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 1cvn_1_B 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 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.590 177.584 0.010 0.000 1.274 1 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1 A CB 0.000 19.006 19.000 0.011 0.000 0.831 2 D N 1.145 121.542 120.400 -0.004 0.000 2.313 2 D HA 0.440 5.077 4.640 -0.004 0.000 0.247 2 D C 0.090 176.402 176.300 0.020 0.000 1.094 2 D CA 0.683 54.678 54.000 -0.008 0.000 0.925 2 D CB 1.171 41.937 40.800 -0.057 0.000 1.188 2 D HN 0.168 8.538 8.370 -0.000 0.000 0.430 3 T N 2.303 116.879 114.554 0.037 0.000 2.743 3 T HA 0.389 4.736 4.350 -0.004 0.000 0.292 3 T C 0.112 174.850 174.700 0.063 0.000 0.972 3 T CA -0.559 61.581 62.100 0.067 0.000 0.967 3 T CB 0.416 69.335 68.868 0.085 0.000 0.926 3 T HN 0.112 8.352 8.240 -0.000 0.000 0.459 4 I N 3.848 124.466 120.570 0.079 0.000 2.433 4 I HA 0.476 4.643 4.170 -0.004 0.000 0.292 4 I C -0.409 175.792 176.117 0.141 0.000 1.001 4 I CA -0.917 60.420 61.300 0.061 0.000 1.119 4 I CB 1.908 39.836 38.000 -0.121 0.000 1.289 4 I HN 0.287 8.497 8.210 -0.000 0.000 0.438 5 V N 5.403 125.390 119.914 0.122 0.000 2.409 5 V HA 0.791 4.908 4.120 -0.004 0.000 0.290 5 V C -0.024 176.155 176.094 0.142 0.000 1.017 5 V CA -0.372 62.014 62.300 0.144 0.000 0.841 5 V CB 1.632 33.531 31.823 0.126 0.000 1.003 5 V HN 0.918 9.108 8.190 -0.000 0.000 0.426 6 A N 4.439 127.367 122.820 0.180 0.000 2.515 6 A HA 0.934 5.252 4.320 -0.004 0.000 0.296 6 A C -1.349 176.361 177.584 0.211 0.000 1.094 6 A CA -0.630 51.515 52.037 0.180 0.000 0.718 6 A CB 2.289 21.373 19.000 0.139 0.000 1.307 6 A HN 0.562 8.712 8.150 -0.000 0.000 0.408 7 V N 2.246 122.310 119.914 0.250 0.000 2.357 7 V HA 0.388 4.505 4.120 -0.004 0.000 0.284 7 V C -0.134 176.052 176.094 0.152 0.000 1.018 7 V CA -0.348 62.083 62.300 0.219 0.000 0.841 7 V CB 1.093 33.087 31.823 0.285 0.000 0.991 7 V HN 0.999 9.189 8.190 -0.000 0.000 0.437 8 E N 5.316 125.568 120.200 0.087 0.000 2.214 8 E HA 0.679 5.026 4.350 -0.004 0.000 0.274 8 E C -1.363 175.185 176.600 -0.086 0.000 0.977 8 E CA -0.961 55.454 56.400 0.026 0.000 0.827 8 E CB 1.902 31.634 29.700 0.054 0.000 1.130 8 E HN 0.354 8.714 8.360 -0.000 0.000 0.394 9 L N 2.824 123.961 121.223 -0.143 0.000 2.435 9 L HA 0.227 4.564 4.340 -0.004 0.000 0.253 9 L C -0.764 176.105 176.870 -0.003 0.000 1.087 9 L CA -0.345 54.301 54.840 -0.324 0.000 0.950 9 L CB 0.844 42.558 42.059 -0.574 0.000 1.304 9 L HN 0.616 8.846 8.230 -0.000 0.000 0.453 10 D N 0.714 121.082 120.400 -0.054 0.000 2.352 10 D HA 0.093 4.730 4.640 -0.004 0.000 0.245 10 D C 1.291 177.652 176.300 0.101 0.000 1.224 10 D CA 0.147 54.101 54.000 -0.077 0.000 0.879 10 D CB 1.234 41.750 40.800 -0.474 0.000 1.057 10 D HN 0.567 8.937 8.370 -0.000 0.000 0.491 11 T N 1.088 115.778 114.554 0.228 0.000 3.081 11 T HA -0.021 4.327 4.350 -0.004 0.000 0.255 11 T C 0.612 175.444 174.700 0.221 0.000 1.113 11 T CA 0.223 62.451 62.100 0.212 0.000 1.082 11 T CB -0.064 68.924 68.868 0.200 0.000 0.939 11 T HN 0.340 8.580 8.240 -0.000 0.000 0.506 12 Y N 3.290 123.652 120.300 0.103 0.000 2.326 12 Y HA 0.461 5.009 4.550 -0.005 0.000 0.329 12 Y C -2.880 173.090 175.900 0.117 0.000 0.973 12 Y CA -3.010 55.146 58.100 0.093 0.000 1.162 12 Y CB 2.044 40.557 38.460 0.089 0.000 1.147 12 Y HN -0.062 8.218 8.280 -0.000 0.000 0.456 13 P HA 0.183 4.603 4.420 -0.000 0.000 0.282 13 P C -1.399 175.737 177.300 -0.274 0.000 1.274 13 P CA -0.141 62.837 63.100 -0.205 0.000 0.770 13 P CB 0.773 32.334 31.700 -0.233 0.000 0.867 14 N N 1.399 120.084 118.700 -0.026 0.000 2.898 14 N HA 0.102 4.839 4.740 -0.004 0.000 0.245 14 N C 1.292 176.788 175.510 -0.024 0.000 1.185 14 N CA -0.315 52.761 53.050 0.043 0.000 0.879 14 N CB 0.427 38.995 38.487 0.135 0.000 1.157 14 N HN 0.327 8.707 8.380 -0.000 0.000 0.503 15 T N -2.547 111.961 114.554 -0.076 0.000 2.929 15 T HA -0.210 4.137 4.350 -0.004 0.000 0.271 15 T C 1.262 175.929 174.700 -0.055 0.000 1.085 15 T CA 1.159 63.204 62.100 -0.091 0.000 1.125 15 T CB -0.225 68.577 68.868 -0.111 0.000 0.874 15 T HN 0.380 8.620 8.240 -0.000 0.000 0.494 16 D N 2.636 123.021 120.400 -0.027 0.000 2.309 16 D HA -0.089 4.548 4.640 -0.004 0.000 0.212 16 D C 1.570 177.858 176.300 -0.020 0.000 0.968 16 D CA 0.673 54.663 54.000 -0.016 0.000 0.882 16 D CB -0.720 40.081 40.800 0.002 0.000 0.918 16 D HN 0.784 9.154 8.370 -0.000 0.000 0.503 17 I N -5.628 114.929 120.570 -0.021 0.000 3.947 17 I HA 0.642 4.809 4.170 -0.004 0.000 0.327 17 I C 1.166 177.254 176.117 -0.049 0.000 1.519 17 I CA -0.225 61.058 61.300 -0.029 0.000 1.122 17 I CB 0.720 38.710 38.000 -0.017 0.000 1.146 17 I HN 0.026 8.236 8.210 -0.000 0.000 0.442 18 G N 0.522 109.286 108.800 -0.061 0.000 2.179 18 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.220 18 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.220 18 G C -0.239 174.588 174.900 -0.121 0.000 0.990 18 G CA -0.040 45.010 45.100 -0.083 0.000 0.646 18 G HN 0.441 8.731 8.290 -0.000 0.000 0.517 19 D N 1.910 122.238 120.400 -0.120 0.000 2.382 19 D HA 0.481 5.118 4.640 -0.004 0.000 0.240 19 D C -1.774 174.304 176.300 -0.370 0.000 1.146 19 D CA -0.816 53.057 54.000 -0.212 0.000 0.897 19 D CB 0.961 41.715 40.800 -0.078 0.000 1.197 19 D HN 0.154 8.524 8.370 -0.000 0.000 0.432 20 P HA 0.092 4.512 4.420 -0.000 0.000 0.274 20 P C 0.074 176.934 177.300 -0.734 0.000 1.246 20 P CA -0.307 62.317 63.100 -0.792 0.000 0.795 20 P CB 0.488 31.457 31.700 -1.218 0.000 1.006 21 S N -0.540 114.762 115.700 -0.664 0.000 2.851 21 S HA 0.106 4.573 4.470 -0.004 0.000 0.227 21 S C -0.146 174.318 174.600 -0.226 0.000 0.958 21 S CA 0.079 58.069 58.200 -0.351 0.000 0.990 21 S CB -1.456 61.647 63.200 -0.162 0.000 0.790 21 S HN 0.465 8.775 8.310 -0.000 0.000 0.509 22 Y N -4.284 116.005 120.300 -0.018 0.000 2.624 22 Y HA 0.734 5.281 4.550 -0.004 0.000 0.334 22 Y C -3.613 172.418 175.900 0.218 0.000 1.155 22 Y CA -3.703 54.427 58.100 0.051 0.000 1.046 22 Y CB -0.223 38.266 38.460 0.047 0.000 1.316 22 Y HN -0.215 8.065 8.280 -0.000 0.000 0.457 23 P HA 0.154 4.574 4.420 -0.000 0.000 0.267 23 P C -0.730 176.991 177.300 0.701 0.000 1.200 23 P CA 0.959 64.307 63.100 0.413 0.000 0.772 23 P CB 0.253 32.028 31.700 0.124 0.000 0.855 24 H N 0.766 120.141 119.070 0.509 0.000 2.932 24 H HA 0.563 5.116 4.556 -0.004 0.000 0.307 24 H C -0.939 174.612 175.328 0.371 0.000 1.391 24 H CA -1.028 55.317 56.048 0.496 0.000 1.130 24 H CB 0.469 30.464 29.762 0.388 0.000 1.836 24 H HN 0.278 8.558 8.280 -0.000 0.000 0.522 25 I N -0.969 119.742 120.570 0.235 0.000 2.646 25 I HA 0.896 5.064 4.170 -0.004 0.000 0.299 25 I C -0.232 175.962 176.117 0.127 0.000 1.036 25 I CA -0.923 60.378 61.300 0.001 0.000 1.074 25 I CB 2.304 40.212 38.000 -0.153 0.000 1.258 25 I HN 0.816 9.026 8.210 -0.000 0.000 0.430 26 G N 4.720 113.572 108.800 0.086 0.000 2.692 26 G HA2 0.656 4.613 3.960 -0.004 0.000 0.291 26 G HA3 0.656 4.613 3.960 -0.004 0.000 0.291 26 G C -1.509 173.438 174.900 0.080 0.000 1.423 26 G CA -0.814 44.354 45.100 0.114 0.000 0.843 26 G HN 0.625 8.915 8.290 -0.000 0.000 0.486 27 I N 1.663 122.258 120.570 0.042 0.000 2.328 27 I HA 0.240 4.407 4.170 -0.004 0.000 0.287 27 I C -0.966 175.130 176.117 -0.035 0.000 1.012 27 I CA -0.691 60.627 61.300 0.031 0.000 1.195 27 I CB 1.573 39.588 38.000 0.024 0.000 1.350 27 I HN 0.202 8.412 8.210 -0.000 0.000 0.464 28 D N 7.920 128.352 120.400 0.054 0.000 2.280 28 D HA 0.380 5.017 4.640 -0.004 0.000 0.236 28 D C -0.187 176.167 176.300 0.091 0.000 1.082 28 D CA -0.140 53.894 54.000 0.056 0.000 0.834 28 D CB 2.179 43.104 40.800 0.208 0.000 1.100 28 D HN 0.194 8.564 8.370 -0.000 0.000 0.486 29 I N 2.655 123.234 120.570 0.015 0.000 2.428 29 I HA 0.114 4.281 4.170 -0.004 0.000 0.279 29 I C 0.826 176.984 176.117 0.069 0.000 1.040 29 I CA -0.398 60.943 61.300 0.067 0.000 1.171 29 I CB 0.567 38.601 38.000 0.057 0.000 1.312 29 I HN 0.426 8.636 8.210 -0.000 0.000 0.470 30 K N 1.511 122.011 120.400 0.166 0.000 3.349 30 K HA -0.197 4.120 4.320 -0.004 0.000 0.310 30 K C 0.277 176.914 176.600 0.061 0.000 1.267 30 K CA 1.046 57.445 56.287 0.187 0.000 0.920 30 K CB -0.858 31.707 32.500 0.108 0.000 1.240 30 K HN 0.630 8.880 8.250 -0.000 0.000 0.453 31 S N -0.817 114.754 115.700 -0.216 0.000 2.537 31 S HA 0.337 4.804 4.470 -0.004 0.000 0.270 31 S C 0.255 174.156 174.600 -1.165 0.000 1.142 31 S CA -0.344 57.476 58.200 -0.634 0.000 0.870 31 S CB 2.336 65.356 63.200 -0.299 0.000 1.112 31 S HN 0.065 8.375 8.310 -0.000 0.000 0.466 32 V N 3.601 122.678 119.914 -1.395 0.000 2.970 32 V HA 0.195 4.312 4.120 -0.004 0.000 0.260 32 V C 0.926 176.804 176.094 -0.360 0.000 1.100 32 V CA 1.304 63.045 62.300 -0.932 0.000 1.122 32 V CB -0.570 30.965 31.823 -0.481 0.000 0.721 32 V HN 0.725 8.915 8.190 -0.000 0.000 0.483 33 R N 1.583 121.896 120.500 -0.312 0.000 2.419 33 R HA 0.266 4.603 4.340 -0.004 0.000 0.305 33 R C 0.457 176.665 176.300 -0.152 0.000 1.242 33 R CA -0.062 55.935 56.100 -0.171 0.000 1.105 33 R CB 0.354 30.567 30.300 -0.144 0.000 1.116 33 R HN 0.374 8.644 8.270 -0.000 0.000 0.523 34 S N 2.767 118.408 115.700 -0.097 0.000 2.573 34 S HA -0.051 4.416 4.470 -0.004 0.000 0.297 34 S C 1.161 175.681 174.600 -0.134 0.000 1.280 34 S CA -0.106 58.042 58.200 -0.087 0.000 1.061 34 S CB 0.632 63.832 63.200 0.000 0.000 0.812 34 S HN 0.456 8.766 8.310 -0.000 0.000 0.500 35 K N 1.065 121.319 120.400 -0.243 0.000 2.296 35 K HA 0.139 4.456 4.320 -0.004 0.000 0.200 35 K C 0.369 176.815 176.600 -0.256 0.000 1.048 35 K CA 0.783 56.862 56.287 -0.346 0.000 0.966 35 K CB -0.076 31.925 32.500 -0.832 0.000 0.754 35 K HN 0.477 8.727 8.250 -0.000 0.000 0.466 36 K N 0.353 120.644 120.400 -0.182 0.000 2.561 36 K HA 0.165 4.482 4.320 -0.004 0.000 0.254 36 K C -1.311 175.316 176.600 0.045 0.000 0.942 36 K CA -0.251 56.022 56.287 -0.022 0.000 0.818 36 K CB 1.458 33.988 32.500 0.050 0.000 1.306 36 K HN 0.040 8.290 8.250 -0.000 0.000 0.435 37 T N -0.063 114.547 114.554 0.092 0.000 2.887 37 T HA 0.960 5.307 4.350 -0.004 0.000 0.292 37 T C -1.053 173.760 174.700 0.190 0.000 1.087 37 T CA -0.755 61.445 62.100 0.167 0.000 1.009 37 T CB 1.839 70.814 68.868 0.179 0.000 1.203 37 T HN 0.701 8.941 8.240 -0.000 0.000 0.518 38 A N 0.919 123.895 122.820 0.259 0.000 2.566 38 A HA 0.695 5.012 4.320 -0.004 0.000 0.297 38 A C -0.570 177.205 177.584 0.319 0.000 1.059 38 A CA -1.006 51.169 52.037 0.231 0.000 0.691 38 A CB 1.409 20.503 19.000 0.157 0.000 1.282 38 A HN 1.066 9.216 8.150 -0.000 0.000 0.401 39 K N 0.891 121.402 120.400 0.186 0.000 2.484 39 K HA 0.173 4.490 4.320 -0.004 0.000 0.280 39 K C -1.012 175.741 176.600 0.255 0.000 1.013 39 K CA 0.382 56.694 56.287 0.041 0.000 1.029 39 K CB 0.364 32.595 32.500 -0.449 0.000 0.902 39 K HN 0.649 8.899 8.250 -0.000 0.000 0.481 40 W N 5.395 126.770 121.300 0.125 0.000 2.619 40 W HA 0.282 4.939 4.660 -0.005 0.000 0.327 40 W C -1.109 175.489 176.519 0.132 0.000 1.027 40 W CA -1.071 56.356 57.345 0.137 0.000 1.233 40 W CB 0.759 30.317 29.460 0.163 0.000 1.370 40 W HN 0.535 8.715 8.180 -0.000 0.000 0.453 41 N N 7.104 125.809 118.700 0.008 0.000 2.968 41 N HA 0.021 4.759 4.740 -0.004 0.000 0.271 41 N C 0.319 175.570 175.510 -0.433 0.000 1.174 41 N CA -0.181 52.763 53.050 -0.176 0.000 1.096 41 N CB 0.321 38.781 38.487 -0.046 0.000 1.403 41 N HN 0.314 8.694 8.380 -0.000 0.000 0.522 42 M N 1.743 120.811 119.600 -0.886 0.000 2.251 42 M HA -0.037 4.441 4.480 -0.004 0.000 0.343 42 M C -0.336 175.655 176.300 -0.516 0.000 1.245 42 M CA 0.867 55.591 55.300 -0.959 0.000 1.061 42 M CB 0.213 32.081 32.600 -1.220 0.000 1.723 42 M HN 0.329 8.619 8.290 -0.000 0.000 0.449 43 Q N 3.683 123.124 119.800 -0.597 0.000 2.394 43 Q HA 0.238 4.575 4.340 -0.004 0.000 0.259 43 Q C -0.599 175.244 176.000 -0.261 0.000 1.021 43 Q CA -0.580 54.881 55.803 -0.569 0.000 0.805 43 Q CB 0.845 29.000 28.738 -0.973 0.000 1.226 43 Q HN 0.564 8.834 8.270 -0.000 0.000 0.476 44 N N 1.320 119.931 118.700 -0.148 0.000 2.411 44 N HA -0.016 4.722 4.740 -0.004 0.000 0.265 44 N C 0.889 176.390 175.510 -0.016 0.000 1.266 44 N CA 1.869 54.893 53.050 -0.043 0.000 0.889 44 N CB 0.530 38.990 38.487 -0.045 0.000 1.069 44 N HN 0.877 9.257 8.380 -0.000 0.000 0.476 45 G N 2.440 111.269 108.800 0.049 0.000 2.179 45 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.260 45 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.260 45 G C -0.146 174.794 174.900 0.067 0.000 0.977 45 G CA 0.331 45.465 45.100 0.055 0.000 0.641 45 G HN 0.623 8.913 8.290 -0.000 0.000 0.533 46 K N 0.223 120.673 120.400 0.083 0.000 2.164 46 K HA 0.610 4.927 4.320 -0.004 0.000 0.258 46 K C 0.189 176.929 176.600 0.233 0.000 0.951 46 K CA -0.915 55.444 56.287 0.120 0.000 0.844 46 K CB 2.752 35.270 32.500 0.030 0.000 1.099 46 K HN 0.003 8.253 8.250 -0.000 0.000 0.435 47 V N 2.350 122.339 119.914 0.125 0.000 2.521 47 V HA 0.202 4.319 4.120 -0.004 0.000 0.286 47 V C 0.738 176.732 176.094 -0.166 0.000 1.034 47 V CA 0.055 62.341 62.300 -0.023 0.000 1.045 47 V CB 0.813 32.624 31.823 -0.020 0.000 0.974 47 V HN 0.959 9.149 8.190 -0.000 0.000 0.480 48 G N 3.463 111.805 108.800 -0.763 0.000 2.685 48 G HA2 0.740 4.697 3.960 -0.004 0.000 0.298 48 G HA3 0.740 4.697 3.960 -0.004 0.000 0.298 48 G C -0.828 173.413 174.900 -1.099 0.000 1.277 48 G CA -0.514 43.870 45.100 -1.192 0.000 0.986 48 G HN 0.582 8.872 8.290 -0.000 0.000 0.487 49 T N -0.324 113.838 114.554 -0.653 0.000 2.916 49 T HA 0.687 5.034 4.350 -0.004 0.000 0.298 49 T C -0.440 174.135 174.700 -0.209 0.000 1.031 49 T CA -0.147 61.748 62.100 -0.343 0.000 0.993 49 T CB 1.739 70.486 68.868 -0.202 0.000 1.045 49 T HN 1.012 9.252 8.240 -0.000 0.000 0.454 50 A N 2.258 124.883 122.820 -0.325 0.000 2.365 50 A HA 0.784 5.101 4.320 -0.004 0.000 0.318 50 A C -1.279 176.160 177.584 -0.242 0.000 1.091 50 A CA -0.573 51.227 52.037 -0.394 0.000 0.763 50 A CB 0.934 19.415 19.000 -0.864 0.000 1.248 50 A HN 0.929 9.079 8.150 -0.000 0.000 0.442 51 H N 0.833 119.788 119.070 -0.192 0.000 2.689 51 H HA 0.699 5.252 4.556 -0.004 0.000 0.346 51 H C -1.576 173.716 175.328 -0.059 0.000 1.037 51 H CA -0.362 55.626 56.048 -0.101 0.000 1.234 51 H CB 0.967 30.682 29.762 -0.079 0.000 1.572 51 H HN 0.510 8.790 8.280 -0.000 0.000 0.524 52 I N 6.324 126.669 120.570 -0.375 0.000 2.569 52 I HA 0.421 4.588 4.170 -0.004 0.000 0.296 52 I C -0.667 175.256 176.117 -0.323 0.000 1.028 52 I CA -0.618 60.561 61.300 -0.202 0.000 1.082 52 I CB 1.774 39.738 38.000 -0.059 0.000 1.264 52 I HN 0.582 8.792 8.210 -0.000 0.000 0.429 53 I N 2.491 122.920 120.570 -0.236 0.000 2.913 53 I HA 0.680 4.847 4.170 -0.004 0.000 0.302 53 I C -1.886 174.024 176.117 -0.345 0.000 1.246 53 I CA -0.974 60.126 61.300 -0.333 0.000 1.010 53 I CB 2.515 40.391 38.000 -0.206 0.000 1.259 53 I HN 0.635 8.845 8.210 -0.000 0.000 0.434 54 Y N 3.884 123.758 120.300 -0.710 0.000 2.558 54 Y HA 0.595 5.142 4.550 -0.004 0.000 0.333 54 Y C -1.991 173.677 175.900 -0.386 0.000 1.125 54 Y CA -0.616 57.144 58.100 -0.567 0.000 1.039 54 Y CB 2.026 40.004 38.460 -0.804 0.000 1.331 54 Y HN 0.953 9.233 8.280 -0.000 0.000 0.456 55 N N 0.302 118.392 118.700 -1.017 0.000 2.367 55 N HA 0.274 5.011 4.740 -0.004 0.000 0.278 55 N C -0.654 174.373 175.510 -0.805 0.000 1.117 55 N CA -0.222 52.449 53.050 -0.631 0.000 0.867 55 N CB 1.742 40.029 38.487 -0.334 0.000 1.649 55 N HN 0.466 8.846 8.380 -0.000 0.000 0.479 56 S N 0.092 115.566 115.700 -0.377 0.000 2.507 56 S HA -0.082 4.385 4.470 -0.004 0.000 0.235 56 S C 1.283 175.784 174.600 -0.165 0.000 0.988 56 S CA 0.727 58.813 58.200 -0.191 0.000 0.944 56 S CB -0.449 62.752 63.200 0.000 0.000 0.762 56 S HN 0.388 8.698 8.310 -0.000 0.000 0.526 57 V N 2.371 122.174 119.914 -0.185 0.000 2.346 57 V HA -0.084 4.034 4.120 -0.004 0.000 0.244 57 V C 2.168 178.178 176.094 -0.141 0.000 1.037 57 V CA 1.869 64.090 62.300 -0.132 0.000 1.029 57 V CB -0.533 31.221 31.823 -0.116 0.000 0.663 57 V HN 0.433 8.623 8.190 -0.000 0.000 0.454 58 D N -0.555 119.729 120.400 -0.193 0.000 2.271 58 D HA 0.028 4.665 4.640 -0.004 0.000 0.206 58 D C 0.826 177.024 176.300 -0.170 0.000 0.967 58 D CA 0.195 54.094 54.000 -0.167 0.000 0.867 58 D CB -0.076 40.622 40.800 -0.170 0.000 0.960 58 D HN 0.372 8.742 8.370 -0.000 0.000 0.509 59 K N 0.354 120.595 120.400 -0.266 0.000 3.419 59 K HA -0.229 4.089 4.320 -0.004 0.000 0.272 59 K C 0.029 176.623 176.600 -0.010 0.000 0.973 59 K CA 0.308 56.520 56.287 -0.124 0.000 0.749 59 K CB -1.031 31.459 32.500 -0.017 0.000 1.403 59 K HN 0.123 8.373 8.250 -0.000 0.000 0.456 60 R N 1.155 121.610 120.500 -0.074 0.000 2.564 60 R HA 0.429 4.766 4.340 -0.004 0.000 0.284 60 R C -1.697 174.705 176.300 0.170 0.000 1.031 60 R CA -0.949 55.175 56.100 0.039 0.000 0.904 60 R CB 1.051 31.324 30.300 -0.045 0.000 1.199 60 R HN 0.124 8.394 8.270 -0.000 0.000 0.443 61 L N 3.083 124.472 121.223 0.278 0.000 2.280 61 L HA 0.552 4.889 4.340 -0.004 0.000 0.287 61 L C -1.316 175.661 176.870 0.177 0.000 1.023 61 L CA 0.263 55.278 54.840 0.291 0.000 0.819 61 L CB 1.708 43.960 42.059 0.322 0.000 1.212 61 L HN 0.606 8.836 8.230 -0.000 0.000 0.420 62 S N 3.455 119.215 115.700 0.100 0.000 2.566 62 S HA 0.994 5.461 4.470 -0.004 0.000 0.298 62 S C -0.771 173.864 174.600 0.057 0.000 1.083 62 S CA -0.407 57.838 58.200 0.075 0.000 0.978 62 S CB 1.863 65.087 63.200 0.041 0.000 1.073 62 S HN 0.932 9.242 8.310 -0.000 0.000 0.491 63 A N 1.321 124.176 122.820 0.059 0.000 2.549 63 A HA 0.830 5.148 4.320 -0.004 0.000 0.297 63 A C -1.589 176.010 177.584 0.025 0.000 1.061 63 A CA -0.655 51.404 52.037 0.036 0.000 0.690 63 A CB 1.356 20.381 19.000 0.042 0.000 1.287 63 A HN 0.635 8.785 8.150 -0.000 0.000 0.402 64 V N 1.257 121.180 119.914 0.014 0.000 2.686 64 V HA 0.597 4.714 4.120 -0.004 0.000 0.306 64 V C -0.828 175.236 176.094 -0.050 0.000 1.065 64 V CA -0.546 61.755 62.300 0.002 0.000 0.894 64 V CB 1.782 33.623 31.823 0.030 0.000 1.004 64 V HN 0.781 8.971 8.190 -0.000 0.000 0.424 65 V N 3.870 123.734 119.914 -0.084 0.000 2.531 65 V HA 0.851 4.968 4.120 -0.004 0.000 0.301 65 V C -0.159 175.928 176.094 -0.012 0.000 1.034 65 V CA -0.249 61.971 62.300 -0.134 0.000 0.865 65 V CB 1.992 33.572 31.823 -0.405 0.000 0.995 65 V HN 1.068 9.258 8.190 -0.000 0.000 0.424 66 S N 3.698 119.362 115.700 -0.059 0.000 2.607 66 S HA 0.840 5.307 4.470 -0.004 0.000 0.273 66 S C -1.586 172.906 174.600 -0.180 0.000 1.148 66 S CA -0.883 57.317 58.200 -0.001 0.000 0.833 66 S CB 1.733 64.952 63.200 0.031 0.000 1.130 66 S HN 0.397 8.707 8.310 -0.000 0.000 0.470 67 Y N 0.050 120.402 120.300 0.087 0.000 2.524 67 Y HA 0.598 5.145 4.550 -0.005 0.000 0.344 67 Y C -2.605 173.304 175.900 0.015 0.000 1.012 67 Y CA -2.237 55.884 58.100 0.035 0.000 1.068 67 Y CB 1.305 39.799 38.460 0.056 0.000 1.249 67 Y HN 0.450 8.730 8.280 -0.000 0.000 0.468 68 P HA 0.020 4.440 4.420 -0.000 0.000 0.264 68 P C -0.786 176.562 177.300 0.081 0.000 1.183 68 P CA 0.564 63.711 63.100 0.079 0.000 0.763 68 P CB 0.149 31.883 31.700 0.057 0.000 0.807 69 N N -0.332 118.400 118.700 0.054 0.000 2.727 69 N HA -0.106 4.631 4.740 -0.004 0.000 0.249 69 N C -0.406 175.136 175.510 0.054 0.000 1.048 69 N CA 0.459 53.535 53.050 0.043 0.000 0.714 69 N CB -1.316 37.189 38.487 0.029 0.000 0.959 69 N HN 0.547 8.927 8.380 -0.000 0.000 0.544 70 A N -0.326 122.542 122.820 0.080 0.000 2.594 70 A HA 0.580 4.897 4.320 -0.004 0.000 0.291 70 A C -1.267 176.379 177.584 0.102 0.000 1.105 70 A CA -0.823 51.271 52.037 0.095 0.000 0.694 70 A CB 1.371 20.461 19.000 0.151 0.000 1.291 70 A HN 0.106 8.256 8.150 -0.000 0.000 0.410 71 D N 1.858 122.316 120.400 0.097 0.000 2.345 71 D HA 0.409 5.046 4.640 -0.004 0.000 0.247 71 D C 0.674 177.056 176.300 0.137 0.000 1.108 71 D CA 0.472 54.527 54.000 0.092 0.000 0.894 71 D CB 1.443 42.285 40.800 0.069 0.000 1.203 71 D HN 0.612 8.982 8.370 -0.000 0.000 0.430 72 S N -0.024 115.743 115.700 0.112 0.000 2.652 72 S HA 0.668 5.136 4.470 -0.004 0.000 0.270 72 S C -0.278 174.403 174.600 0.134 0.000 1.243 72 S CA -0.956 57.320 58.200 0.126 0.000 0.999 72 S CB 1.697 64.938 63.200 0.069 0.000 0.973 72 S HN 0.503 8.813 8.310 -0.000 0.000 0.544 73 A N 1.367 124.273 122.820 0.144 0.000 2.303 73 A HA 0.701 5.019 4.320 -0.004 0.000 0.320 73 A C -0.091 177.531 177.584 0.062 0.000 1.192 73 A CA -0.679 51.438 52.037 0.134 0.000 0.821 73 A CB 0.852 19.977 19.000 0.209 0.000 1.188 73 A HN 0.790 8.940 8.150 -0.000 0.000 0.492 74 T N 1.238 115.831 114.554 0.065 0.000 2.863 74 T HA 0.623 4.971 4.350 -0.004 0.000 0.285 74 T C -1.177 173.563 174.700 0.066 0.000 1.009 74 T CA -0.442 61.690 62.100 0.052 0.000 0.989 74 T CB 1.567 70.465 68.868 0.049 0.000 1.004 74 T HN 0.929 9.169 8.240 -0.000 0.000 0.455 75 V N 2.331 122.286 119.914 0.067 0.000 2.711 75 V HA 0.705 4.823 4.120 -0.004 0.000 0.304 75 V C -1.232 174.925 176.094 0.105 0.000 1.097 75 V CA -0.287 62.068 62.300 0.091 0.000 0.906 75 V CB 2.274 34.154 31.823 0.094 0.000 1.015 75 V HN 0.956 9.146 8.190 -0.000 0.000 0.427 76 S N 5.226 121.002 115.700 0.126 0.000 2.548 76 S HA 0.832 5.299 4.470 -0.004 0.000 0.286 76 S C -1.867 172.873 174.600 0.233 0.000 1.098 76 S CA -0.493 57.794 58.200 0.146 0.000 0.930 76 S CB 1.961 65.216 63.200 0.091 0.000 1.070 76 S HN 0.814 9.124 8.310 -0.000 0.000 0.480 77 Y N 1.205 121.550 120.300 0.075 0.000 2.442 77 Y HA 0.309 4.856 4.550 -0.005 0.000 0.330 77 Y C -1.713 174.239 175.900 0.086 0.000 1.100 77 Y CA -0.904 57.241 58.100 0.075 0.000 1.034 77 Y CB 1.223 39.734 38.460 0.084 0.000 1.285 77 Y HN 0.554 8.834 8.280 -0.000 0.000 0.440 78 D N 5.140 125.244 120.400 -0.492 0.000 2.336 78 D HA 0.369 5.007 4.640 -0.004 0.000 0.249 78 D C -1.037 174.997 176.300 -0.444 0.000 1.213 78 D CA 0.532 54.323 54.000 -0.348 0.000 0.870 78 D CB 1.719 42.348 40.800 -0.286 0.000 1.076 78 D HN 0.335 8.705 8.370 -0.000 0.000 0.483 79 V N 2.635 122.505 119.914 -0.073 0.000 2.817 79 V HA 0.127 4.244 4.120 -0.004 0.000 0.303 79 V C -1.598 174.583 176.094 0.144 0.000 1.151 79 V CA -0.857 61.469 62.300 0.044 0.000 0.929 79 V CB 2.542 34.498 31.823 0.221 0.000 1.030 79 V HN 0.301 8.491 8.190 -0.000 0.000 0.427 80 D N 5.417 125.861 120.400 0.074 0.000 2.441 80 D HA 0.305 4.943 4.640 -0.004 0.000 0.221 80 D C 1.201 177.498 176.300 -0.004 0.000 1.156 80 D CA -0.143 53.899 54.000 0.069 0.000 0.896 80 D CB 1.065 41.859 40.800 -0.010 0.000 1.028 80 D HN 0.568 8.938 8.370 -0.000 0.000 0.509 81 L N 2.368 123.582 121.223 -0.014 0.000 2.447 81 L HA -0.127 4.211 4.340 -0.004 0.000 0.225 81 L C 1.146 177.869 176.870 -0.246 0.000 1.148 81 L CA 0.634 55.416 54.840 -0.097 0.000 0.808 81 L CB -0.127 41.830 42.059 -0.170 0.000 0.928 81 L HN 0.340 8.570 8.230 -0.000 0.000 0.448 82 D N -0.079 120.024 120.400 -0.496 0.000 2.183 82 D HA -0.122 4.515 4.640 -0.004 0.000 0.203 82 D C 1.706 177.603 176.300 -0.671 0.000 0.969 82 D CA 0.900 54.181 54.000 -1.197 0.000 0.842 82 D CB -0.172 40.026 40.800 -1.003 0.000 0.957 82 D HN 0.350 8.720 8.370 -0.000 0.000 0.484 83 N N -0.004 118.513 118.700 -0.305 0.000 2.424 83 N HA -0.014 4.724 4.740 -0.004 0.000 0.178 83 N C 1.715 177.207 175.510 -0.031 0.000 1.060 83 N CA 0.172 53.140 53.050 -0.136 0.000 0.901 83 N CB 0.758 39.195 38.487 -0.084 0.000 0.979 83 N HN 0.113 8.493 8.380 -0.000 0.000 0.451 84 V N 0.491 120.399 119.914 -0.009 0.000 2.581 84 V HA 0.183 4.301 4.120 -0.004 0.000 0.240 84 V C 1.027 177.195 176.094 0.123 0.000 1.054 84 V CA 0.641 62.978 62.300 0.063 0.000 1.076 84 V CB 0.212 32.078 31.823 0.072 0.000 0.748 84 V HN 0.021 8.211 8.190 -0.000 0.000 0.474 85 L N 1.518 122.850 121.223 0.181 0.000 2.352 85 L HA 0.462 4.799 4.340 -0.004 0.000 0.269 85 L C -2.313 174.860 176.870 0.505 0.000 1.034 85 L CA -1.878 53.134 54.840 0.286 0.000 0.806 85 L CB 1.447 43.670 42.059 0.275 0.000 1.244 85 L HN 0.067 8.297 8.230 -0.000 0.000 0.447 86 P HA 0.043 4.463 4.420 -0.000 0.000 0.274 86 P C 0.055 177.391 177.300 0.059 0.000 1.256 86 P CA -0.347 62.933 63.100 0.299 0.000 0.795 86 P CB 0.931 32.725 31.700 0.158 0.000 1.038 87 E N 0.286 120.228 120.200 -0.430 0.000 2.085 87 E HA -0.156 4.192 4.350 -0.004 0.000 0.194 87 E C -0.350 175.842 176.600 -0.678 0.000 0.994 87 E CA 1.180 56.885 56.400 -1.159 0.000 0.801 87 E CB -0.019 29.126 29.700 -0.926 0.000 0.743 87 E HN 0.402 8.762 8.360 -0.000 0.000 0.453 88 W N 0.384 121.511 121.300 -0.288 0.000 2.529 88 W HA 0.403 5.061 4.660 -0.004 0.000 0.321 88 W C -0.405 176.058 176.519 -0.094 0.000 1.047 88 W CA -0.850 56.383 57.345 -0.187 0.000 1.216 88 W CB 1.515 30.842 29.460 -0.222 0.000 1.357 88 W HN -0.145 8.035 8.180 -0.000 0.000 0.489 89 V N 0.320 120.320 119.914 0.143 0.000 3.084 89 V HA 0.710 4.828 4.120 -0.004 0.000 0.311 89 V C -0.818 175.312 176.094 0.060 0.000 1.311 89 V CA -1.732 60.615 62.300 0.079 0.000 1.062 89 V CB 2.188 34.029 31.823 0.031 0.000 1.113 89 V HN 0.521 8.711 8.190 -0.000 0.000 0.468 90 R N -0.227 120.266 120.500 -0.012 0.000 2.744 90 R HA 0.819 5.156 4.340 -0.004 0.000 0.279 90 R C -1.453 174.731 176.300 -0.194 0.000 0.977 90 R CA -0.495 55.574 56.100 -0.051 0.000 0.906 90 R CB 2.387 32.659 30.300 -0.046 0.000 1.197 90 R HN 1.044 9.314 8.270 -0.000 0.000 0.463 91 V N -0.894 118.877 119.914 -0.237 0.000 2.715 91 V HA 1.028 5.145 4.120 -0.004 0.000 0.310 91 V C -0.120 175.748 176.094 -0.376 0.000 1.054 91 V CA -0.387 61.634 62.300 -0.466 0.000 0.928 91 V CB 1.695 33.216 31.823 -0.504 0.000 1.007 91 V HN 0.911 9.101 8.190 -0.000 0.000 0.437 92 G N 2.282 110.493 108.800 -0.982 0.000 2.606 92 G HA2 0.652 4.609 3.960 -0.004 0.000 0.300 92 G HA3 0.652 4.609 3.960 -0.004 0.000 0.300 92 G C -1.946 172.310 174.900 -1.073 0.000 1.360 92 G CA -0.997 43.598 45.100 -0.841 0.000 0.783 92 G HN 0.874 9.164 8.290 -0.000 0.000 0.484 93 L N 0.283 121.113 121.223 -0.654 0.000 2.354 93 L HA 0.796 5.133 4.340 -0.004 0.000 0.269 93 L C -0.043 176.796 176.870 -0.052 0.000 1.005 93 L CA -0.866 53.687 54.840 -0.478 0.000 0.819 93 L CB 2.254 43.836 42.059 -0.794 0.000 1.311 93 L HN 0.569 8.799 8.230 -0.000 0.000 0.423 94 S N 1.046 116.726 115.700 -0.034 0.000 2.569 94 S HA 0.949 5.416 4.470 -0.004 0.000 0.280 94 S C -1.392 173.141 174.600 -0.113 0.000 1.111 94 S CA -0.262 57.891 58.200 -0.078 0.000 0.887 94 S CB 2.036 65.106 63.200 -0.215 0.000 1.095 94 S HN 0.781 9.091 8.310 -0.000 0.000 0.476 95 A N 1.715 124.473 122.820 -0.103 0.000 2.604 95 A HA 0.884 5.202 4.320 -0.004 0.000 0.295 95 A C -0.794 176.755 177.584 -0.058 0.000 1.067 95 A CA -0.407 51.589 52.037 -0.068 0.000 0.683 95 A CB 1.356 20.324 19.000 -0.054 0.000 1.281 95 A HN 1.568 9.718 8.150 -0.000 0.000 0.407 96 S N -0.469 115.213 115.700 -0.031 0.000 2.625 96 S HA 0.935 5.402 4.470 -0.004 0.000 0.271 96 S C -0.481 174.114 174.600 -0.008 0.000 1.161 96 S CA 0.034 58.217 58.200 -0.029 0.000 0.820 96 S CB 1.529 64.707 63.200 -0.037 0.000 1.137 96 S HN 2.191 10.501 8.310 -0.000 0.000 0.470 97 T N -2.317 112.225 114.554 -0.021 0.000 2.864 97 T HA 0.913 5.261 4.350 -0.004 0.000 0.299 97 T C 0.283 174.949 174.700 -0.057 0.000 1.166 97 T CA -0.202 61.885 62.100 -0.022 0.000 1.007 97 T CB 1.265 70.127 68.868 -0.010 0.000 1.219 97 T HN 1.377 9.617 8.240 -0.000 0.000 0.506 98 G N -0.047 108.697 108.800 -0.094 0.000 3.420 98 G HA2 0.447 4.404 3.960 -0.004 0.000 0.183 98 G HA3 0.447 4.404 3.960 -0.004 0.000 0.183 98 G C 0.376 175.152 174.900 -0.206 0.000 1.315 98 G CA -0.022 44.993 45.100 -0.140 0.000 0.958 98 G HN 0.789 9.079 8.290 -0.000 0.000 0.745 99 L N -0.322 120.697 121.223 -0.341 0.000 2.141 99 L HA 0.349 4.686 4.340 -0.004 0.000 0.209 99 L C 0.178 176.652 176.870 -0.661 0.000 1.094 99 L CA 0.847 55.372 54.840 -0.526 0.000 0.763 99 L CB -0.639 40.985 42.059 -0.724 0.000 0.908 99 L HN 0.306 8.536 8.230 -0.000 0.000 0.437 100 Y N 0.501 120.708 120.300 -0.155 0.000 2.528 100 Y HA 0.563 5.110 4.550 -0.004 0.000 0.335 100 Y C 0.372 176.233 175.900 -0.065 0.000 1.093 100 Y CA -1.313 56.731 58.100 -0.092 0.000 1.134 100 Y CB 0.975 39.373 38.460 -0.103 0.000 1.253 100 Y HN -0.059 8.221 8.280 -0.000 0.000 0.478 101 K N 0.631 121.126 120.400 0.159 0.000 2.372 101 K HA 0.779 5.097 4.320 -0.004 0.000 0.251 101 K C -1.378 175.285 176.600 0.105 0.000 1.055 101 K CA -0.911 55.431 56.287 0.092 0.000 0.879 101 K CB 2.952 35.484 32.500 0.053 0.000 1.384 101 K HN 0.859 9.109 8.250 -0.000 0.000 0.465 102 E N -0.879 119.371 120.200 0.083 0.000 2.398 102 E HA 0.173 4.520 4.350 -0.004 0.000 0.280 102 E C -1.397 175.251 176.600 0.080 0.000 1.122 102 E CA -0.931 55.523 56.400 0.091 0.000 0.873 102 E CB 0.755 30.523 29.700 0.112 0.000 1.294 102 E HN 0.655 9.015 8.360 -0.000 0.000 0.435 103 T N -0.591 114.017 114.554 0.090 0.000 2.882 103 T HA 0.472 4.819 4.350 -0.004 0.000 0.287 103 T C -0.188 174.576 174.700 0.107 0.000 0.992 103 T CA -0.743 61.408 62.100 0.084 0.000 1.076 103 T CB 0.394 69.315 68.868 0.088 0.000 0.961 103 T HN 0.502 8.742 8.240 -0.000 0.000 0.490 104 N N 1.177 119.926 118.700 0.082 0.000 2.818 104 N HA 0.247 4.984 4.740 -0.004 0.000 0.301 104 N C -0.919 174.639 175.510 0.080 0.000 1.821 104 N CA -0.536 52.567 53.050 0.088 0.000 0.930 104 N CB 0.841 39.350 38.487 0.037 0.000 1.263 104 N HN 0.601 8.981 8.380 -0.000 0.000 0.487 105 T N 1.166 115.795 114.554 0.125 0.000 2.814 105 T HA 0.233 4.580 4.350 -0.004 0.000 0.297 105 T C 0.279 175.079 174.700 0.166 0.000 0.956 105 T CA -0.027 62.139 62.100 0.110 0.000 1.123 105 T CB 0.925 69.867 68.868 0.122 0.000 0.902 105 T HN 0.105 8.345 8.240 -0.000 0.000 0.528 106 I N 4.582 125.205 120.570 0.088 0.000 2.339 106 I HA 0.217 4.384 4.170 -0.004 0.000 0.290 106 I C 0.499 176.752 176.117 0.227 0.000 0.994 106 I CA -0.608 60.790 61.300 0.162 0.000 1.191 106 I CB 1.377 39.376 38.000 -0.002 0.000 1.343 106 I HN 0.551 8.761 8.210 -0.000 0.000 0.458 107 L N 4.557 125.982 121.223 0.337 0.000 2.354 107 L HA 0.101 4.439 4.340 -0.004 0.000 0.212 107 L C 0.876 178.053 176.870 0.511 0.000 1.091 107 L CA 0.720 55.778 54.840 0.365 0.000 0.828 107 L CB -0.242 41.958 42.059 0.236 0.000 0.973 107 L HN 0.787 9.017 8.230 -0.000 0.000 0.461 108 S N -2.858 113.180 115.700 0.564 0.000 2.567 108 S HA 0.571 5.039 4.470 -0.004 0.000 0.270 108 S C -2.113 172.942 174.600 0.759 0.000 1.152 108 S CA -0.774 57.774 58.200 0.580 0.000 0.835 108 S CB 1.763 65.172 63.200 0.347 0.000 1.115 108 S HN 0.100 8.410 8.310 -0.000 0.000 0.459 109 W N 2.082 123.694 121.300 0.521 0.000 3.827 109 W HA 0.657 5.314 4.660 -0.005 0.000 0.307 109 W C -1.564 175.197 176.519 0.402 0.000 1.204 109 W CA -0.110 57.557 57.345 0.537 0.000 1.250 109 W CB 1.271 31.131 29.460 0.667 0.000 1.281 109 W HN 1.391 9.571 8.180 -0.000 0.000 0.494 110 S N 4.741 120.606 115.700 0.275 0.000 2.569 110 S HA 0.900 5.367 4.470 -0.004 0.000 0.280 110 S C -1.694 172.697 174.600 -0.348 0.000 1.111 110 S CA -0.641 57.416 58.200 -0.240 0.000 0.887 110 S CB 2.731 65.893 63.200 -0.062 0.000 1.095 110 S HN 0.782 9.092 8.310 -0.000 0.000 0.476 111 F N 0.523 119.834 119.950 -1.066 0.000 2.608 111 F HA 0.699 5.224 4.527 -0.004 0.000 0.309 111 F C -1.337 174.104 175.800 -0.599 0.000 1.103 111 F CA 0.021 57.544 58.000 -0.797 0.000 0.954 111 F CB 2.157 40.480 39.000 -1.128 0.000 1.267 111 F HN 0.770 9.070 8.300 -0.000 0.000 0.444 112 T N 3.426 117.459 114.554 -0.869 0.000 2.971 112 T HA 0.555 4.902 4.350 -0.004 0.000 0.304 112 T C -1.518 172.778 174.700 -0.674 0.000 1.038 112 T CA -0.751 61.054 62.100 -0.492 0.000 1.007 112 T CB 1.640 70.409 68.868 -0.165 0.000 1.055 112 T HN 0.594 8.834 8.240 -0.000 0.000 0.451 113 S N 2.267 117.744 115.700 -0.373 0.000 2.547 113 S HA 0.736 5.203 4.470 -0.004 0.000 0.281 113 S C -1.476 173.106 174.600 -0.031 0.000 1.118 113 S CA -0.758 57.342 58.200 -0.167 0.000 0.947 113 S CB 0.904 64.099 63.200 -0.008 0.000 1.053 113 S HN 0.599 8.909 8.310 -0.000 0.000 0.482 114 K N 2.772 123.173 120.400 0.002 0.000 2.464 114 K HA 0.601 4.919 4.320 -0.004 0.000 0.253 114 K C -1.649 174.958 176.600 0.011 0.000 0.933 114 K CA -0.586 55.704 56.287 0.006 0.000 0.801 114 K CB 2.039 34.533 32.500 -0.010 0.000 1.271 114 K HN 0.503 8.753 8.250 -0.000 0.000 0.430 115 L N 2.693 123.913 121.223 -0.006 0.000 2.406 115 L HA 0.430 4.767 4.340 -0.004 0.000 0.272 115 L C -1.029 175.833 176.870 -0.013 0.000 0.980 115 L CA -0.654 54.167 54.840 -0.031 0.000 0.831 115 L CB 1.839 43.828 42.059 -0.117 0.000 1.253 115 L HN 0.480 8.710 8.230 -0.000 0.000 0.406 116 K N 2.594 122.991 120.400 -0.004 0.000 2.307 116 K HA 0.475 4.792 4.320 -0.004 0.000 0.263 116 K C -0.660 175.944 176.600 0.006 0.000 0.973 116 K CA -0.188 56.104 56.287 0.008 0.000 0.846 116 K CB 1.867 34.369 32.500 0.005 0.000 1.100 116 K HN 0.504 8.754 8.250 -0.000 0.000 0.438 117 S N 2.605 118.313 115.700 0.014 0.000 2.738 117 S HA 0.229 4.696 4.470 -0.004 0.000 0.284 117 S C -0.143 174.471 174.600 0.023 0.000 1.146 117 S CA -0.772 57.439 58.200 0.018 0.000 0.997 117 S CB 0.602 63.815 63.200 0.022 0.000 1.081 117 S HN 0.742 9.052 8.310 -0.000 0.000 0.553 118 N N 1.439 120.154 118.700 0.026 0.000 2.950 118 N HA 0.212 4.949 4.740 -0.004 0.000 0.313 118 N C -1.205 174.321 175.510 0.026 0.000 1.213 118 N CA 0.125 53.189 53.050 0.024 0.000 1.184 118 N CB 0.075 38.577 38.487 0.025 0.000 1.454 118 N HN 0.243 8.623 8.380 -0.000 0.000 0.532 119 S N -1.103 114.614 115.700 0.029 0.000 2.567 119 S HA 0.228 4.695 4.470 -0.004 0.000 0.270 119 S C -0.696 173.930 174.600 0.043 0.000 1.152 119 S CA -1.137 57.084 58.200 0.034 0.000 0.835 119 S CB 1.092 64.314 63.200 0.036 0.000 1.115 119 S HN 0.387 8.697 8.310 -0.000 0.000 0.459 120 T N 1.557 116.139 114.554 0.047 0.000 2.793 120 T HA 0.227 4.575 4.350 -0.004 0.000 0.289 120 T C 0.640 175.420 174.700 0.133 0.000 0.956 120 T CA 0.376 62.516 62.100 0.067 0.000 1.177 120 T CB -0.196 68.706 68.868 0.056 0.000 0.897 120 T HN 0.856 9.096 8.240 -0.000 0.000 0.533 121 H N 0.831 119.900 119.070 -0.002 0.000 3.284 121 H HA -0.189 4.365 4.556 -0.005 0.000 0.257 121 H C 0.076 175.404 175.328 0.001 0.000 1.091 121 H CA 1.424 57.471 56.048 -0.003 0.000 1.190 121 H CB -1.357 28.404 29.762 -0.003 0.000 1.268 121 H HN 0.903 9.183 8.280 -0.000 0.000 0.322 122 E N 1.526 121.814 120.200 0.146 0.000 1.791 122 E HA 0.129 4.477 4.350 -0.004 0.000 0.263 122 E C -0.113 176.536 176.600 0.081 0.000 1.213 122 E CA 0.242 56.689 56.400 0.080 0.000 0.991 122 E CB 0.302 30.033 29.700 0.052 0.000 1.068 122 E HN 0.244 8.604 8.360 -0.000 0.000 0.417 123 T N 2.591 117.204 114.554 0.098 0.000 2.841 123 T HA 0.332 4.680 4.350 -0.004 0.000 0.283 123 T C -0.320 174.411 174.700 0.052 0.000 1.000 123 T CA -0.869 61.277 62.100 0.077 0.000 0.977 123 T CB 1.096 70.030 68.868 0.110 0.000 0.979 123 T HN 0.173 8.413 8.240 -0.000 0.000 0.446 124 N N 1.340 120.063 118.700 0.040 0.000 2.362 124 N HA 0.784 5.522 4.740 -0.004 0.000 0.298 124 N C -0.964 174.573 175.510 0.046 0.000 1.048 124 N CA -0.437 52.642 53.050 0.049 0.000 0.858 124 N CB 1.751 40.270 38.487 0.054 0.000 1.218 124 N HN 0.845 9.225 8.380 -0.000 0.000 0.488 125 A N 1.147 124.003 122.820 0.061 0.000 2.556 125 A HA 0.804 5.121 4.320 -0.004 0.000 0.294 125 A C -1.794 175.847 177.584 0.094 0.000 1.091 125 A CA -0.499 51.574 52.037 0.059 0.000 0.704 125 A CB 1.269 20.291 19.000 0.037 0.000 1.300 125 A HN 0.537 8.687 8.150 -0.000 0.000 0.406 126 L N 0.878 122.160 121.223 0.099 0.000 2.455 126 L HA 0.845 5.182 4.340 -0.004 0.000 0.264 126 L C -1.174 175.757 176.870 0.103 0.000 0.968 126 L CA -0.040 54.888 54.840 0.147 0.000 0.827 126 L CB 2.157 44.357 42.059 0.235 0.000 1.317 126 L HN 1.029 9.259 8.230 -0.000 0.000 0.407 127 H N 3.948 123.004 119.070 -0.023 0.000 3.029 127 H HA 0.695 5.249 4.556 -0.004 0.000 0.358 127 H C -1.983 173.260 175.328 -0.141 0.000 1.129 127 H CA -0.595 55.357 56.048 -0.160 0.000 1.230 127 H CB 1.375 31.046 29.762 -0.151 0.000 1.827 127 H HN 0.556 8.835 8.280 -0.000 0.000 0.530 128 F N 3.334 122.606 119.950 -1.129 0.000 2.619 128 F HA 0.599 5.124 4.527 -0.004 0.000 0.308 128 F C -1.785 173.313 175.800 -1.170 0.000 1.097 128 F CA -1.292 56.047 58.000 -1.102 0.000 0.953 128 F CB 1.739 40.020 39.000 -1.199 0.000 1.287 128 F HN 0.614 8.914 8.300 -0.000 0.000 0.446 129 M N 4.216 123.386 119.600 -0.718 0.000 2.267 129 M HA 0.642 5.120 4.480 -0.004 0.000 0.289 129 M C -2.521 173.502 176.300 -0.463 0.000 1.043 129 M CA -0.347 54.675 55.300 -0.463 0.000 0.928 129 M CB 1.640 34.125 32.600 -0.192 0.000 1.613 129 M HN 0.671 8.961 8.290 -0.000 0.000 0.450 130 F N 4.020 123.952 119.950 -0.030 0.000 2.427 130 F HA 0.468 4.993 4.527 -0.004 0.000 0.348 130 F C 0.632 176.328 175.800 -0.173 0.000 1.125 130 F CA -0.557 57.325 58.000 -0.197 0.000 0.989 130 F CB 1.260 40.056 39.000 -0.340 0.000 1.165 130 F HN 0.639 8.939 8.300 -0.000 0.000 0.442 131 N N 1.367 120.060 118.700 -0.013 0.000 2.397 131 N HA 0.021 4.758 4.740 -0.004 0.000 0.190 131 N C -0.235 175.273 175.510 -0.004 0.000 1.099 131 N CA 0.268 53.341 53.050 0.039 0.000 0.876 131 N CB 0.719 39.236 38.487 0.049 0.000 1.143 131 N HN 0.596 8.976 8.380 -0.000 0.000 0.468 132 Q N -0.278 119.450 119.800 -0.120 0.000 2.372 132 Q HA 0.445 4.782 4.340 -0.004 0.000 0.273 132 Q C -1.861 174.001 176.000 -0.230 0.000 1.078 132 Q CA -0.442 55.329 55.803 -0.053 0.000 0.806 132 Q CB 1.482 30.235 28.738 0.026 0.000 1.332 132 Q HN -0.119 8.151 8.270 -0.000 0.000 0.435 133 F N 1.575 121.593 119.950 0.113 0.000 2.444 133 F HA 0.530 5.054 4.527 -0.004 0.000 0.342 133 F C 0.298 176.125 175.800 0.045 0.000 1.121 133 F CA -0.556 57.476 58.000 0.054 0.000 0.997 133 F CB 2.049 41.058 39.000 0.015 0.000 1.130 133 F HN 0.586 8.886 8.300 -0.000 0.000 0.454 134 S N 1.919 117.723 115.700 0.173 0.000 2.713 134 S HA 0.368 4.835 4.470 -0.004 0.000 0.283 134 S C 1.020 175.677 174.600 0.095 0.000 1.161 134 S CA -0.886 57.382 58.200 0.114 0.000 0.999 134 S CB 1.763 65.010 63.200 0.079 0.000 1.039 134 S HN 0.763 9.073 8.310 -0.000 0.000 0.548 135 K N -0.147 120.293 120.400 0.066 0.000 2.097 135 K HA -0.115 4.202 4.320 -0.004 0.000 0.206 135 K C -0.115 176.505 176.600 0.034 0.000 1.049 135 K CA 1.658 57.973 56.287 0.046 0.000 0.933 135 K CB -0.144 32.377 32.500 0.036 0.000 0.717 135 K HN 0.723 8.973 8.250 -0.000 0.000 0.442 136 D N 0.580 120.999 120.400 0.032 0.000 2.483 136 D HA 0.041 4.679 4.640 -0.004 0.000 0.281 136 D C -1.302 175.010 176.300 0.020 0.000 1.174 136 D CA -0.317 53.694 54.000 0.017 0.000 0.938 136 D CB 0.766 41.570 40.800 0.008 0.000 1.002 136 D HN -0.086 8.284 8.370 -0.000 0.000 0.501 137 Q N 2.364 122.180 119.800 0.027 0.000 2.844 137 Q HA 0.156 4.494 4.340 -0.004 0.000 0.235 137 Q C 0.849 176.847 176.000 -0.004 0.000 1.336 137 Q CA 0.041 55.862 55.803 0.031 0.000 1.026 137 Q CB 0.314 29.080 28.738 0.048 0.000 1.513 137 Q HN 0.256 8.526 8.270 -0.000 0.000 0.577 138 K N 0.732 121.110 120.400 -0.037 0.000 2.281 138 K HA -0.148 4.169 4.320 -0.004 0.000 0.203 138 K C 0.345 176.816 176.600 -0.215 0.000 1.046 138 K CA 1.380 57.595 56.287 -0.121 0.000 0.938 138 K CB 0.262 32.668 32.500 -0.156 0.000 0.737 138 K HN 0.584 8.834 8.250 -0.000 0.000 0.458 139 D N 0.135 120.463 120.400 -0.120 0.000 2.319 139 D HA 0.011 4.648 4.640 -0.004 0.000 0.230 139 D C 0.187 176.443 176.300 -0.073 0.000 1.094 139 D CA 0.230 54.129 54.000 -0.169 0.000 0.856 139 D CB -0.067 40.728 40.800 -0.010 0.000 0.915 139 D HN 0.060 8.430 8.370 -0.000 0.000 0.517 140 L N 0.306 121.535 121.223 0.010 0.000 2.381 140 L HA 0.471 4.808 4.340 -0.004 0.000 0.268 140 L C -0.434 176.485 176.870 0.081 0.000 0.997 140 L CA -1.034 53.836 54.840 0.051 0.000 0.818 140 L CB 2.651 44.722 42.059 0.020 0.000 1.310 140 L HN -0.185 8.045 8.230 -0.000 0.000 0.416 141 I N 4.207 124.819 120.570 0.071 0.000 2.330 141 I HA 0.288 4.455 4.170 -0.004 0.000 0.286 141 I C -0.416 175.715 176.117 0.024 0.000 1.025 141 I CA -0.348 60.979 61.300 0.044 0.000 1.197 141 I CB 1.091 39.081 38.000 -0.018 0.000 1.358 141 I HN 0.319 8.529 8.210 -0.000 0.000 0.467 142 L N 7.276 128.506 121.223 0.012 0.000 2.276 142 L HA 0.398 4.735 4.340 -0.004 0.000 0.286 142 L C -0.096 176.765 176.870 -0.016 0.000 1.061 142 L CA -0.319 54.516 54.840 -0.008 0.000 0.807 142 L CB 0.747 42.795 42.059 -0.017 0.000 1.177 142 L HN 0.573 8.803 8.230 -0.000 0.000 0.429 143 Q N 1.623 121.409 119.800 -0.024 0.000 2.348 143 Q HA 0.614 4.951 4.340 -0.004 0.000 0.271 143 Q C 0.555 176.528 176.000 -0.046 0.000 1.067 143 Q CA -0.162 55.620 55.803 -0.034 0.000 0.839 143 Q CB 2.457 31.173 28.738 -0.038 0.000 1.354 143 Q HN 0.807 9.077 8.270 -0.000 0.000 0.447 144 G N 1.966 110.737 108.800 -0.048 0.000 2.583 144 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.292 144 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.292 144 G C -0.025 174.849 174.900 -0.043 0.000 1.203 144 G CA 0.379 45.448 45.100 -0.050 0.000 0.987 144 G HN 0.749 9.039 8.290 -0.000 0.000 0.554 145 D N 2.036 122.409 120.400 -0.045 0.000 2.340 145 D HA 0.423 5.060 4.640 -0.004 0.000 0.220 145 D C 1.440 177.714 176.300 -0.042 0.000 1.039 145 D CA 0.894 54.871 54.000 -0.039 0.000 0.866 145 D CB -0.213 40.565 40.800 -0.036 0.000 0.913 145 D HN 0.862 9.232 8.370 -0.000 0.000 0.523 146 A N 1.157 123.947 122.820 -0.051 0.000 2.520 146 A HA 0.398 4.715 4.320 -0.004 0.000 0.245 146 A C 0.768 178.319 177.584 -0.055 0.000 1.072 146 A CA 0.155 52.155 52.037 -0.062 0.000 0.761 146 A CB 0.011 18.968 19.000 -0.072 0.000 1.004 146 A HN 0.161 8.311 8.150 -0.000 0.000 0.499 147 T N -0.464 114.052 114.554 -0.062 0.000 2.900 147 T HA 0.779 5.127 4.350 -0.004 0.000 0.303 147 T C -0.341 174.322 174.700 -0.062 0.000 1.142 147 T CA -0.078 61.994 62.100 -0.046 0.000 1.007 147 T CB 1.580 70.433 68.868 -0.026 0.000 1.156 147 T HN 1.193 9.433 8.240 -0.000 0.000 0.490 148 T N -1.992 112.543 114.554 -0.031 0.000 2.930 148 T HA 0.794 5.141 4.350 -0.004 0.000 0.290 148 T C 1.064 175.789 174.700 0.041 0.000 1.052 148 T CA -0.105 61.991 62.100 -0.006 0.000 1.017 148 T CB 1.269 70.159 68.868 0.037 0.000 1.137 148 T HN 2.047 10.287 8.240 -0.000 0.000 0.511 149 G N 0.746 109.597 108.800 0.085 0.000 2.313 149 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.215 149 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.215 149 G C 0.329 175.272 174.900 0.071 0.000 1.023 149 G CA -0.107 45.041 45.100 0.081 0.000 0.626 149 G HN 1.122 9.412 8.290 -0.000 0.000 0.503 150 T N 2.995 117.582 114.554 0.055 0.000 2.800 150 T HA 0.420 4.768 4.350 -0.004 0.000 0.266 150 T C 0.443 175.185 174.700 0.070 0.000 0.939 150 T CA 0.870 63.001 62.100 0.051 0.000 1.199 150 T CB 0.188 69.077 68.868 0.034 0.000 0.899 150 T HN 0.489 8.729 8.240 -0.000 0.000 0.555 151 D N 2.258 122.701 120.400 0.071 0.000 2.945 151 D HA -0.191 4.446 4.640 -0.004 0.000 0.225 151 D C 1.262 177.628 176.300 0.110 0.000 1.158 151 D CA 1.531 55.579 54.000 0.080 0.000 0.805 151 D CB -1.499 39.345 40.800 0.074 0.000 1.098 151 D HN 1.080 9.450 8.370 -0.000 0.000 0.426 152 G N -0.822 108.054 108.800 0.127 0.000 2.155 152 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.257 152 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.257 152 G C 0.246 175.321 174.900 0.292 0.000 0.983 152 G CA 0.519 45.728 45.100 0.182 0.000 0.676 152 G HN 0.472 8.762 8.290 -0.000 0.000 0.528 153 N N -0.731 118.102 118.700 0.221 0.000 2.518 153 N HA 0.674 5.412 4.740 -0.004 0.000 0.284 153 N C -0.525 174.975 175.510 -0.017 0.000 1.230 153 N CA -0.698 52.473 53.050 0.202 0.000 0.941 153 N CB 1.536 40.099 38.487 0.126 0.000 1.219 153 N HN 0.277 8.657 8.380 -0.000 0.000 0.560 154 L N 1.167 122.208 121.223 -0.303 0.000 2.295 154 L HA 0.329 4.666 4.340 -0.004 0.000 0.281 154 L C -0.590 176.144 176.870 -0.226 0.000 1.018 154 L CA -0.265 54.279 54.840 -0.495 0.000 0.841 154 L CB 0.448 41.853 42.059 -1.090 0.000 1.218 154 L HN 0.279 8.509 8.230 -0.000 0.000 0.424 155 E N 6.131 126.251 120.200 -0.134 0.000 2.014 155 E HA 0.155 4.502 4.350 -0.004 0.000 0.275 155 E C 0.896 177.447 176.600 -0.082 0.000 0.997 155 E CA -0.117 56.242 56.400 -0.069 0.000 0.804 155 E CB 1.390 31.071 29.700 -0.032 0.000 1.090 155 E HN 0.769 9.129 8.360 -0.000 0.000 0.401 156 L N 1.470 122.643 121.223 -0.083 0.000 2.093 156 L HA -0.112 4.225 4.340 -0.004 0.000 0.208 156 L C 1.347 178.182 176.870 -0.059 0.000 1.085 156 L CA 1.195 55.983 54.840 -0.086 0.000 0.755 156 L CB -0.261 41.742 42.059 -0.093 0.000 0.904 156 L HN 0.390 8.620 8.230 -0.000 0.000 0.435 157 T N -3.248 111.284 114.554 -0.036 0.000 2.942 157 T HA 0.354 4.702 4.350 -0.004 0.000 0.289 157 T C -0.113 174.576 174.700 -0.018 0.000 1.044 157 T CA -0.922 61.162 62.100 -0.027 0.000 1.023 157 T CB 2.049 70.907 68.868 -0.017 0.000 1.123 157 T HN -0.034 8.206 8.240 -0.000 0.000 0.512 158 R N 0.712 121.202 120.500 -0.017 0.000 2.458 158 R HA 0.408 4.745 4.340 -0.004 0.000 0.303 158 R C -1.171 175.128 176.300 -0.001 0.000 1.013 158 R CA -0.023 56.070 56.100 -0.011 0.000 1.026 158 R CB -0.219 30.073 30.300 -0.015 0.000 0.948 158 R HN 0.529 8.799 8.270 -0.000 0.000 0.417 159 V N 4.860 124.775 119.914 0.003 0.000 2.531 159 V HA 0.171 4.288 4.120 -0.004 0.000 0.301 159 V C 0.130 176.230 176.094 0.010 0.000 1.034 159 V CA -0.732 61.575 62.300 0.011 0.000 0.865 159 V CB 1.817 33.650 31.823 0.018 0.000 0.995 159 V HN 1.049 9.239 8.190 -0.000 0.000 0.424 160 S N 3.543 119.250 115.700 0.011 0.000 2.592 160 S HA 0.048 4.515 4.470 -0.004 0.000 0.256 160 S C 1.501 176.108 174.600 0.012 0.000 1.369 160 S CA 0.232 58.438 58.200 0.010 0.000 0.984 160 S CB 0.652 63.859 63.200 0.010 0.000 0.919 160 S HN 0.964 9.274 8.310 -0.000 0.000 0.576 161 S N 1.476 117.183 115.700 0.011 0.000 2.382 161 S HA -0.212 4.255 4.470 -0.004 0.000 0.228 161 S C 1.436 176.045 174.600 0.016 0.000 1.027 161 S CA 1.180 59.387 58.200 0.013 0.000 0.991 161 S CB -1.192 62.014 63.200 0.010 0.000 0.823 161 S HN 0.966 9.276 8.310 -0.000 0.000 0.469 162 N N 1.363 120.072 118.700 0.015 0.000 2.515 162 N HA 0.276 5.013 4.740 -0.004 0.000 0.185 162 N C 1.222 176.745 175.510 0.021 0.000 1.109 162 N CA 0.868 53.928 53.050 0.017 0.000 0.903 162 N CB -0.378 38.118 38.487 0.015 0.000 0.969 162 N HN 0.556 8.936 8.380 -0.000 0.000 0.450 163 G N -0.737 108.076 108.800 0.022 0.000 2.232 163 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.226 163 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.226 163 G C 0.114 175.031 174.900 0.028 0.000 0.996 163 G CA 0.117 45.233 45.100 0.027 0.000 0.626 163 G HN 0.819 9.109 8.290 -0.000 0.000 0.509 164 S N 2.137 117.852 115.700 0.025 0.000 2.549 164 S HA 0.566 5.034 4.470 -0.004 0.000 0.283 164 S C -1.802 172.814 174.600 0.026 0.000 1.320 164 S CA -0.552 57.665 58.200 0.027 0.000 1.058 164 S CB 1.791 65.005 63.200 0.023 0.000 0.882 164 S HN 0.466 8.776 8.310 -0.000 0.000 0.498 165 P HA 0.180 4.600 4.420 -0.000 0.000 0.275 165 P C -0.943 176.370 177.300 0.021 0.000 1.227 165 P CA -0.361 62.757 63.100 0.030 0.000 0.781 165 P CB 0.605 32.331 31.700 0.044 0.000 0.906 166 Q N 1.179 120.985 119.800 0.011 0.000 2.245 166 Q HA 0.480 4.817 4.340 -0.004 0.000 0.256 166 Q C 0.708 176.702 176.000 -0.009 0.000 0.942 166 Q CA -0.496 55.306 55.803 -0.001 0.000 0.896 166 Q CB 1.858 30.591 28.738 -0.007 0.000 1.272 166 Q HN 0.538 8.808 8.270 -0.000 0.000 0.442 167 G N 0.206 108.993 108.800 -0.022 0.000 2.562 167 G HA2 0.286 4.243 3.960 -0.004 0.000 0.275 167 G HA3 0.286 4.243 3.960 -0.004 0.000 0.275 167 G C -0.398 174.472 174.900 -0.050 0.000 1.196 167 G CA -0.425 44.648 45.100 -0.043 0.000 0.908 167 G HN 0.637 8.927 8.290 -0.000 0.000 0.524 168 S N -1.358 114.305 115.700 -0.063 0.000 3.436 168 S HA -0.120 4.347 4.470 -0.004 0.000 0.393 168 S C 0.162 174.735 174.600 -0.046 0.000 0.914 168 S CA 0.976 59.141 58.200 -0.059 0.000 1.317 168 S CB -1.350 61.814 63.200 -0.060 0.000 0.920 168 S HN 1.213 9.523 8.310 -0.000 0.000 0.564 169 S N 0.553 116.227 115.700 -0.042 0.000 2.540 169 S HA 0.801 5.268 4.470 -0.004 0.000 0.275 169 S C -0.561 174.013 174.600 -0.044 0.000 1.123 169 S CA -0.333 57.844 58.200 -0.038 0.000 0.907 169 S CB 1.517 64.699 63.200 -0.029 0.000 1.081 169 S HN 0.829 9.139 8.310 -0.000 0.000 0.476 170 V N 1.206 121.090 119.914 -0.051 0.000 3.007 170 V HA 1.042 5.160 4.120 -0.004 0.000 0.311 170 V C 0.302 176.355 176.094 -0.068 0.000 1.120 170 V CA -0.449 61.812 62.300 -0.066 0.000 0.980 170 V CB 1.363 33.139 31.823 -0.079 0.000 1.033 170 V HN 1.229 9.419 8.190 -0.000 0.000 0.429 171 G N 1.940 110.692 108.800 -0.080 0.000 2.655 171 G HA2 0.742 4.700 3.960 -0.004 0.000 0.296 171 G HA3 0.742 4.700 3.960 -0.004 0.000 0.296 171 G C -1.622 173.228 174.900 -0.084 0.000 1.485 171 G CA -0.929 44.126 45.100 -0.076 0.000 0.869 171 G HN 0.755 9.045 8.290 -0.000 0.000 0.540 172 R N -0.616 119.845 120.500 -0.065 0.000 2.799 172 R HA 0.857 5.195 4.340 -0.004 0.000 0.270 172 R C -0.976 175.313 176.300 -0.018 0.000 1.010 172 R CA -0.858 55.226 56.100 -0.026 0.000 0.916 172 R CB 2.553 32.866 30.300 0.022 0.000 1.228 172 R HN 1.033 9.303 8.270 -0.000 0.000 0.469 173 A N 1.817 124.631 122.820 -0.009 0.000 2.414 173 A HA 0.649 4.967 4.320 -0.004 0.000 0.286 173 A C -1.558 176.068 177.584 0.071 0.000 1.073 173 A CA -0.533 51.509 52.037 0.009 0.000 0.727 173 A CB 0.786 19.761 19.000 -0.042 0.000 1.215 173 A HN 0.396 8.546 8.150 -0.000 0.000 0.430 174 L N 1.979 123.269 121.223 0.112 0.000 2.346 174 L HA 0.598 4.935 4.340 -0.004 0.000 0.274 174 L C -0.265 176.710 176.870 0.174 0.000 1.007 174 L CA -0.448 54.462 54.840 0.116 0.000 0.818 174 L CB 1.570 43.642 42.059 0.022 0.000 1.284 174 L HN 0.701 8.931 8.230 -0.000 0.000 0.424 175 F N 1.041 121.013 119.950 0.036 0.000 2.484 175 F HA 0.072 4.597 4.527 -0.004 0.000 0.360 175 F C 1.055 176.824 175.800 -0.052 0.000 1.101 175 F CA 0.011 57.931 58.000 -0.134 0.000 1.251 175 F CB 0.500 39.229 39.000 -0.452 0.000 1.132 175 F HN 0.487 8.787 8.300 -0.000 0.000 0.570 176 Y N 4.221 123.981 120.300 -0.899 0.000 2.114 176 Y HA -0.058 4.489 4.550 -0.005 0.000 0.282 176 Y C 1.266 176.867 175.900 -0.498 0.000 1.165 176 Y CA 1.619 59.337 58.100 -0.638 0.000 1.148 176 Y CB -0.466 37.631 38.460 -0.604 0.000 0.972 176 Y HN 0.591 8.871 8.280 -0.000 0.000 0.504 177 A N 0.573 123.091 122.820 -0.503 0.000 2.354 177 A HA 0.412 4.730 4.320 -0.004 0.000 0.269 177 A C -2.474 175.155 177.584 0.077 0.000 1.109 177 A CA -1.450 50.534 52.037 -0.088 0.000 0.800 177 A CB -0.185 18.882 19.000 0.112 0.000 1.045 177 A HN 0.140 8.290 8.150 -0.000 0.000 0.489 178 P HA 0.327 4.747 4.420 -0.000 0.000 0.275 178 P C -0.905 176.644 177.300 0.416 0.000 1.228 178 P CA -0.143 63.086 63.100 0.215 0.000 0.786 178 P CB 0.961 32.760 31.700 0.166 0.000 0.927 179 V N 2.761 122.874 119.914 0.331 0.000 2.398 179 V HA 0.176 4.293 4.120 -0.004 0.000 0.286 179 V C 0.243 176.335 176.094 -0.004 0.000 1.026 179 V CA -0.469 61.977 62.300 0.243 0.000 0.868 179 V CB 0.819 32.760 31.823 0.197 0.000 0.982 179 V HN 0.579 8.769 8.190 -0.000 0.000 0.443 180 H N 3.813 122.602 119.070 -0.469 0.000 3.109 180 H HA 0.206 4.759 4.556 -0.004 0.000 0.266 180 H C 0.950 176.016 175.328 -0.436 0.000 1.334 180 H CA -0.512 54.913 56.048 -1.037 0.000 1.456 180 H CB 0.762 29.770 29.762 -1.256 0.000 1.587 180 H HN 0.673 8.953 8.280 -0.000 0.000 0.500 181 I N 6.003 126.486 120.570 -0.144 0.000 2.546 181 I HA -0.083 4.084 4.170 -0.004 0.000 0.255 181 I C 0.079 176.296 176.117 0.167 0.000 1.163 181 I CA 0.690 62.025 61.300 0.059 0.000 1.457 181 I CB 0.019 38.101 38.000 0.136 0.000 1.092 181 I HN 0.574 8.784 8.210 -0.000 0.000 0.434 182 W N -0.874 120.385 121.300 -0.067 0.000 3.005 182 W HA 0.586 5.243 4.660 -0.005 0.000 0.343 182 W C -1.226 175.179 176.519 -0.191 0.000 1.243 182 W CA -0.769 56.521 57.345 -0.091 0.000 1.186 182 W CB 0.696 30.173 29.460 0.028 0.000 1.453 182 W HN -0.210 7.970 8.180 -0.000 0.000 0.575 183 E N 0.584 120.955 120.200 0.285 0.000 2.354 183 E HA 0.194 4.542 4.350 -0.004 0.000 0.283 183 E C 0.673 177.472 176.600 0.332 0.000 0.938 183 E CA 0.134 56.638 56.400 0.174 0.000 0.777 183 E CB 2.435 32.045 29.700 -0.150 0.000 1.222 183 E HN 0.463 8.823 8.360 -0.000 0.000 0.423 184 S N 1.565 117.488 115.700 0.373 0.000 2.374 184 S HA -0.156 4.312 4.470 -0.004 0.000 0.227 184 S C 1.259 175.941 174.600 0.138 0.000 1.037 184 S CA 1.533 59.883 58.200 0.250 0.000 1.024 184 S CB -0.128 63.210 63.200 0.230 0.000 0.861 184 S HN 0.307 8.617 8.310 -0.000 0.000 0.456 185 S N 1.696 117.463 115.700 0.111 0.000 2.679 185 S HA 0.626 5.093 4.470 -0.004 0.000 0.233 185 S C 0.361 174.991 174.600 0.050 0.000 0.951 185 S CA 0.007 58.250 58.200 0.071 0.000 0.973 185 S CB -0.079 63.160 63.200 0.065 0.000 0.778 185 S HN 0.740 9.050 8.310 -0.000 0.000 0.477 186 A N 0.797 123.649 122.820 0.054 0.000 2.289 186 A HA 0.557 4.874 4.320 -0.004 0.000 0.298 186 A C 1.174 178.775 177.584 0.027 0.000 1.208 186 A CA -0.532 51.523 52.037 0.030 0.000 0.845 186 A CB 0.462 19.477 19.000 0.024 0.000 1.125 186 A HN 0.183 8.333 8.150 -0.000 0.000 0.517 187 V N 2.757 122.680 119.914 0.014 0.000 2.323 187 V HA -0.048 4.069 4.120 -0.004 0.000 0.244 187 V C 0.672 176.764 176.094 -0.004 0.000 1.041 187 V CA 1.569 63.871 62.300 0.004 0.000 1.025 187 V CB -0.500 31.322 31.823 -0.002 0.000 0.656 187 V HN 0.622 8.812 8.190 -0.000 0.000 0.451 188 V N -1.286 118.625 119.914 -0.004 0.000 2.925 188 V HA 0.891 5.008 4.120 -0.004 0.000 0.311 188 V C -0.664 175.433 176.094 0.005 0.000 1.104 188 V CA -0.247 62.045 62.300 -0.013 0.000 0.954 188 V CB 1.676 33.481 31.823 -0.031 0.000 1.022 188 V HN 0.297 8.487 8.190 -0.000 0.000 0.427 189 A N 2.440 125.272 122.820 0.019 0.000 2.488 189 A HA 0.998 5.315 4.320 -0.004 0.000 0.298 189 A C -0.533 177.095 177.584 0.074 0.000 1.044 189 A CA -0.048 52.030 52.037 0.068 0.000 0.693 189 A CB 2.057 21.140 19.000 0.138 0.000 1.272 189 A HN 1.564 9.714 8.150 -0.000 0.000 0.402 190 S N 0.283 116.039 115.700 0.094 0.000 2.588 190 S HA 0.912 5.379 4.470 -0.004 0.000 0.269 190 S C -0.901 173.790 174.600 0.153 0.000 1.157 190 S CA -0.575 57.663 58.200 0.064 0.000 0.824 190 S CB 1.422 64.587 63.200 -0.057 0.000 1.126 190 S HN 2.033 10.343 8.310 -0.000 0.000 0.464 191 F N -0.935 119.019 119.950 0.007 0.000 2.654 191 F HA 0.873 5.397 4.527 -0.004 0.000 0.308 191 F C -1.163 174.533 175.800 -0.173 0.000 1.108 191 F CA -0.726 57.184 58.000 -0.150 0.000 0.957 191 F CB 1.470 40.450 39.000 -0.032 0.000 1.309 191 F HN 0.936 9.236 8.300 -0.000 0.000 0.446 192 E N 2.369 122.531 120.200 -0.064 0.000 2.275 192 E HA 0.768 5.115 4.350 -0.004 0.000 0.270 192 E C -2.021 174.510 176.600 -0.115 0.000 0.882 192 E CA -1.113 55.202 56.400 -0.143 0.000 0.758 192 E CB 2.135 31.735 29.700 -0.166 0.000 1.195 192 E HN 1.188 9.548 8.360 -0.000 0.000 0.419 193 A N 2.943 125.704 122.820 -0.100 0.000 2.393 193 A HA 0.757 5.075 4.320 -0.004 0.000 0.306 193 A C -0.994 176.572 177.584 -0.030 0.000 1.050 193 A CA -0.515 51.517 52.037 -0.009 0.000 0.724 193 A CB 2.134 20.919 19.000 -0.358 0.000 1.248 193 A HN 0.498 8.648 8.150 -0.000 0.000 0.424 194 T N 2.074 116.770 114.554 0.236 0.000 3.032 194 T HA 0.690 5.038 4.350 -0.004 0.000 0.312 194 T C -1.141 173.863 174.700 0.507 0.000 1.078 194 T CA -0.212 62.053 62.100 0.275 0.000 1.028 194 T CB 0.810 69.842 68.868 0.273 0.000 1.091 194 T HN 1.145 9.385 8.240 -0.000 0.000 0.457 195 F N -0.632 119.479 119.950 0.269 0.000 2.641 195 F HA 0.791 5.315 4.527 -0.004 0.000 0.308 195 F C -0.456 175.510 175.800 0.277 0.000 1.105 195 F CA -1.143 57.050 58.000 0.321 0.000 0.964 195 F CB 0.965 40.115 39.000 0.251 0.000 1.294 195 F HN 0.527 8.827 8.300 -0.000 0.000 0.442 196 T N 0.641 115.407 114.554 0.353 0.000 2.855 196 T HA 0.841 5.188 4.350 -0.004 0.000 0.281 196 T C -0.945 173.938 174.700 0.305 0.000 1.007 196 T CA -0.556 61.615 62.100 0.118 0.000 1.009 196 T CB 1.709 70.600 68.868 0.039 0.000 0.983 196 T HN 0.918 9.158 8.240 -0.000 0.000 0.455 197 F N 0.778 120.828 119.950 0.166 0.000 2.650 197 F HA 0.890 5.414 4.527 -0.004 0.000 0.320 197 F C -1.658 174.253 175.800 0.184 0.000 1.091 197 F CA -2.021 56.104 58.000 0.208 0.000 0.962 197 F CB 1.401 40.559 39.000 0.263 0.000 1.363 197 F HN 0.605 8.905 8.300 -0.000 0.000 0.482 198 L N 2.722 124.179 121.223 0.390 0.000 2.471 198 L HA 0.574 4.911 4.340 -0.004 0.000 0.263 198 L C -1.697 175.373 176.870 0.333 0.000 0.985 198 L CA -0.630 54.381 54.840 0.286 0.000 0.868 198 L CB 1.131 43.296 42.059 0.176 0.000 1.203 198 L HN 0.678 8.908 8.230 -0.000 0.000 0.429 199 I N 4.751 125.563 120.570 0.403 0.000 2.307 199 I HA 0.384 4.551 4.170 -0.004 0.000 0.289 199 I C -0.115 176.124 176.117 0.203 0.000 1.021 199 I CA -0.399 61.087 61.300 0.309 0.000 1.224 199 I CB 1.070 39.294 38.000 0.373 0.000 1.376 199 I HN 0.534 8.744 8.210 -0.000 0.000 0.470 200 K N 4.525 125.012 120.400 0.146 0.000 2.376 200 K HA 0.509 4.826 4.320 -0.004 0.000 0.257 200 K C -1.001 175.649 176.600 0.083 0.000 0.939 200 K CA -0.373 55.973 56.287 0.099 0.000 0.809 200 K CB 1.828 34.380 32.500 0.086 0.000 1.121 200 K HN 0.489 8.739 8.250 -0.000 0.000 0.425 201 S N 4.775 120.513 115.700 0.064 0.000 2.707 201 S HA 0.407 4.874 4.470 -0.004 0.000 0.303 201 S C -1.858 172.766 174.600 0.039 0.000 1.132 201 S CA -1.520 56.716 58.200 0.060 0.000 1.046 201 S CB 1.244 64.484 63.200 0.066 0.000 1.004 201 S HN 0.583 8.893 8.310 -0.000 0.000 0.483 202 P HA 0.081 4.501 4.420 -0.000 0.000 0.222 202 P C 0.145 177.462 177.300 0.028 0.000 1.157 202 P CA 0.442 63.560 63.100 0.030 0.000 0.816 202 P CB -0.157 31.563 31.700 0.033 0.000 0.813 203 D N 0.228 120.659 120.400 0.052 0.000 2.380 203 D HA -0.008 4.629 4.640 -0.004 0.000 0.254 203 D C 1.151 177.459 176.300 0.012 0.000 1.288 203 D CA -0.178 53.863 54.000 0.067 0.000 1.008 203 D CB 0.107 40.996 40.800 0.149 0.000 1.099 203 D HN -0.099 8.271 8.370 -0.000 0.000 0.537 204 S N -0.657 115.041 115.700 -0.004 0.000 2.380 204 S HA -0.172 4.296 4.470 -0.004 0.000 0.229 204 S C 0.791 175.140 174.600 -0.420 0.000 1.050 204 S CA 1.168 59.248 58.200 -0.201 0.000 1.100 204 S CB -0.724 62.389 63.200 -0.144 0.000 0.984 204 S HN 0.561 8.871 8.310 -0.000 0.000 0.434 205 H N 0.294 119.204 119.070 -0.266 0.000 2.797 205 H HA 0.461 5.014 4.556 -0.004 0.000 0.372 205 H C -3.040 172.273 175.328 -0.025 0.000 1.168 205 H CA -2.162 53.778 56.048 -0.180 0.000 1.163 205 H CB 1.617 31.229 29.762 -0.249 0.000 1.778 205 H HN 0.120 8.400 8.280 -0.000 0.000 0.551 206 P HA 0.491 4.911 4.420 -0.000 0.000 0.284 206 P C -1.288 176.160 177.300 0.246 0.000 1.258 206 P CA -0.433 62.770 63.100 0.173 0.000 0.824 206 P CB 1.403 33.175 31.700 0.120 0.000 1.038 207 A N 1.191 124.123 122.820 0.188 0.000 2.590 207 A HA 0.377 4.694 4.320 -0.004 0.000 0.296 207 A C -0.451 177.190 177.584 0.096 0.000 1.050 207 A CA -0.386 51.745 52.037 0.156 0.000 0.697 207 A CB 0.629 19.627 19.000 -0.004 0.000 1.277 207 A HN 0.464 8.614 8.150 -0.000 0.000 0.411 208 D N 0.072 120.520 120.400 0.081 0.000 2.454 208 D HA 0.410 5.047 4.640 -0.004 0.000 0.214 208 D C 0.782 177.163 176.300 0.135 0.000 1.088 208 D CA 1.511 55.581 54.000 0.118 0.000 0.855 208 D CB 1.309 42.150 40.800 0.069 0.000 1.025 208 D HN 1.392 9.762 8.370 -0.000 0.000 0.502 209 G N 0.625 109.489 108.800 0.106 0.000 2.361 209 G HA2 0.114 4.072 3.960 -0.004 0.000 0.331 209 G HA3 0.114 4.072 3.960 -0.004 0.000 0.331 209 G C -1.600 173.321 174.900 0.035 0.000 1.324 209 G CA -0.906 44.254 45.100 0.100 0.000 0.984 209 G HN 0.023 8.313 8.290 -0.000 0.000 0.586 210 I N 0.227 120.795 120.570 -0.004 0.000 2.740 210 I HA 0.793 4.960 4.170 -0.004 0.000 0.303 210 I C 0.347 176.428 176.117 -0.060 0.000 1.044 210 I CA -0.946 60.318 61.300 -0.061 0.000 1.064 210 I CB 2.196 40.134 38.000 -0.103 0.000 1.249 210 I HN 1.208 9.418 8.210 -0.000 0.000 0.433 211 A N 3.680 126.457 122.820 -0.071 0.000 2.547 211 A HA 0.673 4.991 4.320 -0.004 0.000 0.297 211 A C -1.686 175.889 177.584 -0.014 0.000 1.056 211 A CA -0.387 51.648 52.037 -0.003 0.000 0.688 211 A CB 1.466 20.473 19.000 0.011 0.000 1.282 211 A HN 0.543 8.693 8.150 -0.000 0.000 0.400 212 F N 3.184 123.097 119.950 -0.062 0.000 2.415 212 F HA 0.776 5.301 4.527 -0.004 0.000 0.348 212 F C -0.846 174.989 175.800 0.058 0.000 1.119 212 F CA -1.348 56.569 58.000 -0.138 0.000 1.069 212 F CB 0.782 39.771 39.000 -0.018 0.000 1.124 212 F HN 0.595 8.895 8.300 -0.000 0.000 0.472 213 F N 5.366 124.737 119.950 -0.965 0.000 2.613 213 F HA 0.824 5.349 4.527 -0.004 0.000 0.314 213 F C -1.896 173.473 175.800 -0.718 0.000 1.075 213 F CA -1.791 55.810 58.000 -0.665 0.000 0.945 213 F CB 1.127 39.891 39.000 -0.394 0.000 1.310 213 F HN 0.270 8.570 8.300 -0.000 0.000 0.467 214 I N 2.434 122.822 120.570 -0.302 0.000 2.465 214 I HA 0.677 4.844 4.170 -0.004 0.000 0.291 214 I C -0.584 175.543 176.117 0.016 0.000 1.014 214 I CA -0.562 60.588 61.300 -0.250 0.000 1.093 214 I CB 2.128 40.030 38.000 -0.162 0.000 1.267 214 I HN 0.929 9.139 8.210 -0.000 0.000 0.431 215 S N 3.701 119.416 115.700 0.026 0.000 2.688 215 S HA 0.478 4.945 4.470 -0.004 0.000 0.275 215 S C -1.150 173.484 174.600 0.056 0.000 1.175 215 S CA -1.149 57.106 58.200 0.091 0.000 0.818 215 S CB 1.459 64.770 63.200 0.186 0.000 1.157 215 S HN 0.644 8.954 8.310 -0.000 0.000 0.482 216 N N 0.504 119.236 118.700 0.054 0.000 2.492 216 N HA 0.153 4.890 4.740 -0.004 0.000 0.260 216 N C 1.237 176.762 175.510 0.025 0.000 1.215 216 N CA -0.431 52.646 53.050 0.045 0.000 0.923 216 N CB 0.267 38.776 38.487 0.036 0.000 1.092 216 N HN 0.702 9.082 8.380 -0.000 0.000 0.448 217 I N 0.312 120.892 120.570 0.017 0.000 2.143 217 I HA -0.368 3.799 4.170 -0.004 0.000 0.245 217 I C 1.299 177.389 176.117 -0.044 0.000 1.068 217 I CA 1.971 63.260 61.300 -0.018 0.000 1.326 217 I CB -0.384 37.595 38.000 -0.036 0.000 1.028 217 I HN 0.635 8.845 8.210 -0.000 0.000 0.412 218 D N 0.103 120.479 120.400 -0.039 0.000 2.325 218 D HA -0.014 4.623 4.640 -0.004 0.000 0.234 218 D C 0.850 177.127 176.300 -0.038 0.000 1.122 218 D CA 0.009 53.980 54.000 -0.049 0.000 0.850 218 D CB -0.397 40.373 40.800 -0.049 0.000 0.921 218 D HN 0.104 8.474 8.370 -0.000 0.000 0.513 219 S N 0.196 115.883 115.700 -0.022 0.000 2.563 219 S HA 0.322 4.789 4.470 -0.004 0.000 0.284 219 S C 0.135 174.708 174.600 -0.045 0.000 1.331 219 S CA -0.189 57.993 58.200 -0.029 0.000 1.047 219 S CB 0.246 63.447 63.200 0.001 0.000 0.859 219 S HN 0.445 8.755 8.310 -0.000 0.000 0.514 220 S N 3.498 119.150 115.700 -0.079 0.000 2.607 220 S HA 0.525 4.992 4.470 -0.004 0.000 0.273 220 S C -0.594 173.928 174.600 -0.130 0.000 1.148 220 S CA -1.079 57.069 58.200 -0.087 0.000 0.833 220 S CB 0.432 63.592 63.200 -0.067 0.000 1.130 220 S HN 0.719 9.029 8.310 -0.000 0.000 0.470 221 I N 2.018 122.509 120.570 -0.132 0.000 2.662 221 I HA 0.164 4.331 4.170 -0.004 0.000 0.285 221 I C -2.187 173.856 176.117 -0.123 0.000 1.161 221 I CA -1.174 60.032 61.300 -0.155 0.000 1.415 221 I CB -0.329 37.594 38.000 -0.129 0.000 1.385 221 I HN 0.418 8.628 8.210 -0.000 0.000 0.552 222 P HA 0.072 4.492 4.420 -0.000 0.000 0.271 222 P C -0.607 176.650 177.300 -0.070 0.000 1.218 222 P CA -0.167 62.878 63.100 -0.091 0.000 0.780 222 P CB 0.522 32.169 31.700 -0.089 0.000 0.901 223 S N 1.695 117.364 115.700 -0.052 0.000 2.549 223 S HA 0.321 4.788 4.470 -0.004 0.000 0.286 223 S C 1.505 176.082 174.600 -0.039 0.000 1.314 223 S CA 0.694 58.868 58.200 -0.043 0.000 1.062 223 S CB -0.312 62.868 63.200 -0.034 0.000 0.865 223 S HN 0.931 9.241 8.310 -0.000 0.000 0.498 224 G N 2.192 110.968 108.800 -0.040 0.000 2.166 224 G HA2 -0.328 3.629 3.960 -0.004 0.000 0.260 224 G HA3 -0.328 3.629 3.960 -0.004 0.000 0.260 224 G C 0.518 175.397 174.900 -0.035 0.000 0.986 224 G CA 0.381 45.460 45.100 -0.035 0.000 0.683 224 G HN 1.237 9.527 8.290 -0.000 0.000 0.527 225 S N 0.315 115.987 115.700 -0.046 0.000 2.930 225 S HA 0.440 4.908 4.470 -0.004 0.000 0.257 225 S C 1.088 175.657 174.600 -0.051 0.000 1.208 225 S CA 0.775 58.947 58.200 -0.047 0.000 1.233 225 S CB -0.370 62.783 63.200 -0.077 0.000 0.900 225 S HN 1.307 9.617 8.310 -0.000 0.000 0.472 226 T N -2.094 112.433 114.554 -0.044 0.000 2.833 226 T HA 0.707 5.054 4.350 -0.004 0.000 0.292 226 T C 1.294 175.974 174.700 -0.034 0.000 1.031 226 T CA -0.087 61.985 62.100 -0.046 0.000 0.937 226 T CB 0.009 68.847 68.868 -0.050 0.000 1.256 226 T HN 1.204 9.444 8.240 -0.000 0.000 0.551 227 G N 1.682 110.458 108.800 -0.040 0.000 2.594 227 G HA2 -0.403 3.555 3.960 -0.004 0.000 0.297 227 G HA3 -0.403 3.555 3.960 -0.004 0.000 0.297 227 G C 0.808 175.713 174.900 0.008 0.000 1.273 227 G CA 1.120 46.199 45.100 -0.035 0.000 0.974 227 G HN 1.267 9.557 8.290 -0.000 0.000 0.552 228 R N 0.228 120.748 120.500 0.033 0.000 2.261 228 R HA 0.067 4.404 4.340 -0.004 0.000 0.236 228 R C 2.308 178.663 176.300 0.092 0.000 1.141 228 R CA 2.064 58.214 56.100 0.083 0.000 1.001 228 R CB -0.484 29.872 30.300 0.094 0.000 0.866 228 R HN 0.466 8.736 8.270 -0.000 0.000 0.468 229 L N 0.938 122.205 121.223 0.073 0.000 2.591 229 L HA 0.184 4.521 4.340 -0.004 0.000 0.228 229 L C 0.592 177.514 176.870 0.087 0.000 1.133 229 L CA 0.046 54.958 54.840 0.121 0.000 0.880 229 L CB -0.285 41.825 42.059 0.085 0.000 1.033 229 L HN 0.217 8.447 8.230 -0.000 0.000 0.450 230 L N 0.194 121.435 121.223 0.029 0.000 4.312 230 L HA -0.318 4.019 4.340 -0.004 0.000 0.427 230 L C 1.201 177.981 176.870 -0.151 0.000 1.149 230 L CA 0.462 55.279 54.840 -0.038 0.000 0.978 230 L CB -2.555 39.504 42.059 -0.000 0.000 1.963 230 L HN 0.529 8.759 8.230 -0.000 0.000 0.970 231 G N -1.139 107.565 108.800 -0.159 0.000 2.153 231 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.252 231 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.252 231 G C 0.574 175.235 174.900 -0.398 0.000 0.994 231 G CA 0.553 45.514 45.100 -0.231 0.000 0.698 231 G HN 0.439 8.729 8.290 -0.000 0.000 0.521 232 L N -2.321 118.609 121.223 -0.488 0.000 2.624 232 L HA 0.481 4.818 4.340 -0.004 0.000 0.222 232 L C 0.640 176.970 176.870 -0.899 0.000 1.046 232 L CA -0.008 54.314 54.840 -0.863 0.000 0.872 232 L CB 0.216 41.534 42.059 -1.236 0.000 1.190 232 L HN 0.109 8.339 8.230 -0.000 0.000 0.487 233 F N 0.459 120.330 119.950 -0.133 0.000 2.492 233 F HA 0.399 4.923 4.527 -0.005 0.000 0.327 233 F C -1.536 174.219 175.800 -0.075 0.000 1.079 233 F CA -2.293 55.652 58.000 -0.091 0.000 0.967 233 F CB 0.429 39.389 39.000 -0.066 0.000 1.169 233 F HN -0.282 8.018 8.300 -0.000 0.000 0.472 234 P HA 0.005 4.425 4.420 -0.000 0.000 0.224 234 P C -0.688 176.643 177.300 0.051 0.000 1.157 234 P CA 1.063 64.190 63.100 0.046 0.000 0.799 234 P CB 0.356 32.075 31.700 0.031 0.000 0.809 235 D N -1.749 118.697 120.400 0.076 0.000 2.752 235 D HA 0.431 5.069 4.640 -0.004 0.000 0.313 235 D C -0.517 175.794 176.300 0.019 0.000 1.225 235 D CA -0.991 53.031 54.000 0.037 0.000 0.976 235 D CB -0.066 40.743 40.800 0.015 0.000 1.443 235 D HN -0.143 8.227 8.370 -0.000 0.000 0.515 236 A N -0.217 122.596 122.820 -0.013 0.000 2.640 236 A HA 0.239 4.556 4.320 -0.004 0.000 0.282 236 A C 0.467 178.006 177.584 -0.074 0.000 1.357 236 A CA -0.331 51.677 52.037 -0.048 0.000 0.946 236 A CB -1.640 17.343 19.000 -0.028 0.000 1.065 236 A HN 0.500 8.650 8.150 -0.000 0.000 0.541 237 N N 0.000 118.657 118.700 -0.071 0.000 1.763 237 N HA 0.000 4.737 4.740 -0.004 0.000 0.220 237 N CA 0.000 53.008 53.050 -0.070 0.000 0.885 237 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 237 N HN 0.000 8.380 8.380 -0.000 0.000 0.667