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 2qx7_1_A DATA FIRST_RESID 5 DATA SEQUENCE GMKSKILIFG GTGYIGNHMV KGSLKLGHPT YVFTRPNSSK TTLLDEFQSL DATA SEQUENCE GAIIVKGELD EHEKLVELMK KVDVVISALA FPQILDQFKI LEAIKVAGNI DATA SEQUENCE KRFLPSDFGV EEDRINALPP FEALIERKRM IRRAIEEANI PYTYVSANCF DATA SEQUENCE ASYFINYLLR PYDPKDEITV YGTGEAKFAM NYEQDIGLYT IKVATDPRAL DATA SEQUENCE NRVVIYRPST NIITQLELIS RWEKKIGKKF KKIHVPEEEI VALTKELPEP DATA SEQUENCE ENIPIAILHC LFIDGATMSY DFKENDVEAS TLYPELKFTT IDELLDIFVH DATA SEQUENCE DPPPPASAAF 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 5 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 5 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 5 G C 0.000 174.893 174.900 -0.011 0.000 0.946 5 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 6 M N 1.650 121.239 119.600 -0.019 0.000 2.428 6 M HA 0.353 4.833 4.480 0.001 0.000 0.239 6 M C 0.311 176.614 176.300 0.004 0.000 1.121 6 M CA 0.349 55.646 55.300 -0.005 0.000 1.019 6 M CB -0.201 32.394 32.600 -0.008 0.000 1.485 6 M HN 0.027 8.317 8.290 -0.000 0.000 0.484 7 K N 2.033 122.418 120.400 -0.024 0.000 2.484 7 K HA 0.124 4.445 4.320 0.001 0.000 0.280 7 K C 0.215 176.890 176.600 0.126 0.000 1.013 7 K CA 0.167 56.441 56.287 -0.022 0.000 1.029 7 K CB 0.341 32.727 32.500 -0.189 0.000 0.902 7 K HN 0.070 8.320 8.250 -0.000 0.000 0.481 8 S N 2.674 118.521 115.700 0.246 0.000 2.560 8 S HA 0.040 4.510 4.470 0.001 0.000 0.284 8 S C 0.259 174.989 174.600 0.216 0.000 1.327 8 S CA -0.211 58.101 58.200 0.186 0.000 1.055 8 S CB 0.501 63.775 63.200 0.123 0.000 0.868 8 S HN 0.235 8.545 8.310 -0.000 0.000 0.506 9 K N 2.264 122.748 120.400 0.140 0.000 2.258 9 K HA 0.389 4.709 4.320 0.001 0.000 0.284 9 K C -0.575 176.097 176.600 0.120 0.000 1.051 9 K CA 0.020 56.408 56.287 0.169 0.000 0.923 9 K CB 0.590 33.206 32.500 0.193 0.000 1.046 9 K HN 0.484 8.734 8.250 -0.000 0.000 0.474 10 I N 4.160 124.805 120.570 0.125 0.000 2.404 10 I HA 0.220 4.390 4.170 0.001 0.000 0.293 10 I C -0.815 175.373 176.117 0.118 0.000 0.992 10 I CA -1.190 60.145 61.300 0.059 0.000 1.149 10 I CB 1.375 39.345 38.000 -0.050 0.000 1.315 10 I HN 0.341 8.551 8.210 -0.000 0.000 0.446 11 L N 8.477 129.739 121.223 0.064 0.000 2.305 11 L HA 0.605 4.945 4.340 0.001 0.000 0.284 11 L C -0.910 175.947 176.870 -0.022 0.000 1.013 11 L CA -0.015 54.828 54.840 0.006 0.000 0.819 11 L CB 0.994 42.998 42.059 -0.093 0.000 1.227 11 L HN 0.398 8.628 8.230 -0.000 0.000 0.417 12 I N 5.468 125.993 120.570 -0.076 0.000 2.389 12 I HA 0.342 4.512 4.170 0.001 0.000 0.288 12 I C -0.889 175.179 176.117 -0.082 0.000 0.999 12 I CA -0.386 60.904 61.300 -0.017 0.000 1.129 12 I CB 1.268 39.253 38.000 -0.025 0.000 1.288 12 I HN 0.452 8.662 8.210 -0.000 0.000 0.444 13 F N 3.085 123.121 119.950 0.144 0.000 2.399 13 F HA 0.514 5.041 4.527 0.001 0.000 0.334 13 F C 1.290 177.186 175.800 0.161 0.000 1.097 13 F CA -0.112 57.993 58.000 0.175 0.000 1.076 13 F CB 1.714 40.790 39.000 0.128 0.000 1.162 13 F HN 0.703 9.003 8.300 -0.000 0.000 0.495 14 G N 1.730 110.734 108.800 0.341 0.000 2.160 14 G HA2 -0.261 3.700 3.960 0.001 0.000 0.251 14 G HA3 -0.261 3.700 3.960 0.001 0.000 0.251 14 G C 1.239 176.243 174.900 0.174 0.000 1.008 14 G CA 0.301 45.545 45.100 0.241 0.000 0.724 14 G HN 1.192 9.482 8.290 -0.000 0.000 0.514 15 G N 0.023 108.914 108.800 0.152 0.000 2.462 15 G HA2 0.019 3.979 3.960 0.001 0.000 0.220 15 G HA3 0.019 3.979 3.960 0.001 0.000 0.220 15 G C 1.733 176.765 174.900 0.220 0.000 1.121 15 G CA 2.055 47.210 45.100 0.091 0.000 0.758 15 G HN 1.498 9.788 8.290 -0.000 0.000 0.559 16 T N -1.394 113.320 114.554 0.267 0.000 3.148 16 T HA 0.379 4.730 4.350 0.001 0.000 0.253 16 T C 1.394 176.187 174.700 0.155 0.000 1.134 16 T CA 0.292 62.541 62.100 0.248 0.000 1.051 16 T CB 0.274 69.217 68.868 0.125 0.000 0.959 16 T HN 0.276 8.516 8.240 -0.000 0.000 0.525 17 G N -0.097 108.794 108.800 0.152 0.000 2.684 17 G HA2 0.285 4.246 3.960 0.001 0.000 0.255 17 G HA3 0.285 4.246 3.960 0.001 0.000 0.255 17 G C 0.280 175.274 174.900 0.156 0.000 1.219 17 G CA -0.493 44.700 45.100 0.155 0.000 0.901 17 G HN 0.219 8.509 8.290 -0.000 0.000 0.548 18 Y N 0.467 120.835 120.300 0.112 0.000 2.128 18 Y HA -0.157 4.393 4.550 0.001 0.000 0.284 18 Y C 2.377 178.365 175.900 0.148 0.000 1.154 18 Y CA 2.220 60.407 58.100 0.145 0.000 1.149 18 Y CB 0.009 38.592 38.460 0.204 0.000 0.976 18 Y HN 0.297 8.577 8.280 -0.000 0.000 0.505 19 I N -0.297 120.327 120.570 0.090 0.000 3.265 19 I HA 0.171 4.342 4.170 0.001 0.000 0.282 19 I C 2.380 178.437 176.117 -0.100 0.000 1.207 19 I CA 1.184 62.408 61.300 -0.127 0.000 1.449 19 I CB -0.640 37.254 38.000 -0.176 0.000 1.121 19 I HN 0.211 8.421 8.210 -0.000 0.000 0.442 20 G N 1.102 109.882 108.800 -0.033 0.000 2.442 20 G HA2 -0.381 3.579 3.960 0.001 0.000 0.219 20 G HA3 -0.381 3.579 3.960 0.001 0.000 0.219 20 G C 1.332 176.188 174.900 -0.074 0.000 1.141 20 G CA 1.220 46.294 45.100 -0.042 0.000 0.763 20 G HN 0.640 8.930 8.290 -0.000 0.000 0.554 21 N N -0.425 118.244 118.700 -0.052 0.000 2.289 21 N HA -0.098 4.643 4.740 0.001 0.000 0.184 21 N C 1.770 177.118 175.510 -0.271 0.000 1.016 21 N CA 1.556 54.569 53.050 -0.062 0.000 0.872 21 N CB -0.595 37.900 38.487 0.012 0.000 0.973 21 N HN 0.482 8.862 8.380 -0.000 0.000 0.433 22 H N -0.891 118.076 119.070 -0.171 0.000 2.502 22 H HA 0.213 4.770 4.556 0.001 0.000 0.283 22 H C 1.704 176.919 175.328 -0.189 0.000 1.015 22 H CA 1.268 57.195 56.048 -0.202 0.000 1.298 22 H CB 0.078 29.671 29.762 -0.282 0.000 1.411 22 H HN 0.245 8.525 8.280 -0.000 0.000 0.556 23 M N -0.623 118.914 119.600 -0.105 0.000 2.236 23 M HA -0.104 4.376 4.480 0.001 0.000 0.266 23 M C 2.010 178.211 176.300 -0.165 0.000 1.070 23 M CA 0.776 56.005 55.300 -0.118 0.000 1.137 23 M CB 0.198 32.723 32.600 -0.126 0.000 1.378 23 M HN 0.108 8.398 8.290 -0.000 0.000 0.426 24 V N 0.888 120.642 119.914 -0.267 0.000 2.295 24 V HA -0.269 3.851 4.120 0.001 0.000 0.246 24 V C 2.190 178.083 176.094 -0.335 0.000 1.049 24 V CA 1.828 63.876 62.300 -0.419 0.000 1.024 24 V CB -0.682 30.583 31.823 -0.930 0.000 0.648 24 V HN 0.439 8.629 8.190 -0.000 0.000 0.447 25 K N 0.236 120.472 120.400 -0.274 0.000 2.057 25 K HA -0.104 4.217 4.320 0.001 0.000 0.207 25 K C 2.242 178.776 176.600 -0.111 0.000 1.049 25 K CA 1.451 57.643 56.287 -0.158 0.000 0.931 25 K CB -0.640 31.794 32.500 -0.110 0.000 0.714 25 K HN 0.556 8.806 8.250 -0.000 0.000 0.440 26 G N 0.447 109.187 108.800 -0.101 0.000 2.408 26 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 26 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 26 G C 1.542 176.407 174.900 -0.058 0.000 1.150 26 G CA 0.899 45.952 45.100 -0.078 0.000 0.776 26 G HN 0.273 8.563 8.290 -0.000 0.000 0.542 27 S N 0.024 115.685 115.700 -0.065 0.000 2.348 27 S HA -0.036 4.434 4.470 0.001 0.000 0.221 27 S C 2.452 177.062 174.600 0.018 0.000 1.033 27 S CA 1.179 59.372 58.200 -0.012 0.000 1.010 27 S CB -0.300 62.858 63.200 -0.070 0.000 0.891 27 S HN 0.326 8.636 8.310 -0.000 0.000 0.442 28 L N 1.244 122.433 121.223 -0.056 0.000 2.046 28 L HA -0.073 4.268 4.340 0.001 0.000 0.208 28 L C 2.664 179.501 176.870 -0.054 0.000 1.077 28 L CA 1.621 56.425 54.840 -0.060 0.000 0.747 28 L CB -0.486 41.520 42.059 -0.089 0.000 0.896 28 L HN 0.349 8.579 8.230 -0.000 0.000 0.432 29 K N 0.791 121.157 120.400 -0.057 0.000 2.147 29 K HA -0.148 4.173 4.320 0.001 0.000 0.205 29 K C 1.868 178.426 176.600 -0.070 0.000 1.049 29 K CA 1.172 57.422 56.287 -0.061 0.000 0.936 29 K CB 0.000 32.462 32.500 -0.064 0.000 0.722 29 K HN 0.297 8.547 8.250 -0.000 0.000 0.446 30 L N -0.268 120.923 121.223 -0.054 0.000 2.591 30 L HA 0.137 4.478 4.340 0.001 0.000 0.228 30 L C 1.060 177.825 176.870 -0.176 0.000 1.133 30 L CA 0.496 55.287 54.840 -0.081 0.000 0.880 30 L CB 0.281 42.349 42.059 0.015 0.000 1.033 30 L HN 0.575 8.805 8.230 -0.000 0.000 0.450 31 G N -1.018 107.700 108.800 -0.136 0.000 2.157 31 G HA2 -0.229 3.732 3.960 0.001 0.000 0.248 31 G HA3 -0.229 3.732 3.960 0.001 0.000 0.248 31 G C 0.189 174.969 174.900 -0.201 0.000 0.979 31 G CA -0.427 44.570 45.100 -0.172 0.000 0.650 31 G HN 0.388 8.678 8.290 -0.000 0.000 0.529 32 H N 0.918 119.953 119.070 -0.059 0.000 2.610 32 H HA 0.315 4.872 4.556 0.001 0.000 0.336 32 H C -2.258 173.038 175.328 -0.053 0.000 1.087 32 H CA -1.293 54.730 56.048 -0.043 0.000 1.405 32 H CB 1.174 30.915 29.762 -0.035 0.000 1.460 32 H HN 0.098 8.378 8.280 -0.000 0.000 0.538 33 P HA 0.053 4.473 4.420 -0.000 0.000 0.271 33 P C -0.587 176.711 177.300 -0.004 0.000 1.220 33 P CA 0.205 63.303 63.100 -0.002 0.000 0.768 33 P CB 0.631 32.359 31.700 0.047 0.000 0.848 34 T N 3.502 117.969 114.554 -0.144 0.000 2.840 34 T HA 0.395 4.746 4.350 0.001 0.000 0.287 34 T C -0.854 173.697 174.700 -0.249 0.000 0.991 34 T CA -0.276 61.752 62.100 -0.121 0.000 0.964 34 T CB 0.260 69.052 68.868 -0.127 0.000 0.954 34 T HN 0.118 8.358 8.240 -0.000 0.000 0.438 35 Y N 1.518 121.776 120.300 -0.069 0.000 2.328 35 Y HA 0.556 5.106 4.550 0.001 0.000 0.337 35 Y C 0.065 175.907 175.900 -0.096 0.000 1.008 35 Y CA -0.971 57.090 58.100 -0.066 0.000 1.129 35 Y CB 1.323 39.748 38.460 -0.057 0.000 1.185 35 Y HN 0.312 8.592 8.280 -0.000 0.000 0.476 36 V N 5.212 125.157 119.914 0.050 0.000 2.378 36 V HA 0.233 4.353 4.120 0.001 0.000 0.288 36 V C -0.729 175.402 176.094 0.062 0.000 1.016 36 V CA -1.000 61.311 62.300 0.019 0.000 0.840 36 V CB 1.026 32.865 31.823 0.026 0.000 0.994 36 V HN 0.551 8.741 8.190 -0.000 0.000 0.431 37 F N 4.034 123.885 119.950 -0.166 0.000 2.404 37 F HA 0.677 5.205 4.527 0.001 0.000 0.345 37 F C 0.382 176.187 175.800 0.008 0.000 1.110 37 F CA 0.425 58.343 58.000 -0.138 0.000 1.130 37 F CB 1.540 40.298 39.000 -0.403 0.000 1.129 37 F HN 0.532 8.832 8.300 -0.000 0.000 0.500 38 T N 5.727 120.105 114.554 -0.293 0.000 2.894 38 T HA 0.445 4.796 4.350 0.001 0.000 0.309 38 T C -0.643 173.921 174.700 -0.225 0.000 1.208 38 T CA -0.819 61.213 62.100 -0.113 0.000 1.016 38 T CB 0.961 69.809 68.868 -0.034 0.000 1.192 38 T HN 0.696 8.936 8.240 -0.000 0.000 0.491 39 R N 3.374 123.835 120.500 -0.064 0.000 2.643 39 R HA 0.226 4.567 4.340 0.001 0.000 0.270 39 R C -1.627 174.632 176.300 -0.068 0.000 1.061 39 R CA -1.265 54.804 56.100 -0.050 0.000 1.107 39 R CB 0.396 30.713 30.300 0.029 0.000 0.999 39 R HN 0.461 8.731 8.270 -0.000 0.000 0.460 40 P HA -0.162 4.258 4.420 -0.000 0.000 0.215 40 P C -0.494 176.790 177.300 -0.028 0.000 1.157 40 P CA 1.342 64.413 63.100 -0.049 0.000 0.868 40 P CB 0.140 31.822 31.700 -0.031 0.000 0.788 41 N N 0.282 118.976 118.700 -0.011 0.000 2.971 41 N HA 0.123 4.863 4.740 0.001 0.000 0.294 41 N C -0.210 175.298 175.510 -0.003 0.000 1.210 41 N CA -0.283 52.765 53.050 -0.003 0.000 1.157 41 N CB -0.142 38.349 38.487 0.008 0.000 1.450 41 N HN 0.206 8.586 8.380 -0.000 0.000 0.527 42 S N -0.243 115.448 115.700 -0.014 0.000 2.617 42 S HA 0.309 4.779 4.470 0.001 0.000 0.283 42 S C 0.860 175.449 174.600 -0.018 0.000 1.189 42 S CA -0.779 57.412 58.200 -0.015 0.000 1.036 42 S CB 1.771 64.953 63.200 -0.029 0.000 1.014 42 S HN 0.337 8.647 8.310 -0.000 0.000 0.522 43 S N -0.146 115.544 115.700 -0.016 0.000 2.754 43 S HA 0.388 4.859 4.470 0.001 0.000 0.247 43 S C -0.417 174.162 174.600 -0.036 0.000 1.031 43 S CA -0.748 57.440 58.200 -0.020 0.000 1.014 43 S CB -0.312 62.883 63.200 -0.008 0.000 0.918 43 S HN 0.621 8.931 8.310 -0.000 0.000 0.519 44 K N 0.926 121.295 120.400 -0.051 0.000 3.084 44 K HA 0.389 4.709 4.320 0.001 0.000 0.210 44 K C 0.760 177.290 176.600 -0.117 0.000 1.137 44 K CA -0.130 56.104 56.287 -0.089 0.000 1.010 44 K CB 0.086 32.528 32.500 -0.096 0.000 0.806 44 K HN 0.156 8.406 8.250 -0.000 0.000 0.460 45 T N -0.270 114.231 114.554 -0.089 0.000 2.833 45 T HA -0.185 4.166 4.350 0.001 0.000 0.269 45 T C 1.928 176.559 174.700 -0.114 0.000 1.054 45 T CA 2.195 64.242 62.100 -0.089 0.000 1.135 45 T CB -0.188 68.643 68.868 -0.062 0.000 0.869 45 T HN 0.583 8.823 8.240 -0.000 0.000 0.466 46 T N 0.670 115.153 114.554 -0.119 0.000 2.857 46 T HA 0.051 4.401 4.350 0.001 0.000 0.266 46 T C 1.925 176.501 174.700 -0.206 0.000 1.048 46 T CA 0.539 62.561 62.100 -0.130 0.000 1.139 46 T CB -0.501 68.306 68.868 -0.102 0.000 0.874 46 T HN 0.184 8.424 8.240 -0.000 0.000 0.455 47 L N 0.810 121.868 121.223 -0.276 0.000 2.072 47 L HA 0.312 4.653 4.340 0.001 0.000 0.205 47 L C 2.309 178.720 176.870 -0.766 0.000 1.079 47 L CA 1.351 55.892 54.840 -0.498 0.000 0.752 47 L CB -0.789 40.984 42.059 -0.477 0.000 0.906 47 L HN 0.277 8.507 8.230 -0.000 0.000 0.436 48 L N -0.676 120.253 121.223 -0.490 0.000 2.141 48 L HA -0.189 4.151 4.340 0.001 0.000 0.209 48 L C 2.161 178.920 176.870 -0.185 0.000 1.094 48 L CA 1.473 56.115 54.840 -0.330 0.000 0.763 48 L CB -0.621 41.358 42.059 -0.134 0.000 0.908 48 L HN 0.321 8.551 8.230 -0.000 0.000 0.437 49 D N -0.071 120.227 120.400 -0.170 0.000 2.178 49 D HA -0.234 4.407 4.640 0.001 0.000 0.202 49 D C 2.130 178.379 176.300 -0.084 0.000 0.974 49 D CA 0.950 54.891 54.000 -0.098 0.000 0.841 49 D CB 0.233 40.980 40.800 -0.088 0.000 0.953 49 D HN 0.275 8.645 8.370 -0.000 0.000 0.478 50 E N -0.782 119.328 120.200 -0.150 0.000 2.047 50 E HA -0.166 4.184 4.350 0.001 0.000 0.191 50 E C 1.962 178.598 176.600 0.060 0.000 0.987 50 E CA 0.705 57.054 56.400 -0.084 0.000 0.799 50 E CB -0.253 29.357 29.700 -0.149 0.000 0.752 50 E HN 0.421 8.781 8.360 -0.000 0.000 0.449 51 F N 0.800 120.711 119.950 -0.065 0.000 2.126 51 F HA -0.242 4.285 4.527 0.001 0.000 0.299 51 F C 2.820 178.578 175.800 -0.069 0.000 1.096 51 F CA 0.932 58.890 58.000 -0.070 0.000 1.255 51 F CB -0.165 38.793 39.000 -0.070 0.000 0.997 51 F HN 0.186 8.486 8.300 -0.000 0.000 0.479 52 Q N 0.665 120.546 119.800 0.135 0.000 2.084 52 Q HA -0.202 4.138 4.340 0.001 0.000 0.202 52 Q C 2.240 178.249 176.000 0.016 0.000 0.978 52 Q CA 2.133 57.963 55.803 0.044 0.000 0.844 52 Q CB -0.066 28.679 28.738 0.013 0.000 0.898 52 Q HN 0.382 8.652 8.270 -0.000 0.000 0.426 53 S N -0.563 115.146 115.700 0.015 0.000 2.481 53 S HA -0.052 4.418 4.470 0.001 0.000 0.231 53 S C 1.590 176.191 174.600 0.001 0.000 0.996 53 S CA 0.582 58.782 58.200 -0.000 0.000 0.942 53 S CB -0.127 63.069 63.200 -0.007 0.000 0.768 53 S HN 0.410 8.720 8.310 -0.000 0.000 0.520 54 L N 0.674 121.909 121.223 0.019 0.000 2.592 54 L HA 0.368 4.709 4.340 0.001 0.000 0.227 54 L C 1.840 178.697 176.870 -0.023 0.000 1.127 54 L CA 0.422 55.264 54.840 0.004 0.000 0.884 54 L CB -0.174 41.900 42.059 0.025 0.000 1.065 54 L HN 0.610 8.840 8.230 -0.000 0.000 0.457 55 G N -0.342 108.442 108.800 -0.027 0.000 2.184 55 G HA2 -0.206 3.754 3.960 0.001 0.000 0.206 55 G HA3 -0.206 3.754 3.960 0.001 0.000 0.206 55 G C 0.395 175.242 174.900 -0.089 0.000 0.995 55 G CA -0.164 44.902 45.100 -0.056 0.000 0.651 55 G HN 0.411 8.701 8.290 -0.000 0.000 0.511 56 A N 0.204 122.981 122.820 -0.072 0.000 2.445 56 A HA 0.662 4.982 4.320 0.001 0.000 0.242 56 A C 0.444 177.954 177.584 -0.123 0.000 1.075 56 A CA 0.233 52.201 52.037 -0.114 0.000 0.777 56 A CB 0.238 19.192 19.000 -0.078 0.000 1.013 56 A HN 0.764 8.914 8.150 -0.000 0.000 0.493 57 I N 3.345 123.781 120.570 -0.224 0.000 2.312 57 I HA 0.174 4.344 4.170 0.001 0.000 0.290 57 I C -0.520 175.553 176.117 -0.073 0.000 1.008 57 I CA -0.437 60.737 61.300 -0.211 0.000 1.226 57 I CB 0.906 38.606 38.000 -0.500 0.000 1.371 57 I HN 0.392 8.602 8.210 -0.000 0.000 0.468 58 I N 7.675 128.237 120.570 -0.013 0.000 2.342 58 I HA 0.256 4.426 4.170 0.001 0.000 0.291 58 I C 0.062 176.188 176.117 0.015 0.000 1.010 58 I CA -0.507 60.803 61.300 0.017 0.000 1.308 58 I CB 1.306 39.315 38.000 0.015 0.000 1.400 58 I HN 0.141 8.351 8.210 -0.000 0.000 0.488 59 V N 7.305 127.220 119.914 0.001 0.000 2.376 59 V HA 0.327 4.447 4.120 0.001 0.000 0.287 59 V C 0.253 176.181 176.094 -0.276 0.000 1.015 59 V CA -0.985 61.291 62.300 -0.040 0.000 0.834 59 V CB 1.535 33.422 31.823 0.107 0.000 1.001 59 V HN 0.622 8.812 8.190 -0.000 0.000 0.428 60 K N 2.993 123.249 120.400 -0.241 0.000 2.174 60 K HA 0.807 5.128 4.320 0.001 0.000 0.275 60 K C 0.387 176.736 176.600 -0.419 0.000 1.015 60 K CA -0.119 55.970 56.287 -0.331 0.000 0.933 60 K CB 1.842 34.245 32.500 -0.162 0.000 1.025 60 K HN 0.965 9.215 8.250 -0.000 0.000 0.463 61 G N 1.200 109.679 108.800 -0.536 0.000 2.316 61 G HA2 0.084 4.045 3.960 0.001 0.000 0.296 61 G HA3 0.084 4.045 3.960 0.001 0.000 0.296 61 G C -1.705 173.152 174.900 -0.071 0.000 1.399 61 G CA -0.753 44.183 45.100 -0.273 0.000 0.833 61 G HN 0.368 8.658 8.290 -0.000 0.000 0.565 62 E N -0.140 120.208 120.200 0.246 0.000 2.221 62 E HA 0.441 4.791 4.350 0.001 0.000 0.268 62 E C 1.155 178.020 176.600 0.442 0.000 0.933 62 E CA -0.864 55.724 56.400 0.313 0.000 0.809 62 E CB 2.238 32.044 29.700 0.176 0.000 1.190 62 E HN 0.376 8.736 8.360 -0.000 0.000 0.406 63 L N 0.766 122.196 121.223 0.346 0.000 2.265 63 L HA -0.152 4.189 4.340 0.001 0.000 0.215 63 L C 1.116 178.060 176.870 0.123 0.000 1.117 63 L CA 0.803 55.752 54.840 0.182 0.000 0.782 63 L CB -0.102 42.016 42.059 0.099 0.000 0.914 63 L HN 0.345 8.575 8.230 -0.000 0.000 0.441 64 D N 0.255 120.739 120.400 0.140 0.000 2.363 64 D HA -0.071 4.569 4.640 0.001 0.000 0.220 64 D C 0.593 176.970 176.300 0.128 0.000 0.994 64 D CA 0.634 54.700 54.000 0.110 0.000 0.890 64 D CB 0.060 40.915 40.800 0.093 0.000 0.906 64 D HN 0.388 8.758 8.370 -0.000 0.000 0.530 65 E N 0.313 120.609 120.200 0.159 0.000 1.979 65 E HA -0.011 4.339 4.350 0.001 0.000 0.285 65 E C 0.769 177.451 176.600 0.138 0.000 1.188 65 E CA -0.159 56.333 56.400 0.152 0.000 1.214 65 E CB 0.367 30.175 29.700 0.181 0.000 1.210 65 E HN 0.247 8.607 8.360 -0.000 0.000 0.477 66 H N 2.834 121.927 119.070 0.039 0.000 2.319 66 H HA -0.193 4.364 4.556 0.001 0.000 0.297 66 H C 1.393 176.729 175.328 0.014 0.000 1.097 66 H CA 2.235 58.291 56.048 0.013 0.000 1.285 66 H CB 0.437 30.203 29.762 0.005 0.000 1.368 66 H HN 0.409 8.689 8.280 -0.000 0.000 0.495 67 E N 0.173 120.307 120.200 -0.109 0.000 2.077 67 E HA -0.201 4.150 4.350 0.001 0.000 0.193 67 E C 2.272 178.805 176.600 -0.112 0.000 0.989 67 E CA 1.069 57.372 56.400 -0.163 0.000 0.800 67 E CB -0.083 29.595 29.700 -0.037 0.000 0.746 67 E HN 0.480 8.840 8.360 -0.000 0.000 0.452 68 K N 1.185 121.575 120.400 -0.017 0.000 2.063 68 K HA -0.163 4.157 4.320 0.001 0.000 0.208 68 K C 2.211 178.818 176.600 0.011 0.000 1.048 68 K CA 0.951 57.260 56.287 0.037 0.000 0.928 68 K CB -0.071 32.510 32.500 0.134 0.000 0.713 68 K HN 0.076 8.326 8.250 -0.000 0.000 0.442 69 L N 0.553 121.758 121.223 -0.030 0.000 2.017 69 L HA -0.199 4.141 4.340 0.001 0.000 0.208 69 L C 2.438 179.239 176.870 -0.115 0.000 1.073 69 L CA 1.004 55.798 54.840 -0.077 0.000 0.745 69 L CB -0.479 41.523 42.059 -0.095 0.000 0.894 69 L HN 0.046 8.276 8.230 -0.000 0.000 0.432 70 V N -0.456 119.336 119.914 -0.202 0.000 2.295 70 V HA -0.242 3.878 4.120 0.001 0.000 0.246 70 V C 2.512 178.533 176.094 -0.121 0.000 1.049 70 V CA 1.636 63.821 62.300 -0.190 0.000 1.024 70 V CB -0.491 31.162 31.823 -0.283 0.000 0.648 70 V HN 0.425 8.615 8.190 -0.000 0.000 0.447 71 E N -0.248 119.891 120.200 -0.101 0.000 2.204 71 E HA -0.160 4.190 4.350 0.001 0.000 0.194 71 E C 2.014 178.569 176.600 -0.075 0.000 0.989 71 E CA 0.856 57.214 56.400 -0.070 0.000 0.824 71 E CB -0.297 29.377 29.700 -0.045 0.000 0.756 71 E HN 0.479 8.839 8.360 -0.000 0.000 0.477 72 L N 0.242 121.419 121.223 -0.077 0.000 2.131 72 L HA -0.034 4.306 4.340 0.001 0.000 0.206 72 L C 2.022 178.795 176.870 -0.162 0.000 1.087 72 L CA 1.281 56.052 54.840 -0.115 0.000 0.767 72 L CB -0.379 41.642 42.059 -0.063 0.000 0.917 72 L HN -0.010 8.220 8.230 -0.000 0.000 0.441 73 M N -0.366 119.164 119.600 -0.116 0.000 2.159 73 M HA -0.214 4.266 4.480 0.001 0.000 0.263 73 M C 2.090 178.328 176.300 -0.104 0.000 1.063 73 M CA 1.532 56.770 55.300 -0.104 0.000 1.110 73 M CB -1.022 31.527 32.600 -0.086 0.000 1.374 73 M HN 0.264 8.554 8.290 -0.000 0.000 0.411 74 K N 0.160 120.504 120.400 -0.094 0.000 2.360 74 K HA -0.131 4.189 4.320 0.001 0.000 0.201 74 K C 1.659 178.210 176.600 -0.082 0.000 1.046 74 K CA 0.881 57.123 56.287 -0.075 0.000 0.945 74 K CB -0.019 32.445 32.500 -0.060 0.000 0.750 74 K HN 0.408 8.658 8.250 -0.000 0.000 0.464 75 K N 0.429 120.750 120.400 -0.132 0.000 2.361 75 K HA 0.036 4.357 4.320 0.001 0.000 0.194 75 K C 0.682 177.183 176.600 -0.166 0.000 1.032 75 K CA 0.130 56.328 56.287 -0.150 0.000 1.048 75 K CB 0.655 33.022 32.500 -0.221 0.000 0.842 75 K HN 0.004 8.254 8.250 -0.000 0.000 0.526 76 V N -2.323 117.489 119.914 -0.171 0.000 3.166 76 V HA 0.352 4.473 4.120 0.001 0.000 0.317 76 V C -0.201 175.870 176.094 -0.037 0.000 1.136 76 V CA -0.766 61.469 62.300 -0.108 0.000 1.035 76 V CB 1.932 33.663 31.823 -0.153 0.000 1.110 76 V HN -0.122 8.068 8.190 -0.000 0.000 0.450 77 D N -0.147 120.255 120.400 0.003 0.000 2.597 77 D HA 0.233 4.874 4.640 0.001 0.000 0.261 77 D C 0.185 176.503 176.300 0.029 0.000 1.023 77 D CA 0.822 54.832 54.000 0.017 0.000 0.927 77 D CB 1.358 42.178 40.800 0.033 0.000 1.168 77 D HN 0.396 8.766 8.370 -0.000 0.000 0.491 78 V N 1.954 121.890 119.914 0.037 0.000 2.555 78 V HA 0.396 4.516 4.120 0.001 0.000 0.302 78 V C -0.137 176.017 176.094 0.099 0.000 1.038 78 V CA -0.741 61.596 62.300 0.063 0.000 0.887 78 V CB 2.667 34.505 31.823 0.025 0.000 0.991 78 V HN -0.195 7.995 8.190 -0.000 0.000 0.434 79 V N 6.033 126.059 119.914 0.187 0.000 2.487 79 V HA 0.565 4.685 4.120 0.001 0.000 0.298 79 V C -0.413 175.936 176.094 0.425 0.000 1.028 79 V CA -0.368 62.102 62.300 0.283 0.000 0.860 79 V CB 1.812 33.787 31.823 0.254 0.000 0.991 79 V HN 0.688 8.878 8.190 -0.000 0.000 0.427 80 I N 3.340 124.131 120.570 0.368 0.000 2.498 80 I HA 0.481 4.651 4.170 0.001 0.000 0.290 80 I C -0.185 176.185 176.117 0.422 0.000 1.032 80 I CA -0.313 61.193 61.300 0.343 0.000 1.073 80 I CB 2.216 40.355 38.000 0.232 0.000 1.251 80 I HN 0.589 8.799 8.210 -0.000 0.000 0.426 81 S N 4.384 120.324 115.700 0.399 0.000 2.449 81 S HA 0.721 5.191 4.470 0.001 0.000 0.310 81 S C 0.074 174.888 174.600 0.356 0.000 1.096 81 S CA -0.323 58.106 58.200 0.382 0.000 1.095 81 S CB 1.416 64.798 63.200 0.303 0.000 1.007 81 S HN 0.722 9.032 8.310 -0.000 0.000 0.474 82 A N 5.736 128.731 122.820 0.292 0.000 2.676 82 A HA 0.443 4.764 4.320 0.001 0.000 0.297 82 A C 0.150 177.848 177.584 0.190 0.000 1.132 82 A CA -0.427 51.746 52.037 0.227 0.000 0.972 82 A CB -0.188 18.860 19.000 0.080 0.000 1.197 82 A HN 0.752 8.902 8.150 -0.000 0.000 0.524 83 L N 0.260 121.591 121.223 0.180 0.000 2.473 83 L HA 0.405 4.746 4.340 0.001 0.000 0.268 83 L C 1.118 178.034 176.870 0.076 0.000 1.215 83 L CA -0.345 54.576 54.840 0.136 0.000 0.823 83 L CB 0.710 42.840 42.059 0.117 0.000 1.099 83 L HN 0.407 8.637 8.230 -0.000 0.000 0.483 84 A N 1.263 124.128 122.820 0.074 0.000 2.313 84 A HA 0.256 4.576 4.320 0.001 0.000 0.261 84 A C 0.818 178.435 177.584 0.054 0.000 1.090 84 A CA -0.204 51.859 52.037 0.044 0.000 0.807 84 A CB 0.048 19.087 19.000 0.065 0.000 1.055 84 A HN 0.708 8.858 8.150 -0.000 0.000 0.492 85 F N 0.445 120.431 119.950 0.060 0.000 2.115 85 F HA -0.138 4.390 4.527 0.001 0.000 0.300 85 F C -0.449 175.411 175.800 0.099 0.000 1.092 85 F CA 2.649 60.711 58.000 0.104 0.000 1.245 85 F CB -0.844 38.270 39.000 0.190 0.000 0.995 85 F HN 0.421 8.721 8.300 -0.000 0.000 0.481 86 P HA -0.159 4.261 4.420 -0.000 0.000 0.222 86 P C 0.693 178.085 177.300 0.153 0.000 1.147 86 P CA 1.268 64.485 63.100 0.196 0.000 0.790 86 P CB 0.035 31.822 31.700 0.146 0.000 0.780 87 Q N -1.805 118.077 119.800 0.137 0.000 2.220 87 Q HA 0.144 4.485 4.340 0.001 0.000 0.205 87 Q C 1.565 177.621 176.000 0.093 0.000 0.865 87 Q CA -0.062 55.806 55.803 0.108 0.000 0.960 87 Q CB -0.434 28.363 28.738 0.099 0.000 1.097 87 Q HN 0.142 8.412 8.270 -0.000 0.000 0.493 88 I N 0.067 120.701 120.570 0.107 0.000 2.151 88 I HA -0.282 3.888 4.170 0.001 0.000 0.243 88 I C 1.663 177.835 176.117 0.091 0.000 1.080 88 I CA 1.658 62.999 61.300 0.069 0.000 1.339 88 I CB -0.761 37.296 38.000 0.096 0.000 1.039 88 I HN 0.331 8.541 8.210 -0.000 0.000 0.409 89 L N -0.011 121.303 121.223 0.151 0.000 2.395 89 L HA -0.113 4.227 4.340 0.001 0.000 0.218 89 L C 1.716 178.740 176.870 0.256 0.000 1.130 89 L CA 0.595 55.591 54.840 0.259 0.000 0.826 89 L CB -0.561 41.624 42.059 0.211 0.000 0.941 89 L HN 0.228 8.458 8.230 -0.000 0.000 0.451 90 D N 0.208 120.692 120.400 0.139 0.000 2.350 90 D HA -0.148 4.493 4.640 0.001 0.000 0.216 90 D C 1.925 178.252 176.300 0.045 0.000 0.968 90 D CA 0.749 54.807 54.000 0.097 0.000 0.894 90 D CB 0.113 40.956 40.800 0.072 0.000 0.909 90 D HN 0.469 8.839 8.370 -0.000 0.000 0.520 91 Q N -0.726 119.086 119.800 0.019 0.000 2.437 91 Q HA -0.063 4.278 4.340 0.001 0.000 0.210 91 Q C 1.469 177.384 176.000 -0.143 0.000 0.972 91 Q CA 0.336 56.086 55.803 -0.087 0.000 0.903 91 Q CB -0.032 28.662 28.738 -0.074 0.000 0.967 91 Q HN 0.319 8.589 8.270 -0.000 0.000 0.486 92 F N 0.956 120.877 119.950 -0.048 0.000 2.365 92 F HA -0.134 4.394 4.527 0.001 0.000 0.300 92 F C 1.920 177.666 175.800 -0.090 0.000 1.090 92 F CA 1.059 59.026 58.000 -0.055 0.000 1.408 92 F CB 0.189 39.164 39.000 -0.041 0.000 1.060 92 F HN -0.034 8.266 8.300 -0.000 0.000 0.534 93 K N 0.071 120.500 120.400 0.047 0.000 2.103 93 K HA -0.087 4.234 4.320 0.001 0.000 0.204 93 K C 1.959 178.487 176.600 -0.119 0.000 1.052 93 K CA 1.254 57.530 56.287 -0.017 0.000 0.945 93 K CB -0.171 32.317 32.500 -0.020 0.000 0.722 93 K HN 0.272 8.522 8.250 -0.000 0.000 0.443 94 I N 0.800 121.208 120.570 -0.270 0.000 2.202 94 I HA -0.248 3.922 4.170 0.001 0.000 0.242 94 I C 2.269 178.150 176.117 -0.393 0.000 1.091 94 I CA 0.660 61.684 61.300 -0.460 0.000 1.368 94 I CB -0.142 37.444 38.000 -0.689 0.000 1.058 94 I HN 0.082 8.292 8.210 -0.000 0.000 0.410 95 L N 1.120 122.129 121.223 -0.357 0.000 2.079 95 L HA -0.234 4.107 4.340 0.001 0.000 0.210 95 L C 2.376 179.154 176.870 -0.153 0.000 1.081 95 L CA 1.921 56.566 54.840 -0.324 0.000 0.752 95 L CB -0.590 41.317 42.059 -0.253 0.000 0.896 95 L HN 0.165 8.395 8.230 -0.000 0.000 0.433 96 E N -0.396 119.769 120.200 -0.059 0.000 2.077 96 E HA -0.175 4.175 4.350 0.001 0.000 0.193 96 E C 2.131 178.769 176.600 0.064 0.000 0.989 96 E CA 1.492 57.899 56.400 0.013 0.000 0.800 96 E CB -0.326 29.374 29.700 0.000 0.000 0.746 96 E HN 0.532 8.892 8.360 -0.000 0.000 0.452 97 A N 0.410 123.257 122.820 0.046 0.000 1.902 97 A HA -0.128 4.193 4.320 0.001 0.000 0.217 97 A C 2.333 179.877 177.584 -0.066 0.000 1.181 97 A CA 1.413 53.458 52.037 0.012 0.000 0.623 97 A CB -0.677 18.283 19.000 -0.066 0.000 0.818 97 A HN 0.353 8.503 8.150 -0.000 0.000 0.443 98 I N -0.526 119.960 120.570 -0.139 0.000 2.226 98 I HA -0.293 3.877 4.170 0.001 0.000 0.245 98 I C 2.472 178.539 176.117 -0.084 0.000 1.100 98 I CA 1.683 62.889 61.300 -0.156 0.000 1.374 98 I CB -0.265 37.558 38.000 -0.295 0.000 1.057 98 I HN 0.311 8.521 8.210 -0.000 0.000 0.413 99 K N 0.200 120.564 120.400 -0.059 0.000 2.057 99 K HA -0.122 4.199 4.320 0.001 0.000 0.207 99 K C 2.035 178.634 176.600 -0.001 0.000 1.049 99 K CA 1.229 57.504 56.287 -0.019 0.000 0.931 99 K CB -0.177 32.322 32.500 -0.001 0.000 0.714 99 K HN 0.147 8.397 8.250 -0.000 0.000 0.440 100 V N 1.306 121.230 119.914 0.016 0.000 2.307 100 V HA -0.233 3.888 4.120 0.001 0.000 0.245 100 V C 2.345 178.434 176.094 -0.008 0.000 1.045 100 V CA 2.028 64.342 62.300 0.024 0.000 1.024 100 V CB -0.680 31.185 31.823 0.070 0.000 0.651 100 V HN 0.352 8.541 8.190 -0.000 0.000 0.449 101 A N -0.362 122.440 122.820 -0.031 0.000 1.902 101 A HA 0.076 4.397 4.320 0.001 0.000 0.217 101 A C 2.330 179.897 177.584 -0.028 0.000 1.181 101 A CA 2.033 54.045 52.037 -0.041 0.000 0.623 101 A CB -1.069 17.895 19.000 -0.060 0.000 0.818 101 A HN 1.316 9.466 8.150 -0.000 0.000 0.443 102 G N -0.321 108.464 108.800 -0.025 0.000 2.189 102 G HA2 -0.378 3.582 3.960 0.001 0.000 0.267 102 G HA3 -0.378 3.582 3.960 0.001 0.000 0.267 102 G C 0.579 175.471 174.900 -0.013 0.000 0.975 102 G CA 0.993 46.084 45.100 -0.015 0.000 0.644 102 G HN 0.978 9.268 8.290 -0.000 0.000 0.537 103 N N -0.101 118.587 118.700 -0.019 0.000 2.236 103 N HA 0.135 4.875 4.740 0.001 0.000 0.196 103 N C 0.678 176.182 175.510 -0.009 0.000 1.114 103 N CA -0.213 52.828 53.050 -0.014 0.000 0.859 103 N CB 0.508 38.984 38.487 -0.019 0.000 0.982 103 N HN 0.278 8.658 8.380 -0.000 0.000 0.493 104 I N 2.267 122.829 120.570 -0.013 0.000 2.618 104 I HA 0.002 4.172 4.170 0.001 0.000 0.284 104 I C 1.320 177.450 176.117 0.021 0.000 1.146 104 I CA 0.155 61.456 61.300 0.002 0.000 1.425 104 I CB 0.843 38.838 38.000 -0.010 0.000 1.383 104 I HN -0.009 8.201 8.210 -0.000 0.000 0.562 105 K N 5.126 125.543 120.400 0.029 0.000 2.356 105 K HA 0.113 4.433 4.320 0.001 0.000 0.195 105 K C 0.592 177.216 176.600 0.040 0.000 1.037 105 K CA 0.290 56.594 56.287 0.028 0.000 1.014 105 K CB 0.153 32.667 32.500 0.022 0.000 0.815 105 K HN 0.436 8.686 8.250 -0.000 0.000 0.507 106 R N -0.505 120.041 120.500 0.076 0.000 2.579 106 R HA 0.290 4.630 4.340 0.001 0.000 0.260 106 R C -2.180 174.254 176.300 0.223 0.000 1.103 106 R CA -0.412 55.752 56.100 0.106 0.000 0.942 106 R CB 0.755 31.091 30.300 0.061 0.000 1.251 106 R HN 0.004 8.274 8.270 -0.000 0.000 0.450 107 F N 5.331 125.319 119.950 0.063 0.000 2.518 107 F HA 0.591 5.118 4.527 0.001 0.000 0.323 107 F C -1.488 174.383 175.800 0.119 0.000 1.129 107 F CA -1.225 56.826 58.000 0.085 0.000 0.920 107 F CB 1.137 40.180 39.000 0.072 0.000 1.160 107 F HN 0.372 8.672 8.300 -0.000 0.000 0.440 108 L N 8.835 129.954 121.223 -0.172 0.000 2.295 108 L HA 0.471 4.812 4.340 0.001 0.000 0.281 108 L C -2.127 174.367 176.870 -0.627 0.000 1.018 108 L CA -1.932 52.736 54.840 -0.287 0.000 0.841 108 L CB 1.060 43.134 42.059 0.024 0.000 1.218 108 L HN 0.406 8.636 8.230 -0.000 0.000 0.424 109 P HA 0.048 4.468 4.420 -0.000 0.000 0.275 109 P C -0.269 176.812 177.300 -0.365 0.000 1.266 109 P CA -0.539 62.131 63.100 -0.718 0.000 0.793 109 P CB 0.826 32.149 31.700 -0.628 0.000 1.074 110 S N 0.564 116.155 115.700 -0.182 0.000 3.072 110 S HA 0.100 4.570 4.470 0.001 0.000 0.306 110 S C 0.296 174.748 174.600 -0.247 0.000 1.207 110 S CA -0.304 57.871 58.200 -0.042 0.000 1.008 110 S CB -1.281 61.955 63.200 0.061 0.000 1.390 110 S HN 0.221 8.531 8.310 -0.000 0.000 0.523 111 D N 2.984 123.060 120.400 -0.540 0.000 2.855 111 D HA 0.221 4.862 4.640 0.001 0.000 0.257 111 D C 0.291 176.433 176.300 -0.263 0.000 1.542 111 D CA 0.048 53.774 54.000 -0.455 0.000 1.164 111 D CB -0.429 40.055 40.800 -0.525 0.000 1.004 111 D HN 0.635 9.005 8.370 -0.000 0.000 0.293 112 F N 0.316 120.250 119.950 -0.027 0.000 3.067 112 F HA -0.156 4.371 4.527 0.001 0.000 0.279 112 F C 0.965 176.790 175.800 0.040 0.000 0.945 112 F CA 0.233 58.280 58.000 0.079 0.000 0.948 112 F CB -1.398 37.745 39.000 0.239 0.000 0.898 112 F HN 0.238 8.538 8.300 -0.000 0.000 0.746 113 G N -0.865 107.973 108.800 0.062 0.000 3.159 113 G HA2 0.551 4.512 3.960 0.001 0.000 0.150 113 G HA3 0.551 4.512 3.960 0.001 0.000 0.150 113 G C -0.221 174.701 174.900 0.036 0.000 1.193 113 G CA -0.032 45.089 45.100 0.034 0.000 1.177 113 G HN 0.618 8.908 8.290 -0.000 0.000 0.635 114 V N -1.086 118.859 119.914 0.051 0.000 3.185 114 V HA 0.573 4.693 4.120 0.001 0.000 0.305 114 V C 0.173 176.255 176.094 -0.019 0.000 1.090 114 V CA -0.451 61.876 62.300 0.046 0.000 1.107 114 V CB 1.523 33.389 31.823 0.073 0.000 1.061 114 V HN 0.493 8.683 8.190 -0.000 0.000 0.480 115 E N 2.520 122.700 120.200 -0.033 0.000 1.924 115 E HA 0.087 4.437 4.350 0.001 0.000 0.261 115 E C 1.273 177.776 176.600 -0.163 0.000 1.088 115 E CA -0.082 56.242 56.400 -0.127 0.000 0.909 115 E CB 0.616 30.183 29.700 -0.221 0.000 1.112 115 E HN 0.939 9.299 8.360 -0.000 0.000 0.425 116 E N 2.697 122.794 120.200 -0.171 0.000 2.331 116 E HA -0.207 4.143 4.350 0.001 0.000 0.199 116 E C -0.015 176.475 176.600 -0.183 0.000 1.008 116 E CA 0.795 57.082 56.400 -0.188 0.000 0.843 116 E CB 0.239 29.811 29.700 -0.213 0.000 0.761 116 E HN 0.265 8.625 8.360 -0.000 0.000 0.507 117 D N 1.261 121.549 120.400 -0.186 0.000 2.349 117 D HA -0.020 4.621 4.640 0.001 0.000 0.224 117 D C 1.550 177.762 176.300 -0.147 0.000 1.029 117 D CA 0.486 54.391 54.000 -0.158 0.000 0.879 117 D CB 0.115 40.831 40.800 -0.141 0.000 0.906 117 D HN 0.498 8.868 8.370 -0.000 0.000 0.528 118 R N 0.076 120.468 120.500 -0.180 0.000 2.541 118 R HA 0.215 4.555 4.340 0.001 0.000 0.332 118 R C 0.217 176.436 176.300 -0.136 0.000 0.951 118 R CA -0.218 55.773 56.100 -0.182 0.000 1.136 118 R CB -0.101 30.019 30.300 -0.299 0.000 1.449 118 R HN 0.048 8.318 8.270 -0.000 0.000 0.531 119 I N -2.292 118.208 120.570 -0.117 0.000 2.969 119 I HA 0.588 4.758 4.170 0.001 0.000 0.307 119 I C -1.501 174.569 176.117 -0.078 0.000 1.149 119 I CA -1.085 60.176 61.300 -0.064 0.000 1.008 119 I CB 2.243 40.228 38.000 -0.024 0.000 1.232 119 I HN -0.155 8.055 8.210 -0.000 0.000 0.435 120 N N 2.318 120.988 118.700 -0.050 0.000 2.312 120 N HA 0.891 5.631 4.740 0.001 0.000 0.296 120 N C -1.096 174.396 175.510 -0.029 0.000 1.193 120 N CA -0.551 52.462 53.050 -0.063 0.000 0.773 120 N CB 2.294 40.752 38.487 -0.048 0.000 1.435 120 N HN 1.017 9.397 8.380 -0.000 0.000 0.484 121 A N 0.405 123.197 122.820 -0.046 0.000 2.504 121 A HA 0.658 4.979 4.320 0.001 0.000 0.285 121 A C -0.752 176.825 177.584 -0.011 0.000 1.261 121 A CA -0.611 51.442 52.037 0.027 0.000 0.741 121 A CB 0.652 19.727 19.000 0.125 0.000 1.327 121 A HN 0.510 8.660 8.150 -0.000 0.000 0.441 122 L N 0.649 121.868 121.223 -0.007 0.000 2.461 122 L HA 0.161 4.502 4.340 0.001 0.000 0.272 122 L C -1.468 175.372 176.870 -0.049 0.000 1.197 122 L CA -1.302 53.493 54.840 -0.075 0.000 0.836 122 L CB 0.448 42.415 42.059 -0.152 0.000 1.105 122 L HN 0.533 8.763 8.230 -0.000 0.000 0.477 123 P HA -0.226 4.194 4.420 -0.000 0.000 0.222 123 P C -1.413 175.849 177.300 -0.064 0.000 1.159 123 P CA 1.889 64.950 63.100 -0.065 0.000 0.920 123 P CB -0.685 30.977 31.700 -0.063 0.000 0.793 124 P HA -0.185 4.235 4.420 -0.000 0.000 0.215 124 P C 1.499 178.766 177.300 -0.056 0.000 1.157 124 P CA 1.230 64.280 63.100 -0.083 0.000 0.874 124 P CB -0.424 31.207 31.700 -0.114 0.000 0.790 125 F N 0.444 120.256 119.950 -0.230 0.000 2.317 125 F HA 0.019 4.546 4.527 0.001 0.000 0.293 125 F C 2.170 177.858 175.800 -0.186 0.000 1.085 125 F CA 0.763 58.607 58.000 -0.259 0.000 1.390 125 F CB -0.780 38.086 39.000 -0.224 0.000 1.077 125 F HN -0.190 8.110 8.300 -0.000 0.000 0.517 126 E N 0.858 120.955 120.200 -0.171 0.000 2.097 126 E HA -0.196 4.154 4.350 0.001 0.000 0.196 126 E C 2.182 178.659 176.600 -0.204 0.000 1.000 126 E CA 1.701 57.957 56.400 -0.240 0.000 0.804 126 E CB -0.591 29.027 29.700 -0.136 0.000 0.740 126 E HN 0.331 8.691 8.360 -0.000 0.000 0.454 127 A N 0.284 123.020 122.820 -0.140 0.000 1.940 127 A HA -0.139 4.181 4.320 0.001 0.000 0.219 127 A C 2.318 179.844 177.584 -0.096 0.000 1.176 127 A CA 1.525 53.502 52.037 -0.100 0.000 0.631 127 A CB -0.641 18.314 19.000 -0.075 0.000 0.814 127 A HN 0.358 8.508 8.150 -0.000 0.000 0.446 128 L N -0.268 120.864 121.223 -0.152 0.000 2.095 128 L HA -0.083 4.257 4.340 0.001 0.000 0.204 128 L C 2.510 179.407 176.870 0.046 0.000 1.080 128 L CA 1.391 56.165 54.840 -0.110 0.000 0.759 128 L CB -0.543 41.208 42.059 -0.513 0.000 0.914 128 L HN 0.637 8.867 8.230 -0.000 0.000 0.439 129 I N -2.670 117.786 120.570 -0.190 0.000 2.830 129 I HA -0.131 4.040 4.170 0.001 0.000 0.263 129 I C 2.263 178.303 176.117 -0.128 0.000 1.230 129 I CA 0.953 62.156 61.300 -0.162 0.000 1.480 129 I CB -0.354 37.378 38.000 -0.446 0.000 1.095 129 I HN 0.153 8.363 8.210 -0.000 0.000 0.455 130 E N 2.240 122.370 120.200 -0.117 0.000 2.204 130 E HA -0.162 4.189 4.350 0.001 0.000 0.194 130 E C 2.221 178.796 176.600 -0.041 0.000 0.989 130 E CA 1.275 57.622 56.400 -0.088 0.000 0.824 130 E CB -0.137 29.517 29.700 -0.077 0.000 0.756 130 E HN 0.476 8.836 8.360 -0.000 0.000 0.477 131 R N 0.179 120.683 120.500 0.006 0.000 2.092 131 R HA -0.015 4.325 4.340 0.001 0.000 0.231 131 R C 2.325 178.632 176.300 0.012 0.000 1.119 131 R CA 1.536 57.667 56.100 0.053 0.000 0.970 131 R CB -0.147 30.224 30.300 0.118 0.000 0.864 131 R HN 0.112 8.382 8.270 -0.000 0.000 0.440 132 K N 0.310 120.692 120.400 -0.029 0.000 2.097 132 K HA -0.074 4.246 4.320 0.001 0.000 0.205 132 K C 2.136 178.612 176.600 -0.206 0.000 1.050 132 K CA 0.972 57.176 56.287 -0.137 0.000 0.938 132 K CB -0.031 32.368 32.500 -0.169 0.000 0.718 132 K HN 0.150 8.400 8.250 -0.000 0.000 0.442 133 R N 0.516 120.913 120.500 -0.172 0.000 2.096 133 R HA -0.037 4.303 4.340 0.001 0.000 0.235 133 R C 2.311 178.526 176.300 -0.141 0.000 1.127 133 R CA 1.387 57.372 56.100 -0.192 0.000 0.968 133 R CB -0.258 29.954 30.300 -0.147 0.000 0.861 133 R HN 0.200 8.470 8.270 -0.000 0.000 0.440 134 M N 0.133 119.697 119.600 -0.059 0.000 2.159 134 M HA -0.164 4.317 4.480 0.001 0.000 0.263 134 M C 2.053 178.364 176.300 0.017 0.000 1.063 134 M CA 1.327 56.649 55.300 0.036 0.000 1.110 134 M CB -0.140 32.542 32.600 0.137 0.000 1.374 134 M HN 0.083 8.373 8.290 -0.000 0.000 0.411 135 I N 0.135 120.634 120.570 -0.118 0.000 2.202 135 I HA -0.231 3.939 4.170 0.001 0.000 0.242 135 I C 2.392 178.358 176.117 -0.252 0.000 1.091 135 I CA 1.614 62.739 61.300 -0.293 0.000 1.368 135 I CB -1.092 36.727 38.000 -0.301 0.000 1.058 135 I HN 0.334 8.544 8.210 -0.000 0.000 0.410 136 R N 0.183 120.492 120.500 -0.317 0.000 2.081 136 R HA -0.127 4.214 4.340 0.001 0.000 0.235 136 R C 2.343 178.537 176.300 -0.177 0.000 1.131 136 R CA 0.946 56.816 56.100 -0.383 0.000 0.960 136 R CB -0.253 29.619 30.300 -0.712 0.000 0.856 136 R HN 0.289 8.559 8.270 -0.000 0.000 0.436 137 R N 0.480 120.904 120.500 -0.127 0.000 2.096 137 R HA -0.057 4.284 4.340 0.001 0.000 0.235 137 R C 2.134 178.433 176.300 -0.003 0.000 1.127 137 R CA 1.504 57.575 56.100 -0.048 0.000 0.968 137 R CB -0.745 29.542 30.300 -0.022 0.000 0.861 137 R HN 0.261 8.531 8.270 -0.000 0.000 0.440 138 A N 0.894 123.722 122.820 0.013 0.000 1.930 138 A HA -0.048 4.272 4.320 0.001 0.000 0.217 138 A C 2.308 179.910 177.584 0.030 0.000 1.175 138 A CA 0.873 52.947 52.037 0.062 0.000 0.627 138 A CB -0.376 18.691 19.000 0.111 0.000 0.815 138 A HN 0.175 8.325 8.150 -0.000 0.000 0.443 139 I N -0.382 120.188 120.570 0.001 0.000 2.252 139 I HA -0.255 3.915 4.170 0.001 0.000 0.245 139 I C 2.447 178.601 176.117 0.061 0.000 1.102 139 I CA 1.615 62.950 61.300 0.059 0.000 1.385 139 I CB -0.386 37.659 38.000 0.075 0.000 1.064 139 I HN 0.419 8.629 8.210 -0.000 0.000 0.414 140 E N 0.444 120.649 120.200 0.008 0.000 2.106 140 E HA -0.260 4.090 4.350 0.001 0.000 0.192 140 E C 2.051 178.687 176.600 0.059 0.000 0.984 140 E CA 1.042 57.467 56.400 0.042 0.000 0.806 140 E CB -0.107 29.597 29.700 0.006 0.000 0.750 140 E HN 0.449 8.809 8.360 -0.000 0.000 0.458 141 E N 0.662 120.888 120.200 0.044 0.000 2.110 141 E HA -0.157 4.194 4.350 0.001 0.000 0.193 141 E C 1.607 178.236 176.600 0.049 0.000 0.988 141 E CA 1.016 57.443 56.400 0.044 0.000 0.804 141 E CB -0.004 29.722 29.700 0.044 0.000 0.745 141 E HN 0.211 8.571 8.360 -0.000 0.000 0.458 142 A N 0.382 123.236 122.820 0.057 0.000 2.251 142 A HA 0.068 4.388 4.320 0.001 0.000 0.209 142 A C 0.338 177.959 177.584 0.061 0.000 1.187 142 A CA 0.484 52.553 52.037 0.054 0.000 0.823 142 A CB -0.458 18.573 19.000 0.051 0.000 0.846 142 A HN 0.521 8.671 8.150 -0.000 0.000 0.486 143 N N -0.574 118.173 118.700 0.078 0.000 2.735 143 N HA -0.130 4.611 4.740 0.001 0.000 0.248 143 N C -0.580 174.991 175.510 0.101 0.000 1.083 143 N CA 0.443 53.546 53.050 0.089 0.000 0.703 143 N CB -1.005 37.517 38.487 0.057 0.000 1.005 143 N HN 0.376 8.756 8.380 -0.000 0.000 0.550 144 I N 1.308 121.961 120.570 0.139 0.000 2.441 144 I HA 0.180 4.350 4.170 0.001 0.000 0.287 144 I C -1.477 174.767 176.117 0.211 0.000 1.049 144 I CA -2.153 59.238 61.300 0.152 0.000 1.381 144 I CB -0.035 38.069 38.000 0.174 0.000 1.409 144 I HN -0.039 8.171 8.210 -0.000 0.000 0.523 145 P HA 0.128 4.548 4.420 -0.000 0.000 0.268 145 P C -1.308 176.050 177.300 0.095 0.000 1.204 145 P CA 0.429 63.544 63.100 0.025 0.000 0.768 145 P CB 0.411 32.108 31.700 -0.005 0.000 0.842 146 Y N -0.866 119.388 120.300 -0.078 0.000 2.689 146 Y HA 0.796 5.347 4.550 0.001 0.000 0.333 146 Y C -1.265 174.481 175.900 -0.257 0.000 1.190 146 Y CA -1.140 56.870 58.100 -0.151 0.000 1.063 146 Y CB 0.728 39.041 38.460 -0.246 0.000 1.294 146 Y HN 0.250 8.530 8.280 -0.000 0.000 0.466 147 T N 1.495 116.036 114.554 -0.022 0.000 3.071 147 T HA 0.373 4.723 4.350 0.001 0.000 0.311 147 T C -1.805 172.926 174.700 0.052 0.000 1.042 147 T CA -0.668 61.394 62.100 -0.064 0.000 1.028 147 T CB 0.492 69.350 68.868 -0.018 0.000 1.068 147 T HN 0.625 8.865 8.240 -0.000 0.000 0.451 148 Y N 1.685 122.016 120.300 0.051 0.000 2.342 148 Y HA 0.521 5.072 4.550 0.001 0.000 0.338 148 Y C 0.163 175.955 175.900 -0.180 0.000 0.965 148 Y CA -1.188 56.834 58.100 -0.130 0.000 1.159 148 Y CB 1.204 39.596 38.460 -0.113 0.000 1.157 148 Y HN 0.271 8.551 8.280 -0.000 0.000 0.486 149 V N 3.389 123.194 119.914 -0.182 0.000 2.350 149 V HA 0.120 4.241 4.120 0.001 0.000 0.276 149 V C 0.070 175.978 176.094 -0.311 0.000 1.028 149 V CA -0.424 61.714 62.300 -0.270 0.000 0.860 149 V CB 1.432 33.107 31.823 -0.247 0.000 0.990 149 V HN 0.762 8.952 8.190 -0.000 0.000 0.453 150 S N 4.280 119.842 115.700 -0.230 0.000 2.415 150 S HA 0.503 4.974 4.470 0.001 0.000 0.313 150 S C 1.043 175.540 174.600 -0.171 0.000 1.067 150 S CA 0.018 58.141 58.200 -0.128 0.000 1.099 150 S CB 0.958 64.146 63.200 -0.021 0.000 0.991 150 S HN 0.915 9.225 8.310 -0.000 0.000 0.491 151 A N 5.014 127.803 122.820 -0.052 0.000 2.169 151 A HA 0.210 4.530 4.320 0.001 0.000 0.212 151 A C 1.099 178.847 177.584 0.274 0.000 1.153 151 A CA 0.169 52.276 52.037 0.117 0.000 0.756 151 A CB -0.504 18.793 19.000 0.495 0.000 0.813 151 A HN 0.877 9.027 8.150 -0.000 0.000 0.471 152 N N -1.774 117.036 118.700 0.182 0.000 2.126 152 N HA -0.165 4.575 4.740 0.001 0.000 0.153 152 N C -0.155 175.477 175.510 0.203 0.000 0.867 152 N CA 1.296 54.445 53.050 0.164 0.000 0.900 152 N CB -1.446 37.140 38.487 0.165 0.000 0.957 152 N HN 0.415 8.795 8.380 -0.000 0.000 0.636 153 C N 1.692 121.115 119.300 0.206 0.000 2.585 153 C HA 0.342 4.803 4.460 0.001 0.000 0.406 153 C C 0.636 175.982 174.990 0.593 0.000 1.312 153 C CA -0.483 58.699 59.018 0.272 0.000 1.924 153 C CB -1.391 26.435 27.740 0.143 0.000 2.578 153 C HN 0.295 8.525 8.230 -0.000 0.000 0.580 154 F N 2.579 122.803 119.950 0.457 0.000 2.502 154 F HA 0.250 4.778 4.527 0.001 0.000 0.371 154 F C 1.311 177.432 175.800 0.536 0.000 1.083 154 F CA -0.567 57.688 58.000 0.424 0.000 1.174 154 F CB -0.469 38.747 39.000 0.360 0.000 1.096 154 F HN 0.834 9.134 8.300 -0.000 0.000 0.545 155 A N 2.965 126.164 122.820 0.633 0.000 1.865 155 A HA -0.172 4.149 4.320 0.001 0.000 0.217 155 A C 2.356 180.267 177.584 0.544 0.000 1.191 155 A CA 2.126 54.491 52.037 0.548 0.000 0.623 155 A CB -0.711 18.568 19.000 0.465 0.000 0.826 155 A HN 0.648 8.798 8.150 -0.000 0.000 0.444 156 S N -1.943 114.128 115.700 0.618 0.000 2.368 156 S HA -0.155 4.316 4.470 0.001 0.000 0.225 156 S C 1.788 176.735 174.600 0.579 0.000 1.030 156 S CA 1.395 60.018 58.200 0.705 0.000 0.999 156 S CB -0.570 63.002 63.200 0.619 0.000 0.844 156 S HN 0.648 8.958 8.310 -0.000 0.000 0.459 157 Y N 0.907 121.457 120.300 0.415 0.000 2.097 157 Y HA -0.204 4.346 4.550 0.001 0.000 0.282 157 Y C 1.725 177.599 175.900 -0.044 0.000 1.152 157 Y CA 1.750 59.930 58.100 0.134 0.000 1.136 157 Y CB -0.299 38.182 38.460 0.036 0.000 0.975 157 Y HN 0.240 8.520 8.280 -0.000 0.000 0.498 158 F N -0.987 119.262 119.950 0.499 0.000 2.615 158 F HA -0.019 4.508 4.527 0.001 0.000 0.297 158 F C 2.022 177.874 175.800 0.087 0.000 1.124 158 F CA 0.442 58.632 58.000 0.317 0.000 1.451 158 F CB -0.110 39.086 39.000 0.327 0.000 1.103 158 F HN 0.026 8.326 8.300 -0.000 0.000 0.569 159 I N -0.116 120.533 120.570 0.130 0.000 2.252 159 I HA -0.280 3.890 4.170 0.001 0.000 0.245 159 I C 2.141 178.046 176.117 -0.354 0.000 1.102 159 I CA 0.941 62.073 61.300 -0.280 0.000 1.385 159 I CB -0.363 37.195 38.000 -0.737 0.000 1.064 159 I HN 0.127 8.337 8.210 -0.000 0.000 0.414 160 N N 0.243 118.872 118.700 -0.117 0.000 2.120 160 N HA -0.233 4.508 4.740 0.001 0.000 0.188 160 N C 1.854 177.337 175.510 -0.045 0.000 1.024 160 N CA 1.449 54.506 53.050 0.012 0.000 0.852 160 N CB -0.320 38.304 38.487 0.228 0.000 1.003 160 N HN 0.346 8.726 8.380 -0.000 0.000 0.424 161 Y N 1.441 121.659 120.300 -0.137 0.000 2.200 161 Y HA -0.015 4.535 4.550 0.001 0.000 0.290 161 Y C 2.235 178.083 175.900 -0.087 0.000 1.137 161 Y CA 1.276 59.310 58.100 -0.110 0.000 1.163 161 Y CB -0.184 38.220 38.460 -0.092 0.000 0.988 161 Y HN -0.031 8.249 8.280 -0.000 0.000 0.518 162 L N -0.935 120.299 121.223 0.018 0.000 2.095 162 L HA -0.128 4.212 4.340 0.001 0.000 0.204 162 L C 1.937 178.628 176.870 -0.298 0.000 1.080 162 L CA 0.881 55.645 54.840 -0.126 0.000 0.759 162 L CB -0.326 41.628 42.059 -0.175 0.000 0.914 162 L HN 0.228 8.458 8.230 -0.000 0.000 0.439 163 L N -1.253 119.731 121.223 -0.400 0.000 2.513 163 L HA 0.131 4.472 4.340 0.001 0.000 0.222 163 L C 0.401 176.954 176.870 -0.529 0.000 1.096 163 L CA -0.254 54.255 54.840 -0.551 0.000 0.857 163 L CB 0.014 41.559 42.059 -0.857 0.000 1.026 163 L HN 0.194 8.424 8.230 -0.000 0.000 0.469 164 R N -0.434 119.751 120.500 -0.524 0.000 3.225 164 R HA -0.164 4.176 4.340 0.001 0.000 0.245 164 R C -1.622 174.248 176.300 -0.717 0.000 0.928 164 R CA 0.519 56.156 56.100 -0.771 0.000 0.632 164 R CB -1.866 28.067 30.300 -0.613 0.000 1.038 164 R HN 0.324 8.594 8.270 -0.000 0.000 0.461 165 P HA -0.212 4.208 4.420 -0.000 0.000 0.220 165 P C 0.952 178.296 177.300 0.073 0.000 1.144 165 P CA 1.582 64.647 63.100 -0.058 0.000 0.800 165 P CB -0.247 31.458 31.700 0.008 0.000 0.772 166 Y N -1.931 118.452 120.300 0.138 0.000 2.490 166 Y HA 0.430 4.981 4.550 0.001 0.000 0.281 166 Y C 0.416 176.374 175.900 0.097 0.000 1.174 166 Y CA -1.218 56.956 58.100 0.124 0.000 1.295 166 Y CB -0.866 37.648 38.460 0.091 0.000 1.062 166 Y HN -0.179 8.101 8.280 -0.000 0.000 0.522 167 D N 2.851 123.180 120.400 -0.119 0.000 2.349 167 D HA 0.199 4.839 4.640 0.001 0.000 0.232 167 D C -2.067 174.274 176.300 0.068 0.000 1.071 167 D CA -2.405 51.586 54.000 -0.015 0.000 0.832 167 D CB 2.030 42.740 40.800 -0.150 0.000 1.086 167 D HN 0.040 8.410 8.370 -0.000 0.000 0.504 168 P HA -0.004 4.416 4.420 -0.000 0.000 0.253 168 P C 0.142 177.508 177.300 0.111 0.000 1.281 168 P CA 0.014 63.181 63.100 0.111 0.000 0.792 168 P CB -0.178 31.572 31.700 0.083 0.000 1.193 169 K N 0.093 120.559 120.400 0.110 0.000 2.336 169 K HA 0.048 4.369 4.320 0.001 0.000 0.262 169 K C 0.015 176.732 176.600 0.194 0.000 0.992 169 K CA 0.011 56.362 56.287 0.106 0.000 0.927 169 K CB 0.641 33.176 32.500 0.059 0.000 0.956 169 K HN -0.186 8.064 8.250 -0.000 0.000 0.495 170 D N 1.043 121.524 120.400 0.134 0.000 2.349 170 D HA 0.045 4.685 4.640 0.001 0.000 0.214 170 D C -0.471 175.960 176.300 0.218 0.000 1.063 170 D CA 0.513 54.591 54.000 0.130 0.000 0.847 170 D CB 0.436 41.247 40.800 0.019 0.000 0.933 170 D HN 0.532 8.902 8.370 -0.000 0.000 0.513 171 E N 0.149 120.460 120.200 0.184 0.000 2.277 171 E HA 0.609 4.959 4.350 0.001 0.000 0.266 171 E C -0.405 176.204 176.600 0.015 0.000 0.901 171 E CA -0.546 55.917 56.400 0.105 0.000 0.782 171 E CB 2.781 32.492 29.700 0.018 0.000 1.228 171 E HN -0.090 8.270 8.360 -0.000 0.000 0.424 172 I N 1.260 121.782 120.570 -0.080 0.000 2.533 172 I HA 0.248 4.418 4.170 0.001 0.000 0.290 172 I C -0.646 175.311 176.117 -0.266 0.000 1.056 172 I CA -0.762 60.397 61.300 -0.235 0.000 1.057 172 I CB 2.361 40.151 38.000 -0.349 0.000 1.240 172 I HN 0.414 8.624 8.210 -0.000 0.000 0.423 173 T N 5.348 119.711 114.554 -0.319 0.000 2.832 173 T HA 0.355 4.706 4.350 0.001 0.000 0.296 173 T C -0.119 174.220 174.700 -0.602 0.000 0.968 173 T CA -0.236 61.601 62.100 -0.439 0.000 1.107 173 T CB 1.066 69.662 68.868 -0.454 0.000 0.916 173 T HN 0.188 8.428 8.240 -0.000 0.000 0.517 174 V N 4.349 123.881 119.914 -0.636 0.000 2.495 174 V HA 0.359 4.479 4.120 0.001 0.000 0.298 174 V C -0.976 174.807 176.094 -0.518 0.000 1.031 174 V CA -1.026 60.944 62.300 -0.551 0.000 0.871 174 V CB 1.107 32.575 31.823 -0.591 0.000 0.988 174 V HN 0.767 8.957 8.190 -0.000 0.000 0.432 175 Y N 3.253 123.542 120.300 -0.017 0.000 2.350 175 Y HA 0.613 5.163 4.550 0.001 0.000 0.340 175 Y C 1.142 177.100 175.900 0.097 0.000 1.006 175 Y CA 0.932 59.066 58.100 0.056 0.000 1.166 175 Y CB 1.041 39.547 38.460 0.077 0.000 1.168 175 Y HN 1.020 9.300 8.280 -0.000 0.000 0.502 176 G N 1.680 110.607 108.800 0.211 0.000 2.552 176 G HA2 -0.371 3.589 3.960 0.001 0.000 0.265 176 G HA3 -0.371 3.589 3.960 0.001 0.000 0.265 176 G C 1.071 176.073 174.900 0.170 0.000 1.234 176 G CA 0.295 45.486 45.100 0.152 0.000 0.944 176 G HN 0.987 9.277 8.290 -0.000 0.000 0.568 177 T N -1.804 112.808 114.554 0.097 0.000 3.023 177 T HA 0.376 4.726 4.350 0.001 0.000 0.266 177 T C 2.679 177.475 174.700 0.160 0.000 1.093 177 T CA 1.951 64.078 62.100 0.046 0.000 1.129 177 T CB -0.144 68.723 68.868 -0.001 0.000 0.899 177 T HN 2.829 11.069 8.240 -0.000 0.000 0.491 178 G N 1.072 109.975 108.800 0.171 0.000 2.179 178 G HA2 -0.238 3.723 3.960 0.001 0.000 0.260 178 G HA3 -0.238 3.723 3.960 0.001 0.000 0.260 178 G C 0.731 175.715 174.900 0.139 0.000 0.977 178 G CA 0.341 45.541 45.100 0.167 0.000 0.641 178 G HN 0.513 8.803 8.290 -0.000 0.000 0.533 179 E N 0.086 120.349 120.200 0.106 0.000 2.478 179 E HA 0.341 4.691 4.350 0.001 0.000 0.194 179 E C 1.645 178.291 176.600 0.077 0.000 1.045 179 E CA 0.719 57.164 56.400 0.074 0.000 0.868 179 E CB 0.219 29.944 29.700 0.042 0.000 0.885 179 E HN 0.909 9.269 8.360 -0.000 0.000 0.505 180 A N 1.760 124.647 122.820 0.111 0.000 2.450 180 A HA 0.145 4.466 4.320 0.001 0.000 0.255 180 A C 0.282 177.970 177.584 0.173 0.000 1.096 180 A CA -0.031 52.073 52.037 0.112 0.000 0.778 180 A CB 0.276 19.340 19.000 0.107 0.000 1.031 180 A HN -0.084 8.066 8.150 -0.000 0.000 0.494 181 K N 0.663 121.114 120.400 0.085 0.000 2.118 181 K HA 0.589 4.909 4.320 0.001 0.000 0.264 181 K C -0.785 175.891 176.600 0.127 0.000 1.000 181 K CA 0.067 56.368 56.287 0.023 0.000 0.929 181 K CB 0.895 33.354 32.500 -0.069 0.000 1.021 181 K HN 0.682 8.932 8.250 -0.000 0.000 0.463 182 F N -1.641 118.309 119.950 -0.000 0.000 2.668 182 F HA 0.689 5.217 4.527 0.001 0.000 0.309 182 F C -1.566 174.231 175.800 -0.004 0.000 1.117 182 F CA -1.380 56.607 58.000 -0.022 0.000 0.951 182 F CB 1.069 40.076 39.000 0.012 0.000 1.323 182 F HN 0.432 8.732 8.300 -0.000 0.000 0.451 183 A N 3.460 126.384 122.820 0.173 0.000 2.342 183 A HA 0.902 5.223 4.320 0.001 0.000 0.323 183 A C -0.791 176.951 177.584 0.263 0.000 1.125 183 A CA -0.741 51.350 52.037 0.090 0.000 0.785 183 A CB 1.259 20.274 19.000 0.026 0.000 1.221 183 A HN 1.102 9.252 8.150 -0.000 0.000 0.463 184 M N 1.781 121.528 119.600 0.244 0.000 2.386 184 M HA 0.622 5.103 4.480 0.001 0.000 0.293 184 M C -1.747 174.719 176.300 0.276 0.000 1.120 184 M CA -0.683 54.824 55.300 0.345 0.000 0.909 184 M CB 2.174 35.067 32.600 0.488 0.000 1.661 184 M HN 0.459 8.749 8.290 -0.000 0.000 0.452 185 N N 1.514 120.421 118.700 0.345 0.000 2.272 185 N HA 0.359 5.100 4.740 0.001 0.000 0.305 185 N C -1.861 173.907 175.510 0.431 0.000 1.103 185 N CA -0.480 52.780 53.050 0.351 0.000 0.791 185 N CB 1.905 40.584 38.487 0.320 0.000 1.356 185 N HN 0.723 9.103 8.380 -0.000 0.000 0.486 186 Y N 1.791 122.243 120.300 0.252 0.000 2.526 186 Y HA -0.038 4.512 4.550 0.001 0.000 0.330 186 Y C 1.444 177.354 175.900 0.016 0.000 1.156 186 Y CA 0.200 58.393 58.100 0.154 0.000 1.419 186 Y CB 0.534 39.080 38.460 0.143 0.000 1.250 186 Y HN 0.577 8.857 8.280 -0.000 0.000 0.540 187 E N 2.489 122.491 120.200 -0.331 0.000 2.097 187 E HA -0.281 4.070 4.350 0.001 0.000 0.196 187 E C 1.780 177.841 176.600 -0.898 0.000 1.000 187 E CA 2.116 58.066 56.400 -0.749 0.000 0.804 187 E CB 0.001 29.073 29.700 -1.047 0.000 0.740 187 E HN 0.766 9.126 8.360 -0.000 0.000 0.454 188 Q N 0.321 119.482 119.800 -1.065 0.000 2.124 188 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 188 Q C 1.484 177.348 176.000 -0.228 0.000 0.977 188 Q CA 1.507 56.971 55.803 -0.565 0.000 0.850 188 Q CB 0.029 28.465 28.738 -0.504 0.000 0.901 188 Q HN 0.304 8.574 8.270 -0.000 0.000 0.429 189 D N -0.404 119.924 120.400 -0.121 0.000 2.162 189 D HA -0.043 4.598 4.640 0.001 0.000 0.203 189 D C 1.791 178.102 176.300 0.018 0.000 0.967 189 D CA 0.660 54.652 54.000 -0.013 0.000 0.840 189 D CB 0.015 40.839 40.800 0.041 0.000 0.972 189 D HN 0.266 8.636 8.370 -0.000 0.000 0.482 190 I N 1.391 122.005 120.570 0.073 0.000 2.226 190 I HA -0.186 3.984 4.170 0.001 0.000 0.245 190 I C 2.546 178.745 176.117 0.137 0.000 1.100 190 I CA 1.312 62.748 61.300 0.226 0.000 1.374 190 I CB -0.367 37.738 38.000 0.174 0.000 1.057 190 I HN 0.009 8.219 8.210 -0.000 0.000 0.413 191 G N 0.903 109.683 108.800 -0.034 0.000 2.459 191 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 191 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 191 G C 1.619 176.515 174.900 -0.007 0.000 1.183 191 G CA 0.720 45.800 45.100 -0.035 0.000 0.776 191 G HN 0.245 8.535 8.290 -0.000 0.000 0.552 192 L N -0.694 120.505 121.223 -0.039 0.000 2.017 192 L HA 0.048 4.388 4.340 0.001 0.000 0.208 192 L C 2.654 179.452 176.870 -0.120 0.000 1.073 192 L CA 1.585 56.361 54.840 -0.106 0.000 0.745 192 L CB -0.679 41.272 42.059 -0.179 0.000 0.894 192 L HN 0.311 8.541 8.230 -0.000 0.000 0.432 193 Y N -0.417 119.784 120.300 -0.166 0.000 2.224 193 Y HA -0.244 4.307 4.550 0.001 0.000 0.289 193 Y C 2.556 178.530 175.900 0.125 0.000 1.146 193 Y CA 1.991 60.022 58.100 -0.116 0.000 1.182 193 Y CB -0.772 37.448 38.460 -0.399 0.000 0.983 193 Y HN 0.197 8.477 8.280 -0.000 0.000 0.524 194 T N 0.340 115.116 114.554 0.371 0.000 2.746 194 T HA -0.168 4.183 4.350 0.001 0.000 0.267 194 T C 1.858 176.687 174.700 0.217 0.000 1.039 194 T CA 1.390 63.739 62.100 0.414 0.000 1.142 194 T CB -0.252 68.847 68.868 0.385 0.000 0.866 194 T HN 0.139 8.379 8.240 -0.000 0.000 0.444 195 I N 1.200 121.822 120.570 0.087 0.000 2.252 195 I HA -0.086 4.084 4.170 0.001 0.000 0.245 195 I C 2.363 178.471 176.117 -0.015 0.000 1.102 195 I CA 1.278 62.573 61.300 -0.009 0.000 1.385 195 I CB -0.922 37.043 38.000 -0.058 0.000 1.064 195 I HN 0.195 8.405 8.210 -0.000 0.000 0.414 196 K N 0.922 121.300 120.400 -0.035 0.000 2.009 196 K HA -0.139 4.182 4.320 0.001 0.000 0.210 196 K C 2.119 178.784 176.600 0.108 0.000 1.049 196 K CA 1.782 58.013 56.287 -0.094 0.000 0.929 196 K CB -0.973 31.276 32.500 -0.419 0.000 0.714 196 K HN 0.427 8.677 8.250 -0.000 0.000 0.440 197 V N -0.999 119.059 119.914 0.240 0.000 2.626 197 V HA -0.013 4.107 4.120 0.001 0.000 0.252 197 V C 2.262 178.451 176.094 0.159 0.000 1.067 197 V CA 1.659 64.121 62.300 0.269 0.000 1.081 197 V CB -1.041 30.986 31.823 0.339 0.000 0.686 197 V HN 0.157 8.347 8.190 -0.000 0.000 0.468 198 A N 1.429 124.322 122.820 0.122 0.000 2.125 198 A HA -0.069 4.252 4.320 0.001 0.000 0.219 198 A C 2.188 179.795 177.584 0.037 0.000 1.156 198 A CA 2.121 54.200 52.037 0.071 0.000 0.671 198 A CB -0.801 18.228 19.000 0.049 0.000 0.794 198 A HN 0.908 9.058 8.150 -0.000 0.000 0.459 199 T N -4.067 110.514 114.554 0.045 0.000 3.145 199 T HA 0.205 4.555 4.350 0.001 0.000 0.281 199 T C -0.252 174.492 174.700 0.074 0.000 1.003 199 T CA -0.097 62.033 62.100 0.050 0.000 0.901 199 T CB 0.050 68.958 68.868 0.067 0.000 1.112 199 T HN 0.153 8.393 8.240 -0.000 0.000 0.535 200 D N 2.221 122.680 120.400 0.098 0.000 2.274 200 D HA 0.333 4.973 4.640 0.001 0.000 0.239 200 D C -1.773 174.564 176.300 0.062 0.000 1.104 200 D CA -2.236 51.835 54.000 0.118 0.000 0.840 200 D CB 2.317 43.243 40.800 0.209 0.000 1.100 200 D HN -0.053 8.317 8.370 -0.000 0.000 0.477 201 P HA -0.045 4.375 4.420 -0.000 0.000 0.219 201 P C 1.003 178.299 177.300 -0.007 0.000 1.146 201 P CA 0.887 63.992 63.100 0.008 0.000 0.808 201 P CB 0.297 32.002 31.700 0.008 0.000 0.779 202 R N -0.683 119.822 120.500 0.008 0.000 2.241 202 R HA 0.033 4.374 4.340 0.001 0.000 0.224 202 R C 1.706 177.995 176.300 -0.018 0.000 1.101 202 R CA 1.175 57.270 56.100 -0.010 0.000 0.995 202 R CB -0.468 29.824 30.300 -0.013 0.000 0.870 202 R HN 0.163 8.433 8.270 -0.000 0.000 0.463 203 A N 0.490 123.307 122.820 -0.005 0.000 2.390 203 A HA 0.123 4.443 4.320 0.001 0.000 0.232 203 A C 0.364 177.890 177.584 -0.097 0.000 1.233 203 A CA -0.484 51.542 52.037 -0.019 0.000 0.907 203 A CB 0.292 19.323 19.000 0.051 0.000 0.967 203 A HN 0.144 8.294 8.150 -0.000 0.000 0.512 204 L N 1.235 122.391 121.223 -0.112 0.000 2.584 204 L HA 0.126 4.466 4.340 0.001 0.000 0.272 204 L C -0.176 176.491 176.870 -0.338 0.000 1.195 204 L CA 0.655 55.379 54.840 -0.194 0.000 0.920 204 L CB -0.866 41.112 42.059 -0.135 0.000 1.173 204 L HN 0.459 8.688 8.230 -0.000 0.000 0.489 205 N N 3.575 121.888 118.700 -0.646 0.000 2.727 205 N HA -0.225 4.516 4.740 0.001 0.000 0.249 205 N C -0.452 174.655 175.510 -0.672 0.000 1.048 205 N CA 0.919 53.260 53.050 -1.180 0.000 0.714 205 N CB -0.795 37.236 38.487 -0.760 0.000 0.959 205 N HN 0.704 9.084 8.380 -0.000 0.000 0.544 206 R N -1.006 119.237 120.500 -0.427 0.000 2.867 206 R HA 0.613 4.954 4.340 0.001 0.000 0.268 206 R C -0.444 175.829 176.300 -0.045 0.000 1.014 206 R CA -0.888 55.124 56.100 -0.147 0.000 0.946 206 R CB 1.724 31.966 30.300 -0.096 0.000 1.208 206 R HN -0.099 8.171 8.270 -0.000 0.000 0.477 207 V N 2.293 122.233 119.914 0.042 0.000 2.432 207 V HA 0.247 4.367 4.120 0.001 0.000 0.275 207 V C -0.262 175.866 176.094 0.057 0.000 1.043 207 V CA -0.384 61.974 62.300 0.096 0.000 0.925 207 V CB 1.539 33.429 31.823 0.112 0.000 0.985 207 V HN 0.380 8.570 8.190 -0.000 0.000 0.466 208 V N 7.082 127.029 119.914 0.053 0.000 2.448 208 V HA 0.519 4.639 4.120 0.001 0.000 0.295 208 V C -0.167 175.944 176.094 0.029 0.000 1.025 208 V CA -0.415 61.926 62.300 0.068 0.000 0.859 208 V CB 1.749 33.652 31.823 0.133 0.000 0.988 208 V HN 0.653 8.843 8.190 -0.000 0.000 0.431 209 I N 4.674 125.301 120.570 0.096 0.000 2.433 209 I HA 0.413 4.583 4.170 0.001 0.000 0.292 209 I C -1.141 175.129 176.117 0.255 0.000 1.001 209 I CA -0.805 60.576 61.300 0.135 0.000 1.119 209 I CB 1.849 40.037 38.000 0.312 0.000 1.289 209 I HN 0.456 8.665 8.210 -0.000 0.000 0.438 210 Y N 5.677 126.020 120.300 0.071 0.000 2.594 210 Y HA 0.367 4.917 4.550 0.001 0.000 0.342 210 Y C 0.450 176.235 175.900 -0.192 0.000 1.010 210 Y CA -0.925 57.101 58.100 -0.124 0.000 1.270 210 Y CB 0.110 38.515 38.460 -0.091 0.000 1.125 210 Y HN 0.440 8.720 8.280 -0.000 0.000 0.513 211 R N 5.026 125.512 120.500 -0.022 0.000 2.653 211 R HA 0.276 4.616 4.340 0.001 0.000 0.269 211 R C -3.096 173.156 176.300 -0.080 0.000 1.603 211 R CA -1.593 54.502 56.100 -0.007 0.000 1.671 211 R CB 0.804 31.225 30.300 0.201 0.000 1.300 211 R HN 0.252 8.522 8.270 -0.000 0.000 0.668 212 P HA 0.007 4.427 4.420 -0.000 0.000 0.271 212 P C 0.633 177.898 177.300 -0.059 0.000 1.216 212 P CA 0.165 63.173 63.100 -0.154 0.000 0.771 212 P CB 1.622 33.184 31.700 -0.230 0.000 0.864 213 S N 1.430 117.125 115.700 -0.008 0.000 2.465 213 S HA -0.146 4.324 4.470 0.001 0.000 0.241 213 S C 1.433 176.027 174.600 -0.011 0.000 1.000 213 S CA 1.649 59.847 58.200 -0.003 0.000 0.964 213 S CB -1.548 61.661 63.200 0.016 0.000 0.763 213 S HN 0.629 8.939 8.310 -0.000 0.000 0.512 214 T N -1.836 112.719 114.554 0.001 0.000 3.129 214 T HA 0.254 4.604 4.350 0.001 0.000 0.251 214 T C 0.511 175.210 174.700 -0.002 0.000 1.117 214 T CA 0.121 62.227 62.100 0.010 0.000 1.034 214 T CB -0.420 68.474 68.868 0.042 0.000 0.968 214 T HN 0.389 8.629 8.240 -0.000 0.000 0.526 215 N N 0.667 119.351 118.700 -0.027 0.000 2.416 215 N HA 0.426 5.166 4.740 0.001 0.000 0.267 215 N C -1.002 174.457 175.510 -0.084 0.000 1.294 215 N CA -0.287 52.745 53.050 -0.031 0.000 0.891 215 N CB 0.516 38.996 38.487 -0.012 0.000 1.238 215 N HN 0.478 8.858 8.380 -0.000 0.000 0.508 216 I N 0.845 121.344 120.570 -0.118 0.000 2.354 216 I HA 0.504 4.674 4.170 0.001 0.000 0.292 216 I C -0.399 175.562 176.117 -0.259 0.000 0.989 216 I CA -0.625 60.561 61.300 -0.189 0.000 1.188 216 I CB 1.460 39.379 38.000 -0.135 0.000 1.342 216 I HN -0.030 8.180 8.210 -0.000 0.000 0.457 217 I N 4.063 124.348 120.570 -0.475 0.000 3.176 217 I HA 0.417 4.588 4.170 0.001 0.000 0.311 217 I C -0.810 174.938 176.117 -0.617 0.000 1.373 217 I CA -0.242 60.782 61.300 -0.460 0.000 0.938 217 I CB 2.765 40.525 38.000 -0.400 0.000 1.322 217 I HN 0.666 8.876 8.210 -0.000 0.000 0.499 218 T N -0.595 113.794 114.554 -0.275 0.000 2.942 218 T HA 0.420 4.770 4.350 0.001 0.000 0.289 218 T C 0.408 175.199 174.700 0.152 0.000 1.044 218 T CA -0.512 61.578 62.100 -0.018 0.000 1.023 218 T CB 1.883 70.772 68.868 0.034 0.000 1.123 218 T HN 0.696 8.936 8.240 -0.000 0.000 0.512 219 Q N -0.074 119.917 119.800 0.318 0.000 2.061 219 Q HA -0.051 4.289 4.340 0.001 0.000 0.204 219 Q C 2.171 178.219 176.000 0.079 0.000 0.984 219 Q CA 1.633 57.550 55.803 0.189 0.000 0.846 219 Q CB -0.535 28.251 28.738 0.081 0.000 0.902 219 Q HN 0.642 8.912 8.270 -0.000 0.000 0.421 220 L N 0.542 121.811 121.223 0.076 0.000 2.046 220 L HA -0.215 4.126 4.340 0.001 0.000 0.208 220 L C 2.184 179.083 176.870 0.049 0.000 1.077 220 L CA 1.307 56.181 54.840 0.056 0.000 0.747 220 L CB -0.462 41.639 42.059 0.071 0.000 0.896 220 L HN 0.276 8.506 8.230 -0.000 0.000 0.432 221 E N -0.042 120.180 120.200 0.037 0.000 2.106 221 E HA -0.231 4.119 4.350 0.001 0.000 0.192 221 E C 2.109 178.731 176.600 0.037 0.000 0.984 221 E CA 0.843 57.257 56.400 0.024 0.000 0.806 221 E CB -0.147 29.546 29.700 -0.011 0.000 0.750 221 E HN 0.242 8.602 8.360 -0.000 0.000 0.458 222 L N 1.390 122.636 121.223 0.038 0.000 2.017 222 L HA -0.170 4.170 4.340 0.001 0.000 0.208 222 L C 2.052 178.972 176.870 0.083 0.000 1.073 222 L CA 1.569 56.440 54.840 0.051 0.000 0.745 222 L CB -0.310 41.790 42.059 0.068 0.000 0.894 222 L HN 0.099 8.329 8.230 -0.000 0.000 0.432 223 I N -1.198 119.410 120.570 0.062 0.000 2.163 223 I HA -0.326 3.845 4.170 0.001 0.000 0.243 223 I C 2.436 178.659 176.117 0.176 0.000 1.085 223 I CA 1.482 62.840 61.300 0.096 0.000 1.347 223 I CB -0.539 37.478 38.000 0.028 0.000 1.044 223 I HN 0.215 8.425 8.210 -0.000 0.000 0.408 224 S N 0.399 116.171 115.700 0.119 0.000 2.359 224 S HA -0.200 4.270 4.470 0.001 0.000 0.224 224 S C 2.066 176.734 174.600 0.114 0.000 1.035 224 S CA 1.423 59.687 58.200 0.106 0.000 1.018 224 S CB -0.309 62.931 63.200 0.068 0.000 0.876 224 S HN 0.366 8.676 8.310 -0.000 0.000 0.448 225 R N -0.269 120.304 120.500 0.122 0.000 2.092 225 R HA -0.056 4.285 4.340 0.001 0.000 0.231 225 R C 2.216 178.635 176.300 0.198 0.000 1.119 225 R CA 1.208 57.384 56.100 0.126 0.000 0.970 225 R CB -0.257 30.108 30.300 0.109 0.000 0.864 225 R HN 0.601 8.871 8.270 -0.000 0.000 0.440 226 W N 2.191 123.506 121.300 0.025 0.000 2.381 226 W HA -0.180 4.481 4.660 0.001 0.000 0.301 226 W C 1.119 177.699 176.519 0.101 0.000 1.205 226 W CA 1.250 58.619 57.345 0.040 0.000 1.285 226 W CB 0.089 29.548 29.460 -0.002 0.000 1.133 226 W HN 0.145 8.325 8.180 -0.000 0.000 0.521 227 E N 0.542 120.817 120.200 0.125 0.000 2.085 227 E HA -0.264 4.086 4.350 0.001 0.000 0.194 227 E C 1.883 178.418 176.600 -0.109 0.000 0.994 227 E CA 1.462 57.865 56.400 0.004 0.000 0.801 227 E CB -0.180 29.581 29.700 0.102 0.000 0.743 227 E HN 0.036 8.396 8.360 -0.000 0.000 0.453 228 K N 0.920 121.291 120.400 -0.049 0.000 2.097 228 K HA -0.062 4.258 4.320 0.001 0.000 0.205 228 K C 1.909 178.445 176.600 -0.106 0.000 1.050 228 K CA 0.922 57.175 56.287 -0.058 0.000 0.938 228 K CB -0.004 32.490 32.500 -0.010 0.000 0.718 228 K HN -0.076 8.174 8.250 -0.000 0.000 0.442 229 K N 0.575 120.892 120.400 -0.139 0.000 2.057 229 K HA -0.034 4.287 4.320 0.001 0.000 0.207 229 K C 1.968 178.382 176.600 -0.310 0.000 1.049 229 K CA 1.426 57.601 56.287 -0.187 0.000 0.931 229 K CB -0.163 32.248 32.500 -0.149 0.000 0.714 229 K HN 0.408 8.658 8.250 -0.000 0.000 0.440 230 I N -3.454 116.819 120.570 -0.495 0.000 3.956 230 I HA 0.298 4.468 4.170 0.001 0.000 0.333 230 I C 0.681 176.629 176.117 -0.281 0.000 1.302 230 I CA 0.307 61.337 61.300 -0.448 0.000 1.122 230 I CB 0.072 37.660 38.000 -0.687 0.000 1.013 230 I HN 0.103 8.313 8.210 -0.000 0.000 0.405 231 G N 2.457 111.118 108.800 -0.232 0.000 2.246 231 G HA2 -0.316 3.644 3.960 0.001 0.000 0.273 231 G HA3 -0.316 3.644 3.960 0.001 0.000 0.273 231 G C -0.070 174.711 174.900 -0.199 0.000 1.055 231 G CA 0.683 45.680 45.100 -0.172 0.000 0.851 231 G HN 0.701 8.991 8.290 -0.000 0.000 0.500 232 K N -0.774 119.468 120.400 -0.263 0.000 2.508 232 K HA 0.649 4.969 4.320 0.001 0.000 0.260 232 K C -0.763 175.577 176.600 -0.433 0.000 0.949 232 K CA -1.158 54.907 56.287 -0.369 0.000 0.834 232 K CB 1.174 33.377 32.500 -0.494 0.000 1.365 232 K HN -0.041 8.209 8.250 -0.000 0.000 0.437 233 K N 2.577 122.705 120.400 -0.453 0.000 2.270 233 K HA 0.435 4.755 4.320 0.001 0.000 0.255 233 K C -0.936 175.384 176.600 -0.467 0.000 0.936 233 K CA -0.457 55.639 56.287 -0.319 0.000 0.809 233 K CB 0.927 33.339 32.500 -0.148 0.000 1.131 233 K HN 0.390 8.640 8.250 -0.000 0.000 0.427 234 F N 0.570 120.509 119.950 -0.018 0.000 2.523 234 F HA 0.409 4.936 4.527 0.001 0.000 0.329 234 F C 0.821 176.603 175.800 -0.029 0.000 1.061 234 F CA -0.918 57.070 58.000 -0.020 0.000 0.967 234 F CB 1.514 40.507 39.000 -0.011 0.000 1.218 234 F HN 0.199 8.499 8.300 -0.000 0.000 0.480 235 K N 2.574 123.069 120.400 0.158 0.000 2.262 235 K HA 0.264 4.585 4.320 0.001 0.000 0.282 235 K C -0.899 175.721 176.600 0.033 0.000 1.066 235 K CA -0.529 55.798 56.287 0.067 0.000 0.901 235 K CB 0.449 32.971 32.500 0.037 0.000 1.089 235 K HN 0.570 8.820 8.250 -0.000 0.000 0.476 236 K N 5.315 125.712 120.400 -0.006 0.000 2.349 236 K HA 0.207 4.527 4.320 0.001 0.000 0.289 236 K C -0.289 176.206 176.600 -0.174 0.000 1.064 236 K CA -0.002 56.208 56.287 -0.129 0.000 0.947 236 K CB 0.662 33.068 32.500 -0.156 0.000 1.007 236 K HN 0.505 8.755 8.250 -0.000 0.000 0.478 237 I N 4.645 125.080 120.570 -0.225 0.000 2.328 237 I HA 0.123 4.294 4.170 0.001 0.000 0.287 237 I C 0.366 176.324 176.117 -0.266 0.000 1.012 237 I CA -0.704 60.496 61.300 -0.166 0.000 1.195 237 I CB 0.493 38.425 38.000 -0.114 0.000 1.350 237 I HN 0.481 8.691 8.210 -0.000 0.000 0.464 238 H N 5.433 124.448 119.070 -0.091 0.000 2.562 238 H HA 0.312 4.869 4.556 0.001 0.000 0.352 238 H C -0.496 174.780 175.328 -0.086 0.000 1.125 238 H CA -0.293 55.695 56.048 -0.100 0.000 1.379 238 H CB 2.256 31.987 29.762 -0.052 0.000 1.464 238 H HN 0.210 8.490 8.280 -0.000 0.000 0.563 239 V N 5.749 125.678 119.914 0.026 0.000 2.304 239 V HA 0.155 4.275 4.120 0.001 0.000 0.278 239 V C -2.086 174.071 176.094 0.105 0.000 1.018 239 V CA -1.807 60.520 62.300 0.045 0.000 0.814 239 V CB 1.015 32.857 31.823 0.032 0.000 1.021 239 V HN 0.616 8.806 8.190 -0.000 0.000 0.440 240 P HA -0.068 4.352 4.420 -0.000 0.000 0.264 240 P C 1.046 178.411 177.300 0.107 0.000 1.173 240 P CA 0.491 63.639 63.100 0.080 0.000 0.761 240 P CB 0.842 32.575 31.700 0.055 0.000 0.794 241 E N 3.065 123.329 120.200 0.107 0.000 2.058 241 E HA -0.270 4.081 4.350 0.001 0.000 0.194 241 E C 1.551 178.236 176.600 0.142 0.000 0.997 241 E CA 1.249 57.738 56.400 0.148 0.000 0.801 241 E CB 0.006 29.781 29.700 0.126 0.000 0.746 241 E HN 0.517 8.877 8.360 -0.000 0.000 0.450 242 E N 0.705 120.960 120.200 0.092 0.000 2.118 242 E HA -0.265 4.086 4.350 0.001 0.000 0.195 242 E C 1.886 178.520 176.600 0.057 0.000 0.992 242 E CA 1.448 57.886 56.400 0.064 0.000 0.804 242 E CB -0.349 29.377 29.700 0.043 0.000 0.741 242 E HN 0.223 8.583 8.360 -0.000 0.000 0.458 243 E N 1.538 121.778 120.200 0.067 0.000 2.072 243 E HA -0.075 4.275 4.350 0.001 0.000 0.191 243 E C 2.191 178.834 176.600 0.072 0.000 0.985 243 E CA 1.031 57.468 56.400 0.062 0.000 0.801 243 E CB -0.347 29.392 29.700 0.066 0.000 0.750 243 E HN 0.402 8.762 8.360 -0.000 0.000 0.452 244 I N -0.256 120.379 120.570 0.109 0.000 2.226 244 I HA -0.232 3.939 4.170 0.001 0.000 0.245 244 I C 2.178 178.327 176.117 0.052 0.000 1.100 244 I CA 0.732 62.103 61.300 0.119 0.000 1.374 244 I CB -0.194 37.930 38.000 0.207 0.000 1.057 244 I HN 0.039 8.249 8.210 -0.000 0.000 0.413 245 V N 1.090 121.023 119.914 0.032 0.000 2.343 245 V HA -0.282 3.839 4.120 0.001 0.000 0.247 245 V C 2.742 178.812 176.094 -0.040 0.000 1.051 245 V CA 1.953 64.217 62.300 -0.060 0.000 1.036 245 V CB -0.985 30.800 31.823 -0.062 0.000 0.654 245 V HN 0.488 8.678 8.190 -0.000 0.000 0.451 246 A N -0.091 122.724 122.820 -0.008 0.000 1.902 246 A HA -0.170 4.150 4.320 0.001 0.000 0.217 246 A C 2.208 179.786 177.584 -0.010 0.000 1.181 246 A CA 1.808 53.841 52.037 -0.008 0.000 0.623 246 A CB -0.575 18.428 19.000 0.006 0.000 0.818 246 A HN 0.511 8.661 8.150 -0.000 0.000 0.443 247 L N 0.070 121.294 121.223 0.000 0.000 2.079 247 L HA -0.191 4.150 4.340 0.001 0.000 0.210 247 L C 2.898 179.754 176.870 -0.022 0.000 1.081 247 L CA 1.840 56.679 54.840 -0.001 0.000 0.752 247 L CB -1.055 41.015 42.059 0.017 0.000 0.896 247 L HN 0.665 8.895 8.230 -0.000 0.000 0.433 248 T N -3.321 111.209 114.554 -0.040 0.000 3.007 248 T HA -0.134 4.216 4.350 0.001 0.000 0.270 248 T C 1.617 176.284 174.700 -0.055 0.000 1.107 248 T CA 0.880 62.942 62.100 -0.062 0.000 1.118 248 T CB -0.106 68.708 68.868 -0.091 0.000 0.889 248 T HN 0.374 8.614 8.240 -0.000 0.000 0.506 249 K N 0.712 121.086 120.400 -0.043 0.000 2.308 249 K HA 0.115 4.435 4.320 0.001 0.000 0.197 249 K C 2.399 178.983 176.600 -0.026 0.000 1.049 249 K CA 0.833 57.098 56.287 -0.036 0.000 0.991 249 K CB 0.278 32.758 32.500 -0.033 0.000 0.836 249 K HN 0.688 8.938 8.250 -0.000 0.000 0.500 250 E N 1.056 121.244 120.200 -0.020 0.000 2.132 250 E HA 0.072 4.422 4.350 0.001 0.000 0.193 250 E C 0.468 177.061 176.600 -0.012 0.000 0.951 250 E CA -0.120 56.273 56.400 -0.013 0.000 0.843 250 E CB -0.158 29.538 29.700 -0.007 0.000 0.807 250 E HN 0.010 8.370 8.360 -0.000 0.000 0.467 251 L N 2.997 124.213 121.223 -0.013 0.000 2.485 251 L HA 0.169 4.510 4.340 0.001 0.000 0.275 251 L C -1.998 174.860 176.870 -0.018 0.000 1.207 251 L CA -1.726 53.107 54.840 -0.012 0.000 0.855 251 L CB -0.147 41.905 42.059 -0.012 0.000 1.114 251 L HN -0.006 8.224 8.230 -0.000 0.000 0.485 252 P HA 0.104 4.524 4.420 -0.000 0.000 0.277 252 P C -0.957 176.330 177.300 -0.021 0.000 1.276 252 P CA -0.550 62.543 63.100 -0.013 0.000 0.788 252 P CB 0.514 32.213 31.700 -0.002 0.000 1.114 253 E N 0.873 121.062 120.200 -0.018 0.000 2.204 253 E HA 0.206 4.556 4.350 0.001 0.000 0.276 253 E C -1.609 174.993 176.600 0.004 0.000 0.974 253 E CA -2.017 54.368 56.400 -0.025 0.000 0.815 253 E CB 0.799 30.483 29.700 -0.026 0.000 1.119 253 E HN 0.312 8.672 8.360 -0.000 0.000 0.393 254 P HA 0.089 4.509 4.420 -0.000 0.000 0.257 254 P C 0.092 177.364 177.300 -0.047 0.000 1.281 254 P CA 0.162 63.258 63.100 -0.007 0.000 0.826 254 P CB 0.519 32.283 31.700 0.107 0.000 1.237 255 E N 1.978 122.167 120.200 -0.018 0.000 2.130 255 E HA -0.189 4.162 4.350 0.001 0.000 0.196 255 E C 1.687 178.249 176.600 -0.063 0.000 0.998 255 E CA 1.622 58.012 56.400 -0.017 0.000 0.806 255 E CB -0.566 29.135 29.700 0.002 0.000 0.738 255 E HN 0.453 8.813 8.360 -0.000 0.000 0.459 256 N N 0.163 118.810 118.700 -0.089 0.000 2.467 256 N HA -0.049 4.691 4.740 0.001 0.000 0.184 256 N C 1.458 176.851 175.510 -0.195 0.000 1.106 256 N CA 0.505 53.489 53.050 -0.111 0.000 0.892 256 N CB -0.277 38.159 38.487 -0.085 0.000 0.969 256 N HN 0.236 8.616 8.380 -0.000 0.000 0.454 257 I N 1.387 121.774 120.570 -0.304 0.000 2.163 257 I HA -0.093 4.077 4.170 0.001 0.000 0.240 257 I C -0.502 175.252 176.117 -0.606 0.000 1.081 257 I CA 0.950 61.939 61.300 -0.519 0.000 1.353 257 I CB -1.303 36.192 38.000 -0.843 0.000 1.054 257 I HN 0.081 8.291 8.210 -0.000 0.000 0.407 258 P HA -0.161 4.259 4.420 -0.000 0.000 0.218 258 P C 1.820 178.963 177.300 -0.261 0.000 1.149 258 P CA 1.494 64.374 63.100 -0.367 0.000 0.817 258 P CB -0.093 31.534 31.700 -0.123 0.000 0.785 259 I N 0.534 120.993 120.570 -0.184 0.000 2.252 259 I HA -0.157 4.014 4.170 0.001 0.000 0.245 259 I C 2.594 178.630 176.117 -0.134 0.000 1.102 259 I CA 1.374 62.606 61.300 -0.114 0.000 1.385 259 I CB -1.923 36.044 38.000 -0.054 0.000 1.064 259 I HN -0.060 8.150 8.210 -0.000 0.000 0.414 260 A N 0.949 123.657 122.820 -0.186 0.000 1.930 260 A HA -0.133 4.187 4.320 0.001 0.000 0.217 260 A C 2.375 179.823 177.584 -0.226 0.000 1.175 260 A CA 1.204 53.148 52.037 -0.154 0.000 0.627 260 A CB -0.659 18.261 19.000 -0.133 0.000 0.815 260 A HN 0.369 8.519 8.150 -0.000 0.000 0.443 261 I N -0.366 119.914 120.570 -0.485 0.000 2.252 261 I HA -0.231 3.940 4.170 0.001 0.000 0.245 261 I C 2.265 178.104 176.117 -0.463 0.000 1.102 261 I CA 0.964 61.823 61.300 -0.734 0.000 1.385 261 I CB -0.299 37.176 38.000 -0.874 0.000 1.064 261 I HN 0.287 8.497 8.210 -0.000 0.000 0.414 262 L N -0.112 120.920 121.223 -0.318 0.000 2.083 262 L HA -0.261 4.079 4.340 0.001 0.000 0.209 262 L C 2.752 179.532 176.870 -0.150 0.000 1.083 262 L CA 1.242 55.944 54.840 -0.230 0.000 0.752 262 L CB -0.922 40.956 42.059 -0.301 0.000 0.899 262 L HN 0.423 8.653 8.230 -0.000 0.000 0.433 263 H N -0.530 118.441 119.070 -0.165 0.000 2.357 263 H HA -0.208 4.349 4.556 0.001 0.000 0.301 263 H C 2.401 177.664 175.328 -0.107 0.000 1.082 263 H CA 1.981 57.983 56.048 -0.077 0.000 1.342 263 H CB -0.054 29.680 29.762 -0.046 0.000 1.389 263 H HN 0.454 8.734 8.280 -0.000 0.000 0.511 264 C N 0.738 120.041 119.300 0.005 0.000 2.436 264 C HA -0.096 4.365 4.460 0.001 0.000 0.277 264 C C 3.023 177.881 174.990 -0.220 0.000 1.241 264 C CA 1.013 60.022 59.018 -0.016 0.000 1.721 264 C CB -1.286 26.505 27.740 0.086 0.000 2.043 264 C HN 0.543 8.773 8.230 -0.000 0.000 0.472 265 L N -0.665 120.257 121.223 -0.502 0.000 2.095 265 L HA 0.057 4.398 4.340 0.001 0.000 0.204 265 L C 2.060 178.425 176.870 -0.841 0.000 1.080 265 L CA 1.458 55.783 54.840 -0.858 0.000 0.759 265 L CB -0.620 40.468 42.059 -1.618 0.000 0.914 265 L HN 0.256 8.486 8.230 -0.000 0.000 0.439 266 F N -1.446 118.348 119.950 -0.259 0.000 2.678 266 F HA 0.238 4.765 4.527 0.001 0.000 0.305 266 F C 1.772 177.520 175.800 -0.088 0.000 1.090 266 F CA 0.084 57.981 58.000 -0.171 0.000 1.272 266 F CB -0.057 38.828 39.000 -0.193 0.000 1.060 266 F HN -0.096 8.204 8.300 -0.000 0.000 0.576 267 I N -1.007 119.517 120.570 -0.076 0.000 3.570 267 I HA 0.008 4.178 4.170 0.001 0.000 0.270 267 I C 1.698 177.695 176.117 -0.201 0.000 1.162 267 I CA 0.478 61.679 61.300 -0.164 0.000 1.413 267 I CB 0.123 37.884 38.000 -0.398 0.000 1.437 267 I HN -0.149 8.061 8.210 -0.000 0.000 0.457 268 D N 1.179 121.411 120.400 -0.280 0.000 2.234 268 D HA -0.017 4.624 4.640 0.001 0.000 0.205 268 D C 1.377 177.639 176.300 -0.064 0.000 0.962 268 D CA 1.205 55.126 54.000 -0.133 0.000 0.855 268 D CB 0.116 40.884 40.800 -0.054 0.000 0.951 268 D HN 0.355 8.725 8.370 -0.000 0.000 0.500 269 G N -0.237 108.518 108.800 -0.074 0.000 2.295 269 G HA2 -0.251 3.710 3.960 0.001 0.000 0.287 269 G HA3 -0.251 3.710 3.960 0.001 0.000 0.287 269 G C 1.103 175.983 174.900 -0.033 0.000 1.055 269 G CA 0.678 45.758 45.100 -0.033 0.000 0.922 269 G HN 0.563 8.853 8.290 -0.000 0.000 0.503 270 A N -0.318 122.478 122.820 -0.039 0.000 2.024 270 A HA 0.050 4.370 4.320 0.001 0.000 0.220 270 A C 2.599 180.227 177.584 0.073 0.000 1.164 270 A CA 2.716 54.767 52.037 0.025 0.000 0.643 270 A CB -0.608 18.409 19.000 0.028 0.000 0.806 270 A HN 1.733 9.883 8.150 -0.000 0.000 0.451 271 T N -4.729 109.831 114.554 0.010 0.000 3.088 271 T HA 0.160 4.511 4.350 0.001 0.000 0.259 271 T C 1.108 175.715 174.700 -0.154 0.000 1.122 271 T CA 0.966 63.083 62.100 0.028 0.000 1.095 271 T CB -0.002 68.881 68.868 0.026 0.000 0.930 271 T HN 0.220 8.460 8.240 -0.000 0.000 0.508 272 M N 1.417 120.902 119.600 -0.193 0.000 2.327 272 M HA 0.310 4.790 4.480 0.001 0.000 0.365 272 M C 1.483 177.592 176.300 -0.319 0.000 0.992 272 M CA 0.160 55.263 55.300 -0.329 0.000 0.985 272 M CB 0.433 32.923 32.600 -0.183 0.000 1.673 272 M HN 0.454 8.744 8.290 -0.000 0.000 0.586 273 S N 0.166 115.746 115.700 -0.199 0.000 2.650 273 S HA 0.094 4.565 4.470 0.001 0.000 0.219 273 S C 0.129 174.716 174.600 -0.022 0.000 0.960 273 S CA -0.282 57.873 58.200 -0.075 0.000 0.925 273 S CB -0.742 62.472 63.200 0.023 0.000 0.775 273 S HN 0.449 8.759 8.310 -0.000 0.000 0.525 274 Y N -1.650 118.580 120.300 -0.116 0.000 2.615 274 Y HA 0.804 5.354 4.550 0.001 0.000 0.341 274 Y C -1.151 174.615 175.900 -0.224 0.000 1.089 274 Y CA -1.744 56.279 58.100 -0.130 0.000 1.049 274 Y CB 0.555 38.957 38.460 -0.098 0.000 1.296 274 Y HN -0.143 8.137 8.280 -0.000 0.000 0.470 275 D N 1.262 121.671 120.400 0.014 0.000 2.217 275 D HA 0.292 4.933 4.640 0.001 0.000 0.248 275 D C -0.715 175.611 176.300 0.043 0.000 1.008 275 D CA -0.247 53.676 54.000 -0.128 0.000 0.914 275 D CB 1.421 42.193 40.800 -0.046 0.000 1.182 275 D HN 0.351 8.721 8.370 -0.000 0.000 0.451 276 F N 1.102 121.148 119.950 0.159 0.000 2.553 276 F HA 0.064 4.592 4.527 0.001 0.000 0.356 276 F C 1.608 177.466 175.800 0.097 0.000 1.142 276 F CA 0.229 58.322 58.000 0.155 0.000 1.322 276 F CB 0.296 39.355 39.000 0.099 0.000 1.126 276 F HN -0.120 8.180 8.300 -0.000 0.000 0.599 277 K N 1.633 122.207 120.400 0.290 0.000 2.109 277 K HA 0.151 4.471 4.320 0.001 0.000 0.243 277 K C 1.070 177.745 176.600 0.124 0.000 1.006 277 K CA -0.828 55.550 56.287 0.152 0.000 0.917 277 K CB 0.825 33.382 32.500 0.096 0.000 1.081 277 K HN 0.465 8.715 8.250 -0.000 0.000 0.468 278 E N 1.128 121.375 120.200 0.078 0.000 2.070 278 E HA -0.192 4.158 4.350 0.001 0.000 0.197 278 E C 0.963 177.585 176.600 0.036 0.000 1.004 278 E CA 1.510 57.941 56.400 0.053 0.000 0.805 278 E CB -0.096 29.626 29.700 0.037 0.000 0.744 278 E HN 0.454 8.814 8.360 -0.000 0.000 0.451 279 N N 1.424 120.145 118.700 0.034 0.000 2.398 279 N HA -0.026 4.715 4.740 0.001 0.000 0.188 279 N C -0.152 175.368 175.510 0.016 0.000 1.122 279 N CA 0.188 53.248 53.050 0.017 0.000 0.866 279 N CB 0.190 38.686 38.487 0.015 0.000 0.970 279 N HN 0.105 8.485 8.380 -0.000 0.000 0.462 280 D N 0.566 120.989 120.400 0.038 0.000 2.382 280 D HA 0.124 4.764 4.640 0.001 0.000 0.240 280 D C 0.040 176.307 176.300 -0.054 0.000 1.146 280 D CA 0.214 54.234 54.000 0.032 0.000 0.897 280 D CB 1.799 42.677 40.800 0.130 0.000 1.197 280 D HN -0.245 8.125 8.370 -0.000 0.000 0.432 281 V N 2.357 122.232 119.914 -0.065 0.000 2.443 281 V HA 0.126 4.247 4.120 0.001 0.000 0.293 281 V C 0.140 176.157 176.094 -0.129 0.000 1.021 281 V CA -0.763 61.479 62.300 -0.096 0.000 0.848 281 V CB 1.806 33.613 31.823 -0.027 0.000 0.998 281 V HN 0.375 8.565 8.190 -0.000 0.000 0.424 282 E N 3.317 123.358 120.200 -0.264 0.000 2.115 282 E HA 0.442 4.792 4.350 0.001 0.000 0.282 282 E C 0.920 177.493 176.600 -0.045 0.000 0.987 282 E CA 0.012 56.267 56.400 -0.242 0.000 0.797 282 E CB 1.991 31.371 29.700 -0.533 0.000 1.086 282 E HN 0.760 9.120 8.360 -0.000 0.000 0.397 283 A N 3.583 126.479 122.820 0.127 0.000 1.972 283 A HA -0.199 4.122 4.320 0.001 0.000 0.219 283 A C 2.030 179.733 177.584 0.199 0.000 1.169 283 A CA 1.924 54.088 52.037 0.213 0.000 0.635 283 A CB -0.422 18.823 19.000 0.408 0.000 0.810 283 A HN 0.654 8.804 8.150 -0.000 0.000 0.446 284 S N -0.176 115.611 115.700 0.146 0.000 2.469 284 S HA -0.141 4.330 4.470 0.001 0.000 0.238 284 S C 1.704 176.395 174.600 0.152 0.000 0.998 284 S CA 1.799 60.134 58.200 0.226 0.000 0.957 284 S CB -1.146 62.140 63.200 0.143 0.000 0.764 284 S HN 0.817 9.127 8.310 -0.000 0.000 0.514 285 T N -0.581 113.999 114.554 0.044 0.000 3.100 285 T HA 0.312 4.663 4.350 0.001 0.000 0.253 285 T C 1.590 176.240 174.700 -0.082 0.000 1.118 285 T CA 0.092 62.185 62.100 -0.011 0.000 1.058 285 T CB -0.486 68.352 68.868 -0.050 0.000 0.953 285 T HN 0.395 8.635 8.240 -0.000 0.000 0.515 286 L N -0.915 120.197 121.223 -0.185 0.000 2.095 286 L HA 0.203 4.544 4.340 0.001 0.000 0.204 286 L C 0.083 176.538 176.870 -0.693 0.000 1.080 286 L CA 0.653 55.158 54.840 -0.558 0.000 0.759 286 L CB -0.185 41.275 42.059 -0.998 0.000 0.914 286 L HN 0.285 8.515 8.230 -0.000 0.000 0.439 287 Y N -0.579 119.781 120.300 0.100 0.000 2.338 287 Y HA 0.295 4.846 4.550 0.001 0.000 0.328 287 Y C -1.638 174.285 175.900 0.038 0.000 0.965 287 Y CA -2.928 55.190 58.100 0.030 0.000 1.208 287 Y CB 0.336 38.761 38.460 -0.060 0.000 1.132 287 Y HN -0.145 8.135 8.280 -0.000 0.000 0.469 288 P HA -0.148 4.272 4.420 -0.000 0.000 0.230 288 P C 0.681 178.030 177.300 0.083 0.000 1.158 288 P CA 1.266 64.422 63.100 0.093 0.000 0.769 288 P CB 0.521 32.258 31.700 0.063 0.000 0.807 289 E N -0.040 120.209 120.200 0.081 0.000 2.474 289 E HA 0.058 4.409 4.350 0.001 0.000 0.194 289 E C 0.449 177.059 176.600 0.017 0.000 1.041 289 E CA 0.151 56.571 56.400 0.034 0.000 0.874 289 E CB -0.199 29.502 29.700 0.003 0.000 0.914 289 E HN 0.305 8.665 8.360 -0.000 0.000 0.498 290 L N 0.982 122.233 121.223 0.047 0.000 2.323 290 L HA 0.525 4.866 4.340 0.001 0.000 0.265 290 L C -0.522 176.434 176.870 0.143 0.000 1.012 290 L CA -1.270 53.579 54.840 0.014 0.000 0.820 290 L CB 1.893 43.846 42.059 -0.177 0.000 1.334 290 L HN -0.076 8.154 8.230 -0.000 0.000 0.427 291 K N 0.265 120.756 120.400 0.152 0.000 2.551 291 K HA 0.541 4.861 4.320 0.001 0.000 0.269 291 K C -1.552 175.174 176.600 0.210 0.000 0.949 291 K CA -0.527 55.896 56.287 0.227 0.000 0.849 291 K CB 1.191 33.790 32.500 0.165 0.000 1.411 291 K HN 0.150 8.400 8.250 -0.000 0.000 0.432 292 F N 1.593 121.638 119.950 0.158 0.000 2.412 292 F HA 0.260 4.787 4.527 0.001 0.000 0.348 292 F C 0.516 176.378 175.800 0.105 0.000 1.102 292 F CA 0.160 58.221 58.000 0.101 0.000 1.196 292 F CB 1.512 40.489 39.000 -0.038 0.000 1.144 292 F HN 0.499 8.799 8.300 -0.000 0.000 0.541 293 T N 2.393 117.125 114.554 0.296 0.000 2.871 293 T HA 0.102 4.452 4.350 0.001 0.000 0.296 293 T C 0.537 175.336 174.700 0.164 0.000 0.998 293 T CA -0.217 61.988 62.100 0.176 0.000 1.162 293 T CB 0.079 69.001 68.868 0.091 0.000 0.947 293 T HN 0.733 8.973 8.240 -0.000 0.000 0.536 294 T N 1.064 115.685 114.554 0.110 0.000 2.754 294 T HA 0.355 4.706 4.350 0.001 0.000 0.286 294 T C 1.722 176.464 174.700 0.070 0.000 0.997 294 T CA -0.881 61.275 62.100 0.092 0.000 0.982 294 T CB 0.430 69.342 68.868 0.074 0.000 1.027 294 T HN 0.447 8.687 8.240 -0.000 0.000 0.529 295 I N 0.267 120.874 120.570 0.062 0.000 2.286 295 I HA -0.096 4.074 4.170 0.001 0.000 0.248 295 I C 2.458 178.614 176.117 0.065 0.000 1.115 295 I CA 1.894 63.229 61.300 0.059 0.000 1.392 295 I CB -0.517 37.503 38.000 0.034 0.000 1.065 295 I HN 0.849 9.059 8.210 -0.000 0.000 0.418 296 D N 0.909 121.345 120.400 0.061 0.000 2.097 296 D HA -0.214 4.426 4.640 0.001 0.000 0.195 296 D C 2.054 178.399 176.300 0.075 0.000 0.989 296 D CA 1.362 55.405 54.000 0.071 0.000 0.827 296 D CB 0.105 40.942 40.800 0.060 0.000 0.966 296 D HN 0.307 8.677 8.370 -0.000 0.000 0.456 297 E N -0.252 119.983 120.200 0.058 0.000 2.110 297 E HA -0.148 4.202 4.350 0.001 0.000 0.193 297 E C 2.332 178.945 176.600 0.022 0.000 0.988 297 E CA 0.535 56.961 56.400 0.043 0.000 0.804 297 E CB -0.053 29.662 29.700 0.026 0.000 0.745 297 E HN 0.396 8.756 8.360 -0.000 0.000 0.458 298 L N 0.671 121.904 121.223 0.017 0.000 2.017 298 L HA -0.201 4.140 4.340 0.001 0.000 0.208 298 L C 2.435 179.427 176.870 0.203 0.000 1.073 298 L CA 0.977 55.841 54.840 0.039 0.000 0.745 298 L CB -0.316 41.786 42.059 0.071 0.000 0.894 298 L HN 0.168 8.398 8.230 -0.000 0.000 0.432 299 L N -0.706 120.624 121.223 0.178 0.000 2.131 299 L HA -0.228 4.113 4.340 0.001 0.000 0.210 299 L C 2.130 179.178 176.870 0.296 0.000 1.092 299 L CA 0.945 55.951 54.840 0.275 0.000 0.759 299 L CB -0.667 41.561 42.059 0.282 0.000 0.903 299 L HN 0.296 8.526 8.230 -0.000 0.000 0.435 300 D N 0.331 120.822 120.400 0.152 0.000 2.144 300 D HA -0.128 4.512 4.640 0.001 0.000 0.199 300 D C 2.277 178.591 176.300 0.024 0.000 0.984 300 D CA 1.129 55.148 54.000 0.031 0.000 0.834 300 D CB 0.006 40.853 40.800 0.078 0.000 0.955 300 D HN 0.299 8.669 8.370 -0.000 0.000 0.465 301 I N -0.213 120.422 120.570 0.108 0.000 2.226 301 I HA -0.250 3.921 4.170 0.001 0.000 0.245 301 I C 1.908 178.057 176.117 0.054 0.000 1.100 301 I CA 0.714 62.058 61.300 0.074 0.000 1.374 301 I CB -0.152 37.834 38.000 -0.023 0.000 1.057 301 I HN -0.094 8.116 8.210 -0.000 0.000 0.413 302 F N -0.025 119.980 119.950 0.092 0.000 2.365 302 F HA -0.137 4.391 4.527 0.001 0.000 0.300 302 F C 2.264 178.207 175.800 0.238 0.000 1.090 302 F CA 0.956 59.039 58.000 0.138 0.000 1.408 302 F CB -0.421 38.586 39.000 0.013 0.000 1.060 302 F HN -0.178 8.122 8.300 -0.000 0.000 0.534 303 V N -0.961 119.137 119.914 0.307 0.000 2.346 303 V HA -0.262 3.858 4.120 0.001 0.000 0.244 303 V C 2.015 178.137 176.094 0.046 0.000 1.037 303 V CA 2.067 64.439 62.300 0.120 0.000 1.029 303 V CB -0.677 31.042 31.823 -0.172 0.000 0.663 303 V HN 0.353 8.543 8.190 -0.000 0.000 0.454 304 H N -1.149 118.004 119.070 0.139 0.000 2.355 304 H HA 0.061 4.618 4.556 0.001 0.000 0.303 304 H C 0.576 175.941 175.328 0.062 0.000 1.061 304 H CA 1.164 57.263 56.048 0.085 0.000 1.368 304 H CB 0.452 30.254 29.762 0.066 0.000 1.412 304 H HN 0.312 8.592 8.280 -0.000 0.000 0.523 305 D N 0.046 120.537 120.400 0.151 0.000 2.823 305 D HA 0.106 4.746 4.640 0.001 0.000 0.255 305 D C -2.802 173.471 176.300 -0.045 0.000 1.257 305 D CA -1.862 52.178 54.000 0.065 0.000 0.803 305 D CB 0.608 41.450 40.800 0.070 0.000 1.384 305 D HN 0.039 8.409 8.370 -0.000 0.000 0.541 306 P HA 0.207 4.627 4.420 -0.000 0.000 0.267 306 P C -2.420 174.726 177.300 -0.256 0.000 1.205 306 P CA -0.845 62.049 63.100 -0.342 0.000 0.765 306 P CB 0.421 32.075 31.700 -0.077 0.000 0.828 307 P HA 0.345 4.765 4.420 -0.000 0.000 0.277 307 P C -2.642 174.660 177.300 0.003 0.000 1.240 307 P CA -2.034 61.002 63.100 -0.106 0.000 0.798 307 P CB -0.522 31.155 31.700 -0.038 0.000 0.979 308 P HA 0.177 4.597 4.420 -0.000 0.000 0.269 308 P C -2.069 175.279 177.300 0.079 0.000 1.215 308 P CA -0.932 62.188 63.100 0.034 0.000 0.780 308 P CB -0.905 30.803 31.700 0.014 0.000 0.898 309 P HA 0.332 4.752 4.420 -0.000 0.000 0.274 309 P C -1.219 176.025 177.300 -0.094 0.000 1.246 309 P CA -0.121 62.973 63.100 -0.010 0.000 0.795 309 P CB 0.798 32.477 31.700 -0.035 0.000 1.006 310 A N 0.292 122.949 122.820 -0.273 0.000 2.566 310 A HA 0.639 4.959 4.320 0.001 0.000 0.292 310 A C -0.961 176.354 177.584 -0.450 0.000 1.112 310 A CA -0.590 51.253 52.037 -0.324 0.000 0.707 310 A CB 1.479 20.199 19.000 -0.466 0.000 1.302 310 A HN 0.433 8.583 8.150 -0.000 0.000 0.409 311 S N -0.106 115.477 115.700 -0.196 0.000 2.733 311 S HA 0.619 5.090 4.470 0.001 0.000 0.294 311 S C -0.050 174.535 174.600 -0.025 0.000 1.149 311 S CA 0.143 58.298 58.200 -0.075 0.000 1.034 311 S CB 0.731 63.914 63.200 -0.028 0.000 1.015 311 S HN 1.914 10.224 8.310 -0.000 0.000 0.486 312 A N 3.494 126.319 122.820 0.008 0.000 2.448 312 A HA 0.676 4.996 4.320 0.001 0.000 0.239 312 A C 0.626 177.891 177.584 -0.532 0.000 1.080 312 A CA 0.113 51.983 52.037 -0.279 0.000 0.779 312 A CB -0.009 18.729 19.000 -0.438 0.000 1.026 312 A HN 1.266 9.416 8.150 -0.000 0.000 0.499 313 A N 0.733 123.268 122.820 -0.476 0.000 2.309 313 A HA 0.713 5.033 4.320 0.001 0.000 0.298 313 A C -0.604 176.664 177.584 -0.527 0.000 1.165 313 A CA -0.169 51.657 52.037 -0.351 0.000 0.821 313 A CB -0.054 18.883 19.000 -0.105 0.000 1.102 313 A HN 0.644 8.794 8.150 -0.000 0.000 0.500 314 F N 0.000 119.999 119.950 0.082 0.000 2.286 314 F HA 0.000 4.527 4.527 0.001 0.000 0.279 314 F CA 0.000 58.033 58.000 0.055 0.000 1.383 314 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 314 F HN 0.000 8.300 8.300 -0.000 0.000 0.574