V C -1.667 174.411 176.094 -0.027 0.000 1.052 64 V CA -2.299 60.021 62.300 0.034 0.000 0.885 64 V CB 3.626 35.502 31.823 0.088 0.000 0.999 64 V HN 0.648 8.870 8.190 0.053 0.000 0.424 65 V N 8.487 128.357 119.914 -0.073 0.000 2.604 65 V HA 0.921 5.133 4.120 -0.191 -0.207 0.305 65 V C -0.959 175.111 176.094 -0.040 0.000 1.043 65 V CA -2.305 59.905 62.300 -0.151 0.000 0.888 65 V CB 2.813 34.419 31.823 -0.361 0.000 0.995 65 V HN 0.904 9.071 8.190 -0.039 0.000 0.429 66 S N 3.815 119.456 115.700 -0.098 0.000 2.596 66 S HA 0.371 4.907 4.470 0.111 0.000 0.270 66 S C -2.187 172.300 174.600 -0.188 0.000 1.155 66 S CA -1.654 56.533 58.200 -0.022 0.000 0.827 66 S CB 2.794 66.019 63.200 0.042 0.000 1.130 66 S HN 0.632 8.825 8.310 -0.195 0.000 0.467 67 Y N -1.544 118.801 120.300 0.076 0.000 2.545 67 Y HA 0.518 5.052 4.550 -0.026 0.000 0.348 67 Y C -1.615 174.297 175.900 0.019 0.000 1.002 67 Y CA -1.897 56.219 58.100 0.026 0.000 1.039 67 Y CB 2.749 41.237 38.460 0.048 0.000 1.271 67 Y HN 0.398 8.832 8.280 0.256 0.000 0.467 68 P HA 0.018 4.486 4.420 0.079 0.000 0.267 68 P C -0.915 176.440 177.300 0.092 0.000 1.200 68 P CA 0.823 63.983 63.100 0.100 0.000 0.772 68 P CB 0.629 32.372 31.700 0.072 0.000 0.855 69 N N -2.435 116.305 118.700 0.065 0.000 2.828 69 N HA -0.321 4.443 4.740 0.040 0.000 0.248 69 N C -1.298 174.245 175.510 0.056 0.000 1.044 69 N CA 1.380 54.459 53.050 0.048 0.000 0.851 69 N CB -1.003 37.503 38.487 0.031 0.000 1.136 69 N HN 0.256 8.671 8.380 0.059 0.000 0.572 70 A N -1.157 121.716 122.820 0.088 0.000 2.469 70 A HA 0.253 4.613 4.320 0.066 0.000 0.299 70 A C -1.900 175.747 177.584 0.104 0.000 1.098 70 A CA -0.612 51.483 52.037 0.097 0.000 0.737 70 A CB 2.295 21.378 19.000 0.138 0.000 1.312 70 A HN -0.653 7.502 8.150 0.105 0.059 0.414 71 D N 0.655 121.111 120.400 0.093 0.000 2.362 71 D HA 0.069 4.753 4.640 0.073 0.000 0.242 71 D C 0.117 176.492 176.300 0.124 0.000 1.132 71 D CA 0.505 54.558 54.000 0.088 0.000 0.907 71 D CB 0.995 41.836 40.800 0.068 0.000 1.195 71 D HN 0.095 8.514 8.370 0.082 0.000 0.429 72 S N 0.607 116.371 115.700 0.107 0.000 2.669 72 S HA 0.284 4.943 4.470 0.151 -0.098 0.270 72 S C -0.795 173.881 174.600 0.125 0.000 1.225 72 S CA 0.138 58.410 58.200 0.120 0.000 0.991 72 S CB 1.388 64.639 63.200 0.084 0.000 0.987 72 S HN -0.008 8.352 8.310 0.084 0.000 0.552 73 A N 1.172 124.068 122.820 0.128 0.000 2.365 73 A HA 0.436 4.826 4.320 0.117 0.000 0.318 73 A C -2.223 175.400 177.584 0.066 0.000 1.091 73 A CA -0.778 51.331 52.037 0.122 0.000 0.763 73 A CB 2.774 21.889 19.000 0.192 0.000 1.248 73 A HN 0.529 8.745 8.150 0.111 0.000 0.442 74 T N 3.339 117.934 114.554 0.067 0.000 2.903 74 T HA 0.967 5.536 4.350 0.041 -0.194 0.299 74 T C -1.574 173.168 174.700 0.070 0.000 1.093 74 T CA -1.127 61.007 62.100 0.056 0.000 1.002 74 T CB 2.845 71.744 68.868 0.052 0.000 1.127 74 T HN 0.087 8.375 8.240 0.080 0.000 0.488 75 V N 2.719 122.678 119.914 0.075 0.000 2.932 75 V HA 0.353 4.533 4.120 0.101 0.000 0.307 75 V C -2.955 173.208 176.094 0.116 0.000 1.147 75 V CA -1.905 60.455 62.300 0.099 0.000 0.951 75 V CB 4.135 36.020 31.823 0.104 0.000 1.031 75 V HN 0.586 8.816 8.190 0.067 0.000 0.426 76 S N 7.298 123.081 115.700 0.139 0.000 2.569 76 S HA 0.760 5.526 4.470 0.167 -0.196 0.280 76 S C -1.530 173.221 174.600 0.251 0.000 1.111 76 S CA -0.983 57.313 58.200 0.161 0.000 0.887 76 S CB 3.022 66.284 63.200 0.103 0.000 1.095 76 S HN -0.043 8.349 8.310 0.138 0.000 0.476 77 Y N 2.528 122.883 120.300 0.091 0.000 2.441 77 Y HA 0.121 4.716 4.550 0.074 0.000 0.334 77 Y C -2.614 173.348 175.900 0.102 0.000 1.061 77 Y CA -0.385 57.769 58.100 0.090 0.000 1.032 77 Y CB 4.103 42.622 38.460 0.097 0.000 1.266 77 Y HN 0.686 9.117 8.280 0.251 0.000 0.441 78 D N 8.431 128.505 120.400 -0.544 0.000 2.339 78 D HA 0.186 4.876 4.640 -0.156 -0.144 0.256 78 D C -1.536 174.461 176.300 -0.506 0.000 1.214 78 D CA 1.213 54.986 54.000 -0.379 0.000 0.877 78 D CB 0.463 41.097 40.800 -0.276 0.000 1.111 78 D HN 0.204 8.196 8.370 -0.629 0.000 0.478 79 V N 3.953 123.794 119.914 -0.123 0.000 2.924 79 V HA 0.285 4.376 4.120 -0.048 0.000 0.300 79 V C -2.794 173.398 176.094 0.163 0.000 1.227 79 V CA -2.316 59.993 62.300 0.015 0.000 0.954 79 V CB 4.233 36.155 31.823 0.166 0.000 1.055 79 V HN -0.096 8.105 8.190 0.018 0.000 0.429 80 D N 7.947 128.424 120.400 0.127 0.000 2.411 80 D HA 0.200 5.004 4.640 0.272 0.000 0.225 80 D C 1.118 177.505 176.300 0.144 0.000 1.156 80 D CA -1.189 52.914 54.000 0.172 0.000 0.874 80 D CB -0.423 40.438 40.800 0.102 0.000 1.034 80 D HN 0.098 8.517 8.370 0.082 0.000 0.502 81 L N 5.079 126.395 121.223 0.155 0.000 2.265 81 L HA -0.372 3.986 4.340 0.031 0.000 0.215 81 L C 1.337 178.244 176.870 0.061 0.000 1.117 81 L CA 2.226 57.087 54.840 0.036 0.000 0.782 81 L CB -0.176 41.785 42.059 -0.164 0.000 0.914 81 L HN 0.009 8.418 8.230 0.299 0.000 0.441 82 D N -2.443 118.010 120.400 0.089 0.000 2.218 82 D HA -0.201 4.418 4.640 -0.036 0.000 0.204 82 D C 1.034 177.290 176.300 -0.074 0.000 0.976 82 D CA 2.689 56.680 54.000 -0.016 0.000 0.853 82 D CB -0.497 40.288 40.800 -0.025 0.000 0.939 82 D HN -0.230 8.438 8.370 0.155 -0.205 0.481 83 N N -3.118 115.573 118.700 -0.015 0.000 2.336 83 N HA 0.070 4.777 4.740 -0.055 0.000 0.189 83 N C -0.119 175.392 175.510 0.002 0.000 1.113 83 N CA 0.521 53.560 53.050 -0.019 0.000 0.858 83 N CB 0.734 39.224 38.487 0.006 0.000 0.970 83 N HN -0.428 7.836 8.380 0.028 0.133 0.471 84 V N -1.634 118.290 119.914 0.017 0.000 3.090 84 V HA 0.030 4.170 4.120 0.034 0.000 0.237 84 V C -0.392 175.719 176.094 0.029 0.000 1.209 84 V CA 0.621 62.941 62.300 0.034 0.000 1.209 84 V CB 1.910 33.770 31.823 0.061 0.000 0.971 84 V HN -0.561 7.444 8.190 0.019 0.197 0.477 85 L N -1.442 119.796 121.223 0.026 0.000 2.334 85 L HA 0.372 4.736 4.340 0.040 0.000 0.270 85 L C -2.576 174.310 176.870 0.027 0.000 1.018 85 L CA -2.459 52.402 54.840 0.035 0.000 0.811 85 L CB 0.223 42.311 42.059 0.047 0.000 1.271 85 L HN -0.316 7.928 8.230 0.023 0.000 0.443 86 P HA 0.104 4.546 4.420 0.036 0.000 0.275 86 P C -0.788 176.579 177.300 0.113 0.000 1.266 86 P CA -0.666 62.478 63.100 0.074 0.000 0.793 86 P CB 0.878 32.646 31.700 0.114 0.000 1.074 87 E N -1.028 119.267 120.200 0.158 0.000 2.106 87 E HA -0.200 4.287 4.350 0.229 0.000 0.192 87 E C -0.420 176.253 176.600 0.121 0.000 0.984 87 E CA 2.317 58.843 56.400 0.211 0.000 0.806 87 E CB 0.465 30.365 29.700 0.334 0.000 0.750 87 E HN 0.313 8.769 8.360 0.159 0.000 0.458 88 W N -4.075 117.350 121.300 0.208 0.000 2.529 88 W HA 0.571 5.550 4.660 0.214 -0.191 0.321 88 W C -0.827 175.746 176.519 0.091 0.000 1.047 88 W CA -1.293 56.142 57.345 0.149 0.000 1.216 88 W CB 2.394 31.887 29.460 0.055 0.000 1.357 88 W HN -0.657 7.755 8.180 0.415 0.017 0.489 89 V N -5.231 114.871 119.914 0.313 0.000 3.182 89 V HA 0.760 5.039 4.120 0.140 -0.075 0.308 89 V C -2.141 174.022 176.094 0.114 0.000 1.240 89 V CA -3.077 59.318 62.300 0.159 0.000 1.063 89 V CB 3.835 35.706 31.823 0.079 0.000 1.076 89 V HN 0.821 9.224 8.190 0.355 0.000 0.446 90 R N -1.495 119.014 120.500 0.015 0.000 2.803 90 R HA 0.343 4.693 4.340 0.016 0.000 0.276 90 R C -1.856 174.322 176.300 -0.204 0.000 0.978 90 R CA -1.651 54.424 56.100 -0.041 0.000 0.939 90 R CB 3.845 34.120 30.300 -0.043 0.000 1.179 90 R HN 0.400 8.670 8.270 -0.001 0.000 0.472 91 V N -2.405 117.359 119.914 -0.251 0.000 2.715 91 V HA 1.106 4.950 4.120 -0.717 -0.154 0.310 91 V C -1.566 174.296 176.094 -0.386 0.000 1.054 91 V CA -3.516 58.497 62.300 -0.478 0.000 0.928 91 V CB 2.359 33.880 31.823 -0.502 0.000 1.007 91 V HN 0.346 8.470 8.190 -0.111 0.000 0.437 92 G N 1.166 109.415 108.800 -0.918 0.000 2.619 92 G HA2 0.771 4.771 3.960 0.032 0.000 0.305 92 G HA3 0.771 4.298 3.960 -0.809 -0.053 0.305 92 G C -3.158 171.225 174.900 -0.863 0.000 1.330 92 G CA 0.182 44.859 45.100 -0.705 0.000 0.789 92 G HN 0.395 7.813 8.290 -1.455 0.000 0.487 93 L N -2.413 118.493 121.223 -0.527 0.000 2.381 93 L HA 0.929 5.253 4.340 -0.344 -0.190 0.268 93 L C -1.876 174.961 176.870 -0.054 0.000 0.997 93 L CA -1.263 53.332 54.840 -0.409 0.000 0.818 93 L CB 4.681 46.266 42.059 -0.791 0.000 1.310 93 L HN 0.423 8.413 8.230 -0.398 0.000 0.416 94 S N 0.648 116.316 115.700 -0.054 0.000 2.569 94 S HA 0.929 5.502 4.470 -0.104 -0.165 0.280 94 S C -2.146 172.369 174.600 -0.142 0.000 1.111 94 S CA -1.908 56.223 58.200 -0.115 0.000 0.887 94 S CB 2.945 65.980 63.200 -0.275 0.000 1.095 94 S HN 0.772 9.024 8.310 -0.096 0.000 0.476 95 A N 2.242 124.985 122.820 -0.127 0.000 2.612 95 A HA 0.931 5.349 4.320 -0.079 -0.145 0.293 95 A C -2.602 174.938 177.584 -0.073 0.000 1.075 95 A CA -0.726 51.258 52.037 -0.088 0.000 0.680 95 A CB 3.643 22.599 19.000 -0.072 0.000 1.279 95 A HN 0.249 8.320 8.150 -0.132 0.000 0.411 96 S N -2.329 113.347 115.700 -0.041 0.000 2.596 96 S HA 1.003 5.619 4.470 -0.042 -0.171 0.270 96 S C -1.099 173.496 174.600 -0.007 0.000 1.155 96 S CA -1.046 57.134 58.200 -0.034 0.000 0.827 96 S CB 3.114 66.290 63.200 -0.041 0.000 1.130 96 S HN 0.133 8.428 8.310 -0.024 0.000 0.467 97 T N -3.620 110.928 114.554 -0.011 0.000 2.883 97 T HA 0.572 5.009 4.350 0.018 -0.076 0.296 97 T C -1.187 173.501 174.700 -0.019 0.000 1.117 97 T CA -2.020 60.081 62.100 0.002 0.000 1.006 97 T CB 3.648 72.522 68.868 0.009 0.000 1.191 97 T HN 0.463 8.689 8.240 -0.023 0.000 0.508 98 G N -0.667 108.118 108.800 -0.026 0.000 3.420 98 G HA2 0.215 4.144 3.960 -0.051 0.000 0.183 98 G HA3 0.215 4.137 3.960 -0.062 0.000 0.183 98 G C 0.170 175.020 174.900 -0.084 0.000 1.315 98 G CA 0.878 45.945 45.100 -0.054 0.000 0.958 98 G HN 0.343 8.629 8.290 -0.006 0.000 0.745 99 L N 0.418 121.559 121.223 -0.137 0.000 2.056 99 L HA -0.041 4.171 4.340 -0.214 0.000 0.207 99 L C -0.394 176.261 176.870 -0.360 0.000 1.078 99 L CA 1.551 56.229 54.840 -0.270 0.000 0.749 99 L CB 0.233 42.072 42.059 -0.367 0.000 0.901 99 L HN 0.014 8.173 8.230 -0.118 0.000 0.433 100 Y N -3.958 116.270 120.300 -0.121 0.000 2.403 100 Y HA 0.025 4.570 4.550 -0.009 0.000 0.323 100 Y C -1.171 174.710 175.900 -0.031 0.000 1.226 100 Y CA -0.396 57.669 58.100 -0.057 0.000 1.235 100 Y CB 1.797 40.216 38.460 -0.068 0.000 1.248 100 Y HN -0.574 7.688 8.280 -0.021 0.006 0.489 101 K N -2.777 117.731 120.400 0.179 0.000 2.466 101 K HA 0.568 5.069 4.320 0.089 -0.128 0.277 101 K C -2.035 174.634 176.600 0.115 0.000 1.039 101 K CA -1.995 54.356 56.287 0.106 0.000 0.904 101 K CB 4.438 36.971 32.500 0.055 0.000 1.506 101 K HN 0.413 8.802 8.250 0.232 0.000 0.441 102 E N -3.294 116.958 120.200 0.087 0.000 2.403 102 E HA 0.408 4.928 4.350 0.088 -0.117 0.280 102 E C -1.853 174.792 176.600 0.075 0.000 1.101 102 E CA -1.036 55.418 56.400 0.090 0.000 0.856 102 E CB 3.257 33.024 29.700 0.112 0.000 1.303 102 E HN 0.104 8.505 8.360 0.068 0.000 0.441 103 T N -2.550 112.053 114.554 0.081 0.000 2.910 103 T HA 0.167 4.548 4.350 0.052 0.000 0.293 103 T C -0.400 174.356 174.700 0.094 0.000 1.015 103 T CA -0.562 61.582 62.100 0.072 0.000 1.094 103 T CB 1.292 70.204 68.868 0.074 0.000 0.968 103 T HN 0.585 8.771 8.240 0.090 0.108 0.521 104 N N 3.748 122.489 118.700 0.069 0.000 2.844 104 N HA 0.341 5.156 4.740 0.126 0.000 0.268 104 N C -1.448 174.098 175.510 0.059 0.000 1.574 104 N CA -0.281 52.813 53.050 0.074 0.000 0.838 104 N CB 1.361 39.862 38.487 0.024 0.000 1.177 104 N HN 0.461 8.868 8.380 0.044 0.000 0.495 105 T N 4.825 119.446 114.554 0.112 0.000 2.806 105 T HA 0.414 4.933 4.350 0.027 -0.153 0.290 105 T C -1.289 173.497 174.700 0.145 0.000 0.966 105 T CA 0.803 62.958 62.100 0.092 0.000 1.060 105 T CB 1.037 69.967 68.868 0.103 0.000 0.927 105 T HN -0.287 8.044 8.240 0.152 0.000 0.485 106 I N 6.559 127.166 120.570 0.063 0.000 2.362 106 I HA 0.268 4.751 4.170 0.278 -0.146 0.289 106 I C -0.706 175.541 176.117 0.217 0.000 0.994 106 I CA -2.593 58.790 61.300 0.137 0.000 1.158 106 I CB -0.365 37.611 38.000 -0.040 0.000 1.315 106 I HN 1.052 9.241 8.210 -0.036 0.000 0.451 107 L N 6.762 128.180 121.223 0.325 0.000 2.408 107 L HA 0.201 4.900 4.340 0.364 -0.141 0.215 107 L C -0.235 176.928 176.870 0.488 0.000 1.081 107 L CA 0.458 55.514 54.840 0.360 0.000 0.840 107 L CB 0.914 43.109 42.059 0.227 0.000 1.002 107 L HN 0.412 8.835 8.230 0.322 0.000 0.468 108 S N -5.837 110.180 115.700 0.527 0.000 2.565 108 S HA 0.315 5.219 4.470 0.512 -0.126 0.269 108 S C -2.220 172.804 174.600 0.707 0.000 1.153 108 S CA -0.734 57.780 58.200 0.523 0.000 0.835 108 S CB 2.337 65.727 63.200 0.316 0.000 1.122 108 S HN -0.879 7.730 8.310 0.498 0.000 0.462 109 W N 2.979 124.570 121.300 0.485 0.000 3.615 109 W HA 0.639 5.772 4.660 0.477 -0.187 0.319 109 W C -2.700 174.065 176.519 0.411 0.000 1.172 109 W CA -0.432 57.227 57.345 0.523 0.000 1.240 109 W CB 3.875 33.739 29.460 0.673 0.000 1.313 109 W HN 0.844 9.417 8.180 0.656 0.000 0.487 110 S N 6.131 122.020 115.700 0.315 0.000 2.570 110 S HA 0.911 5.267 4.470 -0.440 -0.150 0.286 110 S C -2.364 172.044 174.600 -0.321 0.000 1.099 110 S CA -1.712 56.382 58.200 -0.177 0.000 0.913 110 S CB 3.357 66.531 63.200 -0.042 0.000 1.085 110 S HN 0.937 9.589 8.310 0.570 0.000 0.480 111 F N 1.376 120.701 119.950 -1.042 0.000 2.608 111 F HA 0.773 5.252 4.527 -0.381 -0.180 0.309 111 F C -2.309 173.130 175.800 -0.601 0.000 1.103 111 F CA -0.491 56.996 58.000 -0.854 0.000 0.954 111 F CB 4.453 42.637 39.000 -1.360 0.000 1.267 111 F HN 0.697 8.303 8.300 -1.156 0.000 0.444 112 T N 9.331 123.262 114.554 -1.039 0.000 2.991 112 T HA 0.747 5.071 4.350 -0.399 -0.214 0.303 112 T C -1.763 172.478 174.700 -0.766 0.000 1.015 112 T CA -0.875 60.855 62.100 -0.617 0.000 1.007 112 T CB 2.483 71.207 68.868 -0.240 0.000 1.034 112 T HN 0.580 8.073 8.240 -1.246 0.000 0.446 113 S N 6.080 121.513 115.700 -0.445 0.000 2.526 113 S HA 0.982 5.562 4.470 -0.122 -0.183 0.293 113 S C -1.590 172.989 174.600 -0.034 0.000 1.092 113 S CA -1.747 56.359 58.200 -0.157 0.000 0.980 113 S CB 2.962 66.212 63.200 0.083 0.000 1.048 113 S HN 0.892 9.041 8.310 -0.268 0.000 0.483 114 K N 1.635 122.032 120.400 -0.005 0.000 2.464 114 K HA 0.795 5.291 4.320 -0.009 -0.181 0.253 114 K C -1.764 174.824 176.600 -0.020 0.000 0.933 114 K CA -0.816 55.460 56.287 -0.017 0.000 0.801 114 K CB 4.693 37.166 32.500 -0.044 0.000 1.271 114 K HN 0.784 9.048 8.250 0.023 0.000 0.430 115 L N 2.901 124.098 121.223 -0.043 0.000 2.372 115 L HA 0.515 4.931 4.340 -0.094 -0.132 0.273 115 L C -1.815 175.004 176.870 -0.085 0.000 0.989 115 L CA -1.063 53.722 54.840 -0.091 0.000 0.841 115 L CB 2.804 44.772 42.059 -0.152 0.000 1.225 115 L HN 0.926 9.138 8.230 -0.030 0.000 0.414 116 K N 4.581 124.927 120.400 -0.090 0.000 2.263 116 K HA 0.472 4.753 4.320 -0.065 0.000 0.272 116 K C -0.970 175.571 176.600 -0.099 0.000 1.033 116 K CA -0.834 55.404 56.287 -0.081 0.000 0.884 116 K CB 1.334 33.790 32.500 -0.074 0.000 1.107 116 K HN 0.941 9.134 8.250 -0.094 0.000 0.460 117 S N 5.083 120.729 115.700 -0.090 0.000 2.681 117 S HA 0.189 4.741 4.470 -0.126 -0.158 0.270 117 S C 0.358 174.910 174.600 -0.081 0.000 1.209 117 S CA -0.326 57.816 58.200 -0.097 0.000 0.988 117 S CB 1.422 64.573 63.200 -0.081 0.000 1.006 117 S HN 0.079 8.346 8.310 -0.072 0.000 0.558 118 N N 0.434 119.088 118.700 -0.077 0.000 2.461 118 N HA 0.034 4.732 4.740 -0.070 0.000 0.188 118 N C 0.123 175.600 175.510 -0.054 0.000 1.134 118 N CA 0.426 53.437 53.050 -0.065 0.000 0.878 118 N CB 0.062 38.514 38.487 -0.058 0.000 0.972 118 N HN -0.203 8.127 8.380 -0.083 0.000 0.456 119 S N 1.079 116.752 115.700 -0.046 0.000 2.584 119 S HA 0.068 4.522 4.470 -0.026 0.000 0.273 119 S C 0.307 174.885 174.600 -0.036 0.000 1.311 119 S CA 0.660 58.842 58.200 -0.029 0.000 1.034 119 S CB 0.948 64.141 63.200 -0.013 0.000 0.939 119 S HN -0.845 7.361 8.310 -0.049 0.075 0.513 120 T N 5.331 119.868 114.554 -0.028 0.000 2.871 120 T HA -0.105 4.156 4.350 -0.147 0.000 0.296 120 T C -0.098 174.612 174.700 0.016 0.000 0.998 120 T CA 1.544 63.606 62.100 -0.063 0.000 1.162 120 T CB -0.000 68.860 68.868 -0.013 0.000 0.947 120 T HN 0.264 8.496 8.240 -0.013 0.000 0.536 121 H N -1.387 117.669 119.070 -0.023 0.000 3.612 121 H HA -0.268 4.273 4.556 -0.026 0.000 0.212 121 H C -0.790 174.525 175.328 -0.022 0.000 1.041 121 H CA 1.370 57.404 56.048 -0.023 0.000 1.205 121 H CB -0.896 28.855 29.762 -0.018 0.000 1.159 121 H HN 0.273 8.327 8.280 -0.376 0.000 0.323 122 E N 1.471 121.702 120.200 0.051 0.000 2.081 122 E HA -0.042 4.333 4.350 0.041 0.000 0.270 122 E C -1.189 175.411 176.600 0.000 0.000 1.180 122 E CA 0.394 56.808 56.400 0.025 0.000 0.926 122 E CB -0.238 29.463 29.700 0.002 0.000 1.035 122 E HN -0.498 7.659 8.360 0.018 0.214 0.418 123 T N 6.325 120.886 114.554 0.012 0.000 2.971 123 T HA 0.467 4.964 4.350 -0.023 -0.161 0.304 123 T C -1.262 173.444 174.700 0.009 0.000 1.038 123 T CA -1.579 60.519 62.100 -0.004 0.000 1.007 123 T CB 2.004 70.869 68.868 -0.004 0.000 1.055 123 T HN -0.251 8.006 8.240 0.028 0.000 0.451 124 N N 8.106 126.808 118.700 0.004 0.000 2.405 124 N HA 0.360 5.128 4.740 0.046 0.000 0.299 124 N C -2.137 173.392 175.510 0.032 0.000 1.075 124 N CA -0.846 52.224 53.050 0.032 0.000 0.884 124 N CB 2.562 41.076 38.487 0.046 0.000 1.194 124 N HN 0.588 8.958 8.380 -0.018 0.000 0.491 125 A N 1.804 124.657 122.820 0.056 0.000 2.572 125 A HA 0.743 5.258 4.320 0.042 -0.169 0.295 125 A C -2.318 175.324 177.584 0.097 0.000 1.072 125 A CA -0.741 51.328 52.037 0.052 0.000 0.691 125 A CB 3.337 22.346 19.000 0.016 0.000 1.291 125 A HN 0.170 8.362 8.150 0.070 0.000 0.404 126 L N 0.968 122.254 121.223 0.104 0.000 2.436 126 L HA 0.516 4.956 4.340 0.166 0.000 0.268 126 L C -2.802 174.131 176.870 0.105 0.000 0.974 126 L CA -0.233 54.702 54.840 0.158 0.000 0.826 126 L CB 3.744 45.959 42.059 0.260 0.000 1.291 126 L HN 0.359 8.626 8.230 0.062 0.000 0.406 127 H N 6.186 125.238 119.070 -0.030 0.000 2.947 127 H HA 1.034 5.635 4.556 -0.301 -0.226 0.354 127 H C -1.521 173.714 175.328 -0.155 0.000 1.085 127 H CA -1.315 54.629 56.048 -0.174 0.000 1.253 127 H CB 2.676 32.341 29.762 -0.162 0.000 1.757 127 H HN 0.096 8.463 8.280 0.145 0.000 0.523 128 F N 2.400 121.738 119.950 -1.021 0.000 2.599 128 F HA 0.345 4.344 4.527 -0.880 0.000 0.311 128 F C -2.624 172.501 175.800 -1.124 0.000 1.076 128 F CA -1.806 55.554 58.000 -1.066 0.000 0.937 128 F CB 3.516 41.806 39.000 -1.183 0.000 1.282 128 F HN 0.594 8.066 8.300 -1.379 0.000 0.460 129 M N 2.228 121.416 119.600 -0.687 0.000 2.238 129 M HA 0.443 4.873 4.480 -0.344 -0.157 0.278 129 M C -2.308 173.727 176.300 -0.441 0.000 1.040 129 M CA -0.244 54.791 55.300 -0.441 0.000 0.969 129 M CB 3.333 35.800 32.600 -0.221 0.000 1.694 129 M HN -0.003 7.896 8.290 -0.651 0.000 0.472 130 F N 4.521 124.466 119.950 -0.010 0.000 2.449 130 F HA 0.363 4.763 4.527 -0.211 0.000 0.342 130 F C -1.126 174.570 175.800 -0.173 0.000 1.127 130 F CA -0.512 57.372 58.000 -0.194 0.000 0.975 130 F CB 1.764 40.515 39.000 -0.415 0.000 1.146 130 F HN 1.026 9.304 8.300 0.142 0.108 0.444 131 N N 0.446 119.141 118.700 -0.007 0.000 2.171 131 N HA 0.137 4.941 4.740 0.107 0.000 0.212 131 N C -1.502 174.006 175.510 -0.004 0.000 1.184 131 N CA -0.024 53.048 53.050 0.036 0.000 0.888 131 N CB 2.630 41.149 38.487 0.053 0.000 1.038 131 N HN 0.453 8.816 8.380 -0.027 0.000 0.517 132 Q N -1.955 117.748 119.800 -0.161 0.000 2.403 132 Q HA 0.181 4.693 4.340 0.068 -0.131 0.267 132 Q C -2.288 173.552 176.000 -0.266 0.000 0.991 132 Q CA -0.570 55.186 55.803 -0.078 0.000 0.906 132 Q CB 2.727 31.476 28.738 0.018 0.000 1.422 132 Q HN -0.740 7.302 8.270 -0.271 0.065 0.400 133 F N 4.208 124.225 119.950 0.112 0.000 2.508 133 F HA 0.367 5.075 4.527 0.068 -0.140 0.325 133 F C -0.492 175.336 175.800 0.047 0.000 1.090 133 F CA -1.237 56.798 58.000 0.058 0.000 0.945 133 F CB 2.826 41.828 39.000 0.003 0.000 1.156 133 F HN 0.662 9.053 8.300 0.350 0.119 0.463 134 S N 2.561 118.376 115.700 0.192 0.000 2.687 134 S HA 0.306 4.841 4.470 0.109 0.000 0.283 134 S C 0.287 174.946 174.600 0.098 0.000 1.170 134 S CA -1.612 56.659 58.200 0.119 0.000 1.008 134 S CB 1.792 65.042 63.200 0.084 0.000 1.026 134 S HN 0.645 9.498 8.310 0.187 -0.431 0.541 135 K N -0.663 119.776 120.400 0.065 0.000 2.097 135 K HA -0.241 4.304 4.320 0.043 -0.200 0.206 135 K C 0.888 177.506 176.600 0.030 0.000 1.049 135 K CA 1.780 58.093 56.287 0.043 0.000 0.933 135 K CB 0.081 32.599 32.500 0.031 0.000 0.717 135 K HN 0.103 8.389 8.250 0.060 0.000 0.442 136 D N -0.835 119.583 120.400 0.029 0.000 2.460 136 D HA 0.031 4.674 4.640 0.006 0.000 0.268 136 D C -1.398 174.913 176.300 0.017 0.000 1.153 136 D CA -0.789 53.219 54.000 0.013 0.000 0.929 136 D CB -0.457 40.346 40.800 0.004 0.000 1.015 136 D HN -0.351 8.027 8.370 0.036 0.013 0.502 137 Q N 5.060 124.874 119.800 0.023 0.000 2.571 137 Q HA 0.149 4.518 4.340 0.049 0.000 0.222 137 Q C 0.579 176.569 176.000 -0.017 0.000 1.167 137 Q CA -1.531 54.292 55.803 0.032 0.000 0.966 137 Q CB -0.206 28.568 28.738 0.060 0.000 1.274 137 Q HN 0.370 8.652 8.270 0.021 0.000 0.552 138 K N 5.056 125.424 120.400 -0.054 0.000 2.362 138 K HA -0.203 4.034 4.320 -0.138 0.000 0.200 138 K C -0.267 176.170 176.600 -0.272 0.000 1.046 138 K CA 1.795 57.990 56.287 -0.153 0.000 0.952 138 K CB -0.115 32.280 32.500 -0.174 0.000 0.753 138 K HN 0.044 8.275 8.250 -0.033 0.000 0.466 139 D N -3.972 116.334 120.400 -0.157 0.000 2.325 139 D HA -0.004 4.365 4.640 -0.452 0.000 0.225 139 D C -1.433 174.785 176.300 -0.137 0.000 1.096 139 D CA -0.227 53.640 54.000 -0.221 0.000 0.844 139 D CB -1.048 39.708 40.800 -0.074 0.000 0.925 139 D HN -0.177 8.121 8.370 -0.043 0.046 0.513 140 L N -1.263 119.936 121.223 -0.039 0.000 2.381 140 L HA 0.662 5.183 4.340 0.028 -0.163 0.268 140 L C -0.779 176.124 176.870 0.056 0.000 0.997 140 L CA -1.372 53.480 54.840 0.020 0.000 0.818 140 L CB 3.762 45.825 42.059 0.007 0.000 1.310 140 L HN -0.712 7.402 8.230 -0.055 0.083 0.416 141 I N 3.276 123.887 120.570 0.068 0.000 2.307 141 I HA 0.160 4.373 4.170 0.071 0.000 0.289 141 I C -1.378 174.754 176.117 0.024 0.000 1.021 141 I CA -0.760 60.572 61.300 0.054 0.000 1.224 141 I CB 0.970 38.981 38.000 0.019 0.000 1.376 141 I HN 0.849 8.988 8.210 0.064 0.109 0.470 142 L N 7.833 129.059 121.223 0.006 0.000 2.289 142 L HA 0.464 4.949 4.340 -0.021 -0.158 0.285 142 L C -0.414 176.445 176.870 -0.019 0.000 1.049 142 L CA -0.775 54.055 54.840 -0.016 0.000 0.804 142 L CB 0.851 42.892 42.059 -0.030 0.000 1.195 142 L HN 0.451 8.687 8.230 0.011 0.000 0.428 143 Q N 2.084 121.868 119.800 -0.028 0.000 2.377 143 Q HA 0.327 4.648 4.340 -0.031 0.000 0.271 143 Q C 0.019 175.990 176.000 -0.048 0.000 1.077 143 Q CA -1.375 54.408 55.803 -0.034 0.000 0.820 143 Q CB 3.886 32.604 28.738 -0.033 0.000 1.347 143 Q HN 0.687 8.938 8.270 -0.032 0.000 0.444 144 G N 3.709 112.481 108.800 -0.047 0.000 2.556 144 G HA2 -0.481 3.451 3.960 -0.047 0.000 0.283 144 G HA3 -0.481 3.571 3.960 -0.059 -0.128 0.283 144 G C -0.396 174.477 174.900 -0.046 0.000 1.177 144 G CA 0.893 45.963 45.100 -0.051 0.000 0.978 144 G HN 0.521 8.785 8.290 -0.043 0.000 0.554 145 D N 3.404 123.775 120.400 -0.049 0.000 2.340 145 D HA 0.030 4.647 4.640 -0.038 0.000 0.220 145 D C -0.139 176.131 176.300 -0.050 0.000 1.039 145 D CA 0.355 54.328 54.000 -0.045 0.000 0.866 145 D CB 0.138 40.914 40.800 -0.041 0.000 0.913 145 D HN 0.032 8.259 8.370 -0.055 0.110 0.523 146 A N -0.184 122.599 122.820 -0.061 0.000 2.511 146 A HA 0.059 4.641 4.320 -0.083 -0.312 0.242 146 A C -0.534 177.008 177.584 -0.070 0.000 1.069 146 A CA 0.525 52.516 52.037 -0.077 0.000 0.763 146 A CB 0.429 19.373 19.000 -0.092 0.000 1.001 146 A HN -0.800 7.250 8.150 -0.061 0.063 0.498 147 T N 0.721 115.227 114.554 -0.080 0.000 2.883 147 T HA 0.315 4.633 4.350 -0.054 0.000 0.301 147 T C -1.130 173.518 174.700 -0.088 0.000 1.158 147 T CA -1.969 60.093 62.100 -0.064 0.000 1.007 147 T CB 2.446 71.291 68.868 -0.039 0.000 1.186 147 T HN 0.423 8.607 8.240 -0.094 0.000 0.499 148 T N -2.209 112.311 114.554 -0.057 0.000 2.924 148 T HA 0.615 5.064 4.350 -0.100 -0.159 0.291 148 T C 0.908 175.624 174.700 0.026 0.000 1.045 148 T CA -2.061 60.014 62.100 -0.041 0.000 1.015 148 T CB 3.620 72.490 68.868 0.003 0.000 1.103 148 T HN 0.195 8.415 8.240 -0.034 0.000 0.496 149 G N 0.990 109.836 108.800 0.077 0.000 2.284 149 G HA2 -0.305 3.863 3.960 0.111 0.000 0.216 149 G HA3 -0.305 3.690 3.960 0.059 0.000 0.216 149 G C -0.052 174.889 174.900 0.068 0.000 1.009 149 G CA 0.254 45.403 45.100 0.081 0.000 0.625 149 G HN 0.227 8.584 8.290 0.112 0.000 0.501 150 T N 6.501 121.084 114.554 0.049 0.000 2.750 150 T HA -0.084 4.291 4.350 0.041 0.000 0.286 150 T C -0.372 174.366 174.700 0.063 0.000 0.911 150 T CA 2.248 64.374 62.100 0.045 0.000 1.130 150 T CB -0.607 68.278 68.868 0.027 0.000 0.873 150 T HN -0.185 8.016 8.240 0.033 0.059 0.536 151 D N 4.511 124.951 120.400 0.066 0.000 3.076 151 D HA -0.341 4.338 4.640 0.066 0.000 0.218 151 D C 0.006 176.369 176.300 0.105 0.000 1.156 151 D CA 1.248 55.293 54.000 0.075 0.000 0.921 151 D CB -1.285 39.557 40.800 0.071 0.000 1.113 151 D HN 0.583 8.988 8.370 0.057 0.000 0.418 152 G N -4.424 104.450 108.800 0.123 0.000 2.148 152 G HA2 -0.466 3.799 3.960 0.179 0.000 0.254 152 G HA3 -0.466 3.588 3.960 0.157 0.000 0.254 152 G C -0.832 174.243 174.900 0.292 0.000 0.981 152 G CA 0.480 45.687 45.100 0.179 0.000 0.670 152 G HN -0.116 8.077 8.290 0.105 0.161 0.528 153 N N -1.129 117.701 118.700 0.217 0.000 2.483 153 N HA 0.377 5.362 4.740 0.409 0.000 0.285 153 N C -2.213 173.276 175.510 -0.035 0.000 1.210 153 N CA -0.909 52.260 53.050 0.200 0.000 0.931 153 N CB 3.071 41.628 38.487 0.118 0.000 1.220 153 N HN -0.466 7.831 8.380 0.143 0.169 0.542 154 L N 1.467 122.483 121.223 -0.344 0.000 2.280 154 L HA 0.406 4.620 4.340 -0.428 -0.131 0.287 154 L C -1.743 174.972 176.870 -0.259 0.000 1.023 154 L CA -1.054 53.458 54.840 -0.547 0.000 0.819 154 L CB 2.058 43.425 42.059 -1.152 0.000 1.212 154 L HN 0.359 8.436 8.230 -0.255 0.000 0.420 155 E N 7.287 127.389 120.200 -0.163 0.000 2.046 155 E HA 0.296 4.605 4.350 -0.067 0.000 0.279 155 E C 0.218 176.756 176.600 -0.104 0.000 0.989 155 E CA -1.362 54.983 56.400 -0.091 0.000 0.798 155 E CB -0.051 29.620 29.700 -0.048 0.000 1.086 155 E HN 0.657 8.922 8.360 -0.159 0.000 0.399 156 L N 4.346 125.506 121.223 -0.105 0.000 2.141 156 L HA -0.250 4.013 4.340 -0.128 0.000 0.209 156 L C -0.173 176.652 176.870 -0.074 0.000 1.094 156 L CA 3.081 57.857 54.840 -0.108 0.000 0.763 156 L CB 0.137 42.123 42.059 -0.121 0.000 0.908 156 L HN 0.061 8.235 8.230 -0.093 0.000 0.437 157 T N -7.702 106.822 114.554 -0.049 0.000 2.930 157 T HA 0.140 4.464 4.350 -0.044 0.000 0.290 157 T C -0.321 174.365 174.700 -0.025 0.000 1.052 157 T CA -2.405 59.673 62.100 -0.035 0.000 1.017 157 T CB 2.520 71.374 68.868 -0.023 0.000 1.137 157 T HN -0.737 7.479 8.240 -0.040 0.000 0.511 158 R N 1.777 122.264 120.500 -0.022 0.000 2.522 158 R HA -0.036 4.293 4.340 -0.018 0.000 0.284 158 R C -1.250 175.047 176.300 -0.005 0.000 1.032 158 R CA 0.490 56.580 56.100 -0.016 0.000 1.049 158 R CB 0.088 30.378 30.300 -0.017 0.000 0.956 158 R HN 0.351 8.606 8.270 -0.025 0.000 0.422 159 V N 3.905 123.818 119.914 -0.003 0.000 2.638 159 V HA 0.398 4.663 4.120 0.009 -0.140 0.306 159 V C -0.127 175.970 176.094 0.004 0.000 1.052 159 V CA -1.906 60.398 62.300 0.006 0.000 0.885 159 V CB 2.201 34.030 31.823 0.011 0.000 0.999 159 V HN 0.163 8.349 8.190 -0.006 0.000 0.424 160 S N 7.111 122.814 115.700 0.006 0.000 2.626 160 S HA 0.063 4.534 4.470 0.002 0.000 0.257 160 S C 1.554 176.158 174.600 0.008 0.000 1.288 160 S CA 0.146 58.349 58.200 0.005 0.000 0.980 160 S CB 1.270 64.473 63.200 0.004 0.000 0.975 160 S HN 0.879 9.087 8.310 0.008 0.107 0.577 161 S N 1.329 117.033 115.700 0.007 0.000 2.370 161 S HA -0.191 4.285 4.470 0.009 0.000 0.226 161 S C 0.409 175.016 174.600 0.012 0.000 1.033 161 S CA 2.543 60.748 58.200 0.009 0.000 1.011 161 S CB -0.491 62.713 63.200 0.007 0.000 0.852 161 S HN 0.555 8.868 8.310 0.005 0.000 0.457 162 N N -1.209 117.497 118.700 0.011 0.000 2.567 162 N HA -0.054 4.694 4.740 0.014 0.000 0.195 162 N C 0.473 175.993 175.510 0.017 0.000 1.242 162 N CA -0.130 52.928 53.050 0.013 0.000 0.884 162 N CB -0.756 37.738 38.487 0.012 0.000 1.007 162 N HN -0.420 7.966 8.380 0.009 0.000 0.450 163 G N -1.073 107.737 108.800 0.018 0.000 2.159 163 G HA2 -0.440 3.533 3.960 0.023 0.000 0.256 163 G HA3 -0.440 3.534 3.960 0.024 0.000 0.256 163 G C -0.582 174.332 174.900 0.024 0.000 0.977 163 G CA -0.058 45.055 45.100 0.022 0.000 0.652 163 G HN -0.316 7.773 8.290 0.015 0.210 0.531 164 S N 1.940 117.652 115.700 0.020 0.000 2.499 164 S HA 0.350 4.836 4.470 0.025 0.000 0.275 164 S C -1.670 172.942 174.600 0.020 0.000 1.257 164 S CA -2.438 55.775 58.200 0.021 0.000 1.050 164 S CB 0.746 63.956 63.200 0.016 0.000 0.937 164 S HN -0.569 7.690 8.310 0.016 0.060 0.490 165 P HA 0.192 4.756 4.420 0.020 -0.132 0.275 165 P C -1.177 176.134 177.300 0.017 0.000 1.227 165 P CA -0.301 62.814 63.100 0.025 0.000 0.781 165 P CB 0.958 32.681 31.700 0.039 0.000 0.906 166 Q N 2.436 122.241 119.800 0.008 0.000 2.214 166 Q HA 0.240 4.578 4.340 -0.003 0.000 0.251 166 Q C 0.058 176.054 176.000 -0.006 0.000 0.936 166 Q CA -1.630 54.172 55.803 -0.002 0.000 0.894 166 Q CB 1.989 30.722 28.738 -0.009 0.000 1.252 166 Q HN 0.085 8.359 8.270 0.007 0.000 0.448 167 G N -2.668 106.121 108.800 -0.017 0.000 2.557 167 G HA2 0.084 4.034 3.960 -0.016 0.000 0.292 167 G HA3 0.084 4.089 3.960 -0.042 -0.070 0.292 167 G C -0.921 173.959 174.900 -0.032 0.000 1.237 167 G CA -1.147 43.937 45.100 -0.027 0.000 0.978 167 G HN -0.133 8.145 8.290 -0.021 0.000 0.498 168 S N -1.428 114.249 115.700 -0.039 0.000 3.559 168 S HA -0.572 3.966 4.470 -0.041 -0.092 0.369 168 S C -1.399 173.180 174.600 -0.035 0.000 0.987 168 S CA 0.969 59.145 58.200 -0.039 0.000 1.187 168 S CB -0.969 62.206 63.200 -0.042 0.000 0.914 168 S HN 0.036 8.265 8.310 -0.043 0.056 0.480 169 S N -0.660 115.021 115.700 -0.032 0.000 2.536 169 S HA 0.390 4.940 4.470 -0.036 -0.101 0.298 169 S C -2.115 172.460 174.600 -0.041 0.000 1.083 169 S CA -1.186 56.993 58.200 -0.034 0.000 0.995 169 S CB 3.157 66.341 63.200 -0.027 0.000 1.058 169 S HN -0.528 7.765 8.310 -0.028 0.000 0.488 170 V N 4.621 124.505 119.914 -0.051 0.000 2.851 170 V HA 0.762 5.024 4.120 -0.067 -0.182 0.307 170 V C -2.372 173.678 176.094 -0.073 0.000 1.129 170 V CA -1.754 60.506 62.300 -0.066 0.000 0.932 170 V CB 4.199 35.976 31.823 -0.075 0.000 1.024 170 V HN -0.245 8.133 8.190 -0.048 -0.216 0.426 171 G N 5.925 114.674 108.800 -0.085 0.000 2.720 171 G HA2 0.738 4.803 3.960 -0.078 0.000 0.295 171 G HA3 0.738 4.897 3.960 -0.078 -0.245 0.295 171 G C -3.250 171.593 174.900 -0.096 0.000 1.437 171 G CA 0.216 45.266 45.100 -0.084 0.000 0.886 171 G HN 0.253 8.488 8.290 -0.092 0.000 0.509 172 R N -1.061 119.392 120.500 -0.078 0.000 2.774 172 R HA 0.993 5.458 4.340 -0.061 -0.162 0.272 172 R C -2.360 173.921 176.300 -0.032 0.000 1.000 172 R CA -1.930 54.144 56.100 -0.043 0.000 0.906 172 R CB 5.392 35.692 30.300 -0.000 0.000 1.227 172 R HN 0.469 8.698 8.270 -0.068 0.000 0.468 173 A N 1.000 123.800 122.820 -0.033 0.000 2.353 173 A HA 0.950 5.471 4.320 -0.000 -0.201 0.299 173 A C -2.579 175.036 177.584 0.052 0.000 1.089 173 A CA -1.285 50.740 52.037 -0.020 0.000 0.736 173 A CB 3.161 22.108 19.000 -0.089 0.000 1.195 173 A HN 0.787 8.917 8.150 -0.033 0.000 0.447 174 L N 2.154 123.439 121.223 0.103 0.000 2.342 174 L HA 0.723 5.299 4.340 0.146 -0.148 0.271 174 L C -1.034 175.947 176.870 0.185 0.000 1.008 174 L CA -1.232 53.682 54.840 0.124 0.000 0.818 174 L CB 3.774 45.846 42.059 0.021 0.000 1.296 174 L HN 0.626 8.901 8.230 0.076 0.000 0.427 175 F N 1.884 121.848 119.950 0.023 0.000 2.484 175 F HA 0.017 4.559 4.527 -0.160 -0.111 0.360 175 F C 0.057 175.831 175.800 -0.044 0.000 1.101 175 F CA -0.027 57.873 58.000 -0.166 0.000 1.251 175 F CB 1.643 40.331 39.000 -0.520 0.000 1.132 175 F HN -0.086 8.410 8.300 0.327 0.000 0.570 176 Y N 8.971 128.748 120.300 -0.872 0.000 2.128 176 Y HA -0.450 3.903 4.550 -0.328 0.000 0.284 176 Y C -0.689 174.955 175.900 -0.427 0.000 1.154 176 Y CA 3.836 61.589 58.100 -0.579 0.000 1.149 176 Y CB 0.579 38.697 38.460 -0.570 0.000 0.976 176 Y HN 0.232 7.943 8.280 -0.948 0.000 0.505 177 A N -3.466 119.100 122.820 -0.424 0.000 2.401 177 A HA 0.235 4.498 4.320 -0.096 0.000 0.259 177 A C -2.312 175.341 177.584 0.115 0.000 1.103 177 A CA -2.395 49.612 52.037 -0.051 0.000 0.789 177 A CB -0.634 18.467 19.000 0.169 0.000 1.035 177 A HN -0.081 7.414 8.150 -1.092 0.000 0.491 178 P HA 0.033 4.645 4.420 0.154 -0.100 0.272 178 P C -1.330 176.237 177.300 0.445 0.000 1.230 178 P CA -0.341 62.886 63.100 0.210 0.000 0.788 178 P CB 0.576 32.339 31.700 0.105 0.000 0.949 179 V N 0.579 120.771 119.914 0.463 0.000 2.495 179 V HA 0.273 4.670 4.120 0.462 0.000 0.298 179 V C -1.164 175.105 176.094 0.291 0.000 1.031 179 V CA -1.865 60.683 62.300 0.414 0.000 0.871 179 V CB 3.116 35.121 31.823 0.304 0.000 0.988 179 V HN 0.969 9.280 8.190 0.383 0.109 0.432 180 H N 8.034 127.014 119.070 -0.150 0.000 2.705 180 H HA 0.176 4.195 4.556 -1.127 -0.139 0.291 180 H C 0.353 175.534 175.328 -0.246 0.000 1.085 180 H CA -0.800 54.811 56.048 -0.728 0.000 1.357 180 H CB 0.033 29.162 29.762 -1.055 0.000 1.419 180 H HN 0.420 8.820 8.280 0.201 0.000 0.462 181 I N 0.923 121.472 120.570 -0.035 0.000 4.018 181 I HA 0.253 4.477 4.170 0.089 0.000 0.337 181 I C -1.464 174.705 176.117 0.086 0.000 1.327 181 I CA -0.517 60.828 61.300 0.075 0.000 1.100 181 I CB 1.355 39.469 38.000 0.191 0.000 1.025 181 I HN -0.012 8.193 8.210 -0.008 0.000 0.396 182 W N 0.232 121.353 121.300 -0.299 0.000 3.372 182 W HA 0.044 4.595 4.660 -0.182 0.000 0.315 182 W C -2.736 173.515 176.519 -0.446 0.000 1.223 182 W CA -0.266 56.930 57.345 -0.249 0.000 1.202 182 W CB 3.263 32.672 29.460 -0.085 0.000 1.367 182 W HN -0.846 7.209 8.180 -0.208 0.000 0.531 183 E N 4.208 123.614 120.200 -1.325 0.000 2.343 183 E HA 0.338 4.154 4.350 -0.891 0.000 0.278 183 E C 0.838 176.463 176.600 -1.625 0.000 0.910 183 E CA -1.040 54.638 56.400 -1.204 0.000 0.757 183 E CB 2.809 32.071 29.700 -0.730 0.000 1.218 183 E HN -0.255 7.175 8.360 -1.550 0.000 0.435 184 S N 5.562 120.517 115.700 -1.241 0.000 2.419 184 S HA -0.240 3.690 4.470 -0.900 0.000 0.235 184 S C 0.547 174.910 174.600 -0.396 0.000 1.019 184 S CA 2.639 60.409 58.200 -0.717 0.000 0.982 184 S CB -0.103 62.999 63.200 -0.163 0.000 0.789 184 S HN 0.748 8.551 8.310 -0.845 0.000 0.490 185 S N -0.352 115.140 115.700 -0.346 0.000 2.572 185 S HA 0.151 4.525 4.470 -0.160 0.000 0.228 185 S C -0.533 173.933 174.600 -0.224 0.000 0.963 185 S CA -0.836 57.237 58.200 -0.211 0.000 0.939 185 S CB 1.181 64.302 63.200 -0.132 0.000 0.804 185 S HN -0.358 8.039 8.310 -0.381 -0.316 0.480 186 A N 1.759 124.378 122.820 -0.335 0.000 2.409 186 A HA -0.049 4.276 4.320 -0.211 -0.131 0.262 186 A C 0.428 177.902 177.584 -0.184 0.000 1.113 186 A CA 0.507 52.381 52.037 -0.271 0.000 0.790 186 A CB 0.611 19.392 19.000 -0.364 0.000 1.046 186 A HN -0.456 7.220 8.150 -0.498 0.175 0.496 187 V N 0.750 120.587 119.914 -0.127 0.000 3.307 187 V HA 0.185 4.258 4.120 -0.077 0.000 0.253 187 V C -0.761 175.287 176.094 -0.077 0.000 1.149 187 V CA -0.058 62.190 62.300 -0.088 0.000 1.112 187 V CB 0.916 32.693 31.823 -0.076 0.000 0.777 187 V HN 0.871 8.875 8.190 -0.125 0.110 0.464 188 V N -0.578 119.284 119.914 -0.086 0.000 2.711 188 V HA 0.266 4.346 4.120 -0.067 0.000 0.304 188 V C -2.364 173.688 176.094 -0.070 0.000 1.097 188 V CA -1.292 60.962 62.300 -0.075 0.000 0.906 188 V CB 2.837 34.612 31.823 -0.080 0.000 1.015 188 V HN -0.730 7.399 8.190 -0.101 0.000 0.427 189 A N 7.307 130.104 122.820 -0.038 0.000 2.371 189 A HA 1.088 5.609 4.320 -0.018 -0.211 0.311 189 A C -1.699 175.906 177.584 0.036 0.000 1.068 189 A CA -1.983 50.060 52.037 0.010 0.000 0.744 189 A CB 3.751 22.790 19.000 0.066 0.000 1.239 189 A HN 0.908 9.038 8.150 -0.034 0.000 0.435 190 S N 0.556 116.287 115.700 0.052 0.000 2.596 190 S HA 0.856 5.435 4.470 0.012 -0.102 0.270 190 S C -2.028 172.633 174.600 0.103 0.000 1.155 190 S CA -1.178 57.029 58.200 0.012 0.000 0.827 190 S CB 3.317 66.456 63.200 -0.103 0.000 1.130 190 S HN 0.610 8.951 8.310 0.052 0.000 0.467 191 F N -4.707 115.270 119.950 0.045 0.000 2.645 191 F HA 1.089 5.652 4.527 -0.263 -0.194 0.310 191 F C -2.479 173.267 175.800 -0.090 0.000 1.102 191 F CA -1.520 56.418 58.000 -0.104 0.000 0.952 191 F CB 4.061 43.055 39.000 -0.010 0.000 1.326 191 F HN 0.499 8.611 8.300 -0.312 0.000 0.456 192 E N -2.169 118.057 120.200 0.044 0.000 2.308 192 E HA 0.904 5.533 4.350 0.121 -0.207 0.275 192 E C -2.290 174.339 176.600 0.049 0.000 0.890 192 E CA -1.948 54.482 56.400 0.049 0.000 0.754 192 E CB 4.237 33.905 29.700 -0.054 0.000 1.207 192 E HN 0.512 8.744 8.360 -0.213 0.000 0.426 193 A N 3.033 125.943 122.820 0.149 0.000 2.435 193 A HA 0.983 5.577 4.320 0.177 -0.168 0.304 193 A C -1.760 175.913 177.584 0.149 0.000 1.064 193 A CA -1.602 50.524 52.037 0.148 0.000 0.727 193 A CB 4.123 23.071 19.000 -0.085 0.000 1.284 193 A HN 1.057 9.195 8.150 0.157 0.106 0.415 194 T N 3.360 118.071 114.554 0.262 0.000 2.952 194 T HA 1.095 5.695 4.350 0.021 -0.238 0.305 194 T C -1.726 173.219 174.700 0.409 0.000 1.064 194 T CA -0.639 61.578 62.100 0.196 0.000 1.008 194 T CB 3.113 72.097 68.868 0.193 0.000 1.078 194 T HN 0.493 8.940 8.240 0.345 0.000 0.459 195 F N 1.336 121.366 119.950 0.135 0.000 2.619 195 F HA 0.759 5.607 4.527 0.323 -0.127 0.308 195 F C -2.651 173.253 175.800 0.174 0.000 1.097 195 F CA -1.936 56.199 58.000 0.225 0.000 0.953 195 F CB 3.236 42.334 39.000 0.165 0.000 1.287 195 F HN 0.673 8.781 8.300 -0.320 0.000 0.446 196 T N -0.549 114.203 114.554 0.331 0.000 2.855 196 T HA 0.862 5.292 4.350 -0.118 -0.151 0.281 196 T C -0.940 173.945 174.700 0.308 0.000 1.007 196 T CA -2.106 60.058 62.100 0.107 0.000 1.009 196 T CB 2.304 71.188 68.868 0.025 0.000 0.983 196 T HN 0.267 8.780 8.240 0.455 0.000 0.455 197 F N -0.548 119.493 119.950 0.151 0.000 2.629 197 F HA 1.078 5.904 4.527 0.206 -0.175 0.316 197 F C -3.026 172.879 175.800 0.176 0.000 1.081 197 F CA -2.775 55.345 58.000 0.201 0.000 0.954 197 F CB 3.585 42.747 39.000 0.269 0.000 1.337 197 F HN 0.578 8.424 8.300 -0.757 0.000 0.474 198 L N 0.599 122.027 121.223 0.342 0.000 2.415 198 L HA 0.512 4.977 4.340 0.209 0.000 0.268 198 L C -2.053 175.004 176.870 0.311 0.000 0.984 198 L CA -0.982 54.008 54.840 0.251 0.000 0.853 198 L CB 2.949 45.100 42.059 0.153 0.000 1.215 198 L HN 0.468 8.930 8.230 0.387 0.000 0.419 199 I N 6.149 126.950 120.570 0.386 0.000 2.312 199 I HA 0.541 5.089 4.170 0.244 -0.231 0.290 199 I C -1.654 174.578 176.117 0.192 0.000 1.008 199 I CA -1.024 60.455 61.300 0.298 0.000 1.226 199 I CB 1.457 39.675 38.000 0.363 0.000 1.371 199 I HN 0.357 8.842 8.210 0.459 0.000 0.468 200 K N 8.924 129.406 120.400 0.136 0.000 2.427 200 K HA 0.779 5.360 4.320 0.078 -0.214 0.252 200 K C -2.025 174.621 176.600 0.077 0.000 0.931 200 K CA -2.122 54.219 56.287 0.090 0.000 0.793 200 K CB 3.552 36.098 32.500 0.077 0.000 1.211 200 K HN 0.118 8.449 8.250 0.135 0.000 0.426 201 S N 3.601 119.337 115.700 0.060 0.000 2.540 201 S HA 0.398 4.908 4.470 0.066 0.000 0.275 201 S C -1.988 172.640 174.600 0.047 0.000 1.123 201 S CA -3.488 54.749 58.200 0.063 0.000 0.907 201 S CB 1.721 64.969 63.200 0.081 0.000 1.081 201 S HN 0.115 8.743 8.310 0.047 -0.290 0.476 202 P HA 0.119 4.556 4.420 0.028 0.000 0.231 202 P C -1.124 176.202 177.300 0.043 0.000 1.168 202 P CA 0.338 63.461 63.100 0.039 0.000 0.779 202 P CB 0.404 32.127 31.700 0.039 0.000 0.844 203 D N -0.355 120.086 120.400 0.067 0.000 2.340 203 D HA 0.164 4.850 4.640 0.077 0.000 0.251 203 D C 0.670 176.989 176.300 0.033 0.000 1.080 203 D CA -0.441 53.612 54.000 0.087 0.000 0.971 203 D CB 0.947 41.855 40.800 0.181 0.000 1.137 203 D HN -0.538 7.832 8.370 0.079 0.047 0.475 204 S N -0.765 114.921 115.700 -0.023 0.000 2.489 204 S HA -0.071 4.302 4.470 -0.162 0.000 0.228 204 S C -0.801 173.566 174.600 -0.390 0.000 0.995 204 S CA 1.844 59.913 58.200 -0.218 0.000 0.934 204 S CB 0.315 63.325 63.200 -0.317 0.000 0.771 204 S HN 0.233 8.565 8.310 0.036 0.000 0.522 205 H N 0.508 119.610 119.070 0.054 0.000 2.645 205 H HA 0.426 4.956 4.556 -0.045 0.000 0.257 205 H C -2.742 172.650 175.328 0.107 0.000 1.269 205 H CA -3.203 52.850 56.048 0.009 0.000 1.409 205 H CB 0.303 29.990 29.762 -0.126 0.000 1.434 205 H HN -0.227 8.080 8.280 0.132 0.053 0.505 206 P HA 0.135 4.860 4.420 0.193 -0.189 0.276 206 P C -1.838 175.610 177.300 0.247 0.000 1.244 206 P CA -0.801 62.409 63.100 0.182 0.000 0.801 206 P CB 1.003 32.767 31.700 0.108 0.000 1.006 207 A N -3.165 119.780 122.820 0.209 0.000 2.608 207 A HA 0.196 4.648 4.320 0.220 0.000 0.292 207 A C -2.158 175.493 177.584 0.112 0.000 1.066 207 A CA -1.094 51.049 52.037 0.176 0.000 0.676 207 A CB 3.791 22.831 19.000 0.067 0.000 1.277 207 A HN -0.771 7.386 8.150 0.179 0.100 0.413 208 D N -2.486 117.964 120.400 0.083 0.000 2.454 208 D HA 0.181 4.903 4.640 0.137 0.000 0.219 208 D C -0.106 176.258 176.300 0.108 0.000 1.081 208 D CA 0.940 54.997 54.000 0.095 0.000 0.867 208 D CB 3.674 44.501 40.800 0.045 0.000 1.054 208 D HN 0.191 8.597 8.370 0.060 0.000 0.500 209 G N -2.772 106.078 108.800 0.084 0.000 2.369 209 G HA2 -0.011 4.081 3.960 0.123 0.000 0.307 209 G HA3 -0.011 4.061 3.960 0.070 -0.070 0.307 209 G C -3.240 171.668 174.900 0.015 0.000 1.327 209 G CA -0.290 44.855 45.100 0.076 0.000 0.963 209 G HN -0.779 7.613 8.290 0.070 -0.060 0.590 210 I N -1.265 119.289 120.570 -0.027 0.000 2.689 210 I HA 0.737 5.017 4.170 -0.085 -0.161 0.299 210 I C -2.488 173.581 176.117 -0.081 0.000 1.059 210 I CA -1.994 59.256 61.300 -0.084 0.000 1.055 210 I CB 4.732 42.656 38.000 -0.127 0.000 1.243 210 I HN -0.049 8.145 8.210 -0.027 0.000 0.425 211 A N 3.593 126.359 122.820 -0.090 0.000 2.486 211 A HA 0.833 5.332 4.320 0.038 -0.156 0.300 211 A C -2.403 175.179 177.584 -0.003 0.000 1.048 211 A CA -1.867 50.164 52.037 -0.010 0.000 0.696 211 A CB 4.008 23.005 19.000 -0.004 0.000 1.278 211 A HN 1.031 9.004 8.150 -0.130 0.100 0.405 212 F N 4.574 124.497 119.950 -0.046 0.000 2.408 212 F HA 0.816 5.306 4.527 -0.296 -0.140 0.344 212 F C -2.483 173.384 175.800 0.112 0.000 1.112 212 F CA -2.250 55.697 58.000 -0.089 0.000 1.096 212 F CB 2.845 41.884 39.000 0.065 0.000 1.129 212 F HN 0.069 8.541 8.300 0.287 0.000 0.486 213 F N 3.800 123.146 119.950 -1.006 0.000 2.643 213 F HA 0.938 5.295 4.527 -0.506 -0.133 0.314 213 F C -2.688 172.648 175.800 -0.772 0.000 1.096 213 F CA -3.099 54.480 58.000 -0.702 0.000 0.953 213 F CB 3.637 42.397 39.000 -0.400 0.000 1.345 213 F HN 0.800 8.249 8.300 -1.242 0.106 0.468 214 I N 0.048 120.413 120.570 -0.341 0.000 2.498 214 I HA 0.767 4.811 4.170 -0.497 -0.173 0.290 214 I C -1.366 174.742 176.117 -0.015 0.000 1.032 214 I CA -1.198 59.918 61.300 -0.306 0.000 1.073 214 I CB 3.526 41.396 38.000 -0.216 0.000 1.251 214 I HN 0.579 8.755 8.210 -0.057 0.000 0.426 215 S N 3.316 119.017 115.700 0.002 0.000 2.705 215 S HA 0.842 5.567 4.470 0.075 -0.210 0.280 215 S C -0.529 174.103 174.600 0.054 0.000 1.174 215 S CA -1.881 56.369 58.200 0.085 0.000 0.823 215 S CB 3.087 66.404 63.200 0.196 0.000 1.162 215 S HN 0.746 8.999 8.310 -0.095 0.000 0.487 216 N N -0.819 117.913 118.700 0.054 0.000 2.416 216 N HA -0.069 4.713 4.740 0.070 0.000 0.246 216 N C 1.992 177.527 175.510 0.042 0.000 1.260 216 N CA 0.097 53.179 53.050 0.052 0.000 0.897 216 N CB 0.231 38.741 38.487 0.037 0.000 1.110 216 N HN -0.288 8.121 8.380 0.048 0.000 0.439 217 I N -5.798 114.798 120.570 0.042 0.000 2.423 217 I HA -0.362 3.815 4.170 0.011 0.000 0.254 217 I C 0.034 176.136 176.117 -0.024 0.000 1.151 217 I CA 3.223 64.528 61.300 0.008 0.000 1.421 217 I CB -0.498 37.500 38.000 -0.004 0.000 1.079 217 I HN 0.427 8.675 8.210 0.063 0.000 0.431 218 D N -3.090 117.298 120.400 -0.019 0.000 2.358 218 D HA -0.076 4.534 4.640 -0.050 0.000 0.224 218 D C -0.257 176.029 176.300 -0.023 0.000 1.123 218 D CA -1.803 52.177 54.000 -0.033 0.000 0.833 218 D CB -1.175 39.604 40.800 -0.035 0.000 0.946 218 D HN -0.455 7.886 8.370 -0.006 0.025 0.505 219 S N 1.733 117.431 115.700 -0.004 0.000 2.558 219 S HA -0.242 4.505 4.470 -0.026 -0.293 0.288 219 S C -0.332 174.253 174.600 -0.025 0.000 1.318 219 S CA 1.630 59.824 58.200 -0.009 0.000 1.056 219 S CB 0.470 63.691 63.200 0.034 0.000 0.853 219 S HN -0.569 7.664 8.310 0.009 0.082 0.505 220 S N 5.098 120.763 115.700 -0.058 0.000 2.627 220 S HA 0.216 4.803 4.470 -0.055 -0.150 0.283 220 S C -0.343 174.191 174.600 -0.111 0.000 1.127 220 S CA -1.805 56.354 58.200 -0.068 0.000 0.863 220 S CB 2.700 65.868 63.200 -0.054 0.000 1.121 220 S HN -0.276 8.203 8.310 -0.070 -0.210 0.479 221 I N 1.301 121.804 120.570 -0.113 0.000 2.587 221 I HA -0.163 3.888 4.170 -0.199 0.000 0.284 221 I C -1.645 174.403 176.117 -0.114 0.000 1.134 221 I CA -1.074 60.141 61.300 -0.141 0.000 1.410 221 I CB -0.428 37.500 38.000 -0.121 0.000 1.392 221 I HN 0.231 8.387 8.210 -0.090 0.000 0.545 222 P HA 0.089 4.465 4.420 -0.072 0.000 0.271 222 P C -0.993 176.267 177.300 -0.067 0.000 1.218 222 P CA -0.411 62.637 63.100 -0.087 0.000 0.780 222 P CB 0.605 32.253 31.700 -0.087 0.000 0.901 223 S N 2.571 118.242 115.700 -0.048 0.000 2.549 223 S HA -0.238 4.206 4.470 -0.043 0.000 0.286 223 S C 1.023 175.603 174.600 -0.034 0.000 1.314 223 S CA 1.948 60.124 58.200 -0.039 0.000 1.062 223 S CB 0.452 63.633 63.200 -0.030 0.000 0.865 223 S HN 0.214 8.498 8.310 -0.043 0.000 0.498 224 G N 3.218 111.997 108.800 -0.035 0.000 2.198 224 G HA2 -0.239 3.703 3.960 -0.030 0.000 0.260 224 G HA3 -0.239 3.707 3.960 -0.023 0.000 0.260 224 G C -0.328 174.555 174.900 -0.028 0.000 1.025 224 G CA 0.815 45.898 45.100 -0.029 0.000 0.769 224 G HN 0.347 8.614 8.290 -0.037 0.000 0.507 225 S N -1.101 114.574 115.700 -0.041 0.000 2.622 225 S HA 0.173 4.633 4.470 -0.017 0.000 0.236 225 S C 0.091 174.663 174.600 -0.047 0.000 0.956 225 S CA -0.781 57.394 58.200 -0.042 0.000 0.971 225 S CB 0.794 63.948 63.200 -0.077 0.000 0.782 225 S HN -0.378 7.880 8.310 -0.051 0.021 0.468 226 T N -2.409 112.120 114.554 -0.042 0.000 2.732 226 T HA -0.138 4.183 4.350 -0.049 0.000 0.287 226 T C 1.492 176.174 174.700 -0.029 0.000 0.993 226 T CA 0.574 62.650 62.100 -0.041 0.000 0.966 226 T CB 0.837 69.681 68.868 -0.040 0.000 1.047 226 T HN -0.650 7.481 8.240 -0.038 0.087 0.527 227 G N 1.331 110.113 108.800 -0.030 0.000 2.583 227 G HA2 -0.507 3.652 3.960 -0.035 0.000 0.292 227 G HA3 -0.507 3.433 3.960 -0.034 0.000 0.292 227 G C -0.043 174.853 174.900 -0.006 0.000 1.203 227 G CA 1.099 46.183 45.100 -0.028 0.000 0.987 227 G HN 0.274 8.468 8.290 -0.032 0.077 0.554 228 R N 1.926 122.428 120.500 0.003 0.000 2.241 228 R HA -0.217 4.263 4.340 0.058 -0.104 0.224 228 R C 0.864 177.204 176.300 0.067 0.000 1.101 228 R CA 1.711 57.837 56.100 0.043 0.000 0.995 228 R CB -0.637 29.692 30.300 0.048 0.000 0.870 228 R HN 0.228 8.491 8.270 -0.013 0.000 0.463 229 L N -3.533 117.724 121.223 0.057 0.000 2.591 229 L HA 0.135 4.579 4.340 0.174 0.000 0.228 229 L C -0.499 176.417 176.870 0.077 0.000 1.133 229 L CA -0.391 54.514 54.840 0.108 0.000 0.880 229 L CB 0.358 42.468 42.059 0.085 0.000 1.033 229 L HN -0.834 7.361 8.230 0.029 0.052 0.450 230 L N -6.467 114.766 121.223 0.017 0.000 4.137 230 L HA -0.434 3.883 4.340 -0.038 0.000 0.421 230 L C 0.574 177.351 176.870 -0.154 0.000 1.162 230 L CA 0.695 55.507 54.840 -0.046 0.000 0.978 230 L CB -2.754 39.299 42.059 -0.010 0.000 1.957 230 L HN -0.235 7.942 8.230 0.024 0.068 0.978 231 G N -5.252 103.454 108.800 -0.157 0.000 2.168 231 G HA2 -0.416 3.499 3.960 -0.177 0.000 0.257 231 G HA3 -0.416 3.408 3.960 -0.226 0.000 0.257 231 G C -0.439 174.226 174.900 -0.391 0.000 0.997 231 G CA 1.116 46.079 45.100 -0.228 0.000 0.708 231 G HN 0.321 8.504 8.290 -0.099 0.049 0.520 232 L N -3.165 117.771 121.223 -0.478 0.000 2.624 232 L HA 0.185 4.019 4.340 -0.844 0.000 0.222 232 L C -0.696 175.624 176.870 -0.916 0.000 1.046 232 L CA 0.356 54.673 54.840 -0.871 0.000 0.872 232 L CB 1.225 42.525 42.059 -1.264 0.000 1.190 232 L HN -0.436 7.545 8.230 -0.328 0.052 0.487 233 F N -2.550 117.319 119.950 -0.135 0.000 2.522 233 F HA 0.335 4.805 4.527 -0.094 0.000 0.324 233 F C -2.458 173.297 175.800 -0.076 0.000 1.077 233 F CA -2.928 55.016 58.000 -0.093 0.000 0.944 233 F CB 0.743 39.701 39.000 -0.070 0.000 1.175 233 F HN -0.893 7.296 8.300 -0.186 0.000 0.468 234 P HA 0.017 4.446 4.420 0.014 0.000 0.231 234 P C -1.376 175.953 177.300 0.048 0.000 1.168 234 P CA 0.474 63.602 63.100 0.047 0.000 0.779 234 P CB 0.608 32.325 31.700 0.029 0.000 0.844 235 D N -4.881 115.562 120.400 0.071 0.000 2.768 235 D HA -0.005 4.650 4.640 0.025 0.000 0.327 235 D C -1.348 174.958 176.300 0.009 0.000 1.302 235 D CA -1.179 52.839 54.000 0.030 0.000 0.897 235 D CB 0.375 41.181 40.800 0.010 0.000 1.420 235 D HN -0.810 7.593 8.370 0.122 0.040 0.494 236 A N -3.941 118.867 122.820 -0.021 0.000 2.507 236 A HA 0.149 4.417 4.320 -0.086 0.000 0.270 236 A C 0.078 177.612 177.584 -0.085 0.000 1.318 236 A CA -0.256 51.746 52.037 -0.058 0.000 0.924 236 A CB -0.307 18.672 19.000 -0.035 0.000 1.061 236 A HN 0.289 8.431 8.150 -0.014 0.000 0.516 237 N N 0.000 118.652 118.700 -0.080 0.000 1.763 237 N HA 0.000 4.700 4.740 -0.066 0.000 0.220 237 N CA 0.000 53.003 53.050 -0.079 0.000 0.885 237 N CB 0.000 38.457 38.487 -0.050 0.000 1.341 237 N HN 0.000 8.582 8.380 -0.062 -0.239 0.667