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 1tff_1_A DATA FIRST_RESID 7 DATA SEQUENCE NLISEKCDIL SILRDHPENR IYRRKIEELS KRFTAIRKTK GDRNCFYRAL DATA SEQUENCE GYSYLESLLG KSREIFKFKE RVLQTPNDLL AAGFEEHKFR NFFNAFYSVV DATA SEQUENCE ELVEKDGSVS SLLKVFNDQS ASDHIVQFLR LLTSAFIRNR ADFFRHFIDE DATA SEQUENCE EXDIKDFCTH EVEPXATECD HIQITALSQA LSIALQVEYV DXXXXXXXHH DATA SEQUENCE VFPEAATPSV YLLYKTSHYN ILYAADKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 7 N C 0.000 175.526 175.510 0.027 0.000 1.280 7 N CA 0.000 53.061 53.050 0.018 0.000 0.885 7 N CB 0.000 38.490 38.487 0.004 0.000 1.341 8 L N 0.614 121.855 121.223 0.031 0.000 2.109 8 L HA 0.212 4.553 4.340 0.001 0.000 0.207 8 L C 0.339 177.224 176.870 0.025 0.000 1.086 8 L CA 1.074 55.941 54.840 0.046 0.000 0.760 8 L CB -0.073 42.028 42.059 0.069 0.000 0.910 8 L HN 0.418 8.648 8.230 -0.000 0.000 0.437 9 I N -0.396 120.157 120.570 -0.028 0.000 2.499 9 I HA 0.179 4.349 4.170 0.001 0.000 0.288 9 I C 0.154 176.208 176.117 -0.105 0.000 1.048 9 I CA -0.214 61.021 61.300 -0.108 0.000 1.062 9 I CB 1.870 39.686 38.000 -0.307 0.000 1.238 9 I HN 0.033 8.243 8.210 -0.000 0.000 0.426 10 S N 5.398 121.060 115.700 -0.062 0.000 2.645 10 S HA 0.309 4.779 4.470 0.001 0.000 0.266 10 S C 0.215 174.783 174.600 -0.054 0.000 1.258 10 S CA -0.520 57.657 58.200 -0.038 0.000 0.990 10 S CB 1.357 64.554 63.200 -0.006 0.000 0.967 10 S HN 0.639 8.949 8.310 -0.000 0.000 0.556 11 E N 0.842 121.019 120.200 -0.038 0.000 2.410 11 E HA 0.136 4.486 4.350 0.001 0.000 0.255 11 E C -0.769 175.810 176.600 -0.036 0.000 1.194 11 E CA -0.222 56.154 56.400 -0.040 0.000 0.955 11 E CB 0.248 29.928 29.700 -0.032 0.000 0.988 11 E HN 0.639 8.999 8.360 -0.000 0.000 0.461 12 K N 0.304 120.665 120.400 -0.064 0.000 2.298 12 K HA 0.267 4.588 4.320 0.001 0.000 0.280 12 K C -0.641 175.936 176.600 -0.039 0.000 1.032 12 K CA -0.357 55.884 56.287 -0.076 0.000 0.958 12 K CB 0.706 33.097 32.500 -0.180 0.000 0.978 12 K HN 0.461 8.711 8.250 -0.000 0.000 0.472 13 C N 1.395 120.688 119.300 -0.011 0.000 3.044 13 C HA 0.286 4.747 4.460 0.001 0.000 0.315 13 C C -0.620 174.374 174.990 0.007 0.000 1.320 13 C CA -1.174 57.841 59.018 -0.005 0.000 1.582 13 C CB 1.552 29.289 27.740 -0.004 0.000 2.039 13 C HN 0.760 8.990 8.230 -0.000 0.000 0.466 14 D N 1.300 121.704 120.400 0.007 0.000 2.472 14 D HA 0.085 4.725 4.640 0.001 0.000 0.237 14 D C 1.358 177.671 176.300 0.022 0.000 1.141 14 D CA -0.047 53.963 54.000 0.017 0.000 0.875 14 D CB 0.539 41.346 40.800 0.013 0.000 1.192 14 D HN 0.242 8.612 8.370 -0.000 0.000 0.450 15 I N 1.532 122.125 120.570 0.039 0.000 2.151 15 I HA -0.253 3.917 4.170 0.001 0.000 0.243 15 I C 2.173 178.302 176.117 0.020 0.000 1.080 15 I CA 0.903 62.226 61.300 0.039 0.000 1.339 15 I CB -0.612 37.431 38.000 0.072 0.000 1.039 15 I HN 0.373 8.583 8.210 -0.000 0.000 0.409 16 L N 1.129 122.366 121.223 0.024 0.000 2.450 16 L HA -0.128 4.213 4.340 0.001 0.000 0.224 16 L C 2.673 179.547 176.870 0.006 0.000 1.149 16 L CA 1.477 56.329 54.840 0.019 0.000 0.816 16 L CB -1.261 40.810 42.059 0.021 0.000 0.932 16 L HN 0.370 8.600 8.230 -0.000 0.000 0.449 17 S N -1.741 113.957 115.700 -0.003 0.000 2.474 17 S HA -0.092 4.379 4.470 0.001 0.000 0.235 17 S C 1.976 176.547 174.600 -0.050 0.000 0.997 17 S CA 0.548 58.739 58.200 -0.016 0.000 0.949 17 S CB -0.554 62.637 63.200 -0.015 0.000 0.766 17 S HN 0.451 8.761 8.310 -0.000 0.000 0.517 18 I N 1.040 121.571 120.570 -0.065 0.000 2.361 18 I HA -0.148 4.023 4.170 0.001 0.000 0.251 18 I C 2.285 178.368 176.117 -0.057 0.000 1.133 18 I CA 1.124 62.351 61.300 -0.121 0.000 1.413 18 I CB -0.316 37.635 38.000 -0.081 0.000 1.073 18 I HN 0.315 8.525 8.210 -0.000 0.000 0.424 19 L N -0.482 120.740 121.223 -0.001 0.000 2.062 19 L HA -0.073 4.267 4.340 0.001 0.000 0.202 19 L C 2.695 179.587 176.870 0.036 0.000 1.079 19 L CA 0.614 55.472 54.840 0.029 0.000 0.755 19 L CB -0.666 41.410 42.059 0.030 0.000 0.913 19 L HN 0.032 8.262 8.230 -0.000 0.000 0.445 20 R N 0.957 121.472 120.500 0.025 0.000 2.159 20 R HA -0.179 4.161 4.340 0.001 0.000 0.252 20 R C 1.155 177.482 176.300 0.045 0.000 1.144 20 R CA 1.638 57.755 56.100 0.028 0.000 0.961 20 R CB -0.830 29.482 30.300 0.019 0.000 0.877 20 R HN 0.378 8.648 8.270 -0.000 0.000 0.444 21 D N -0.236 120.200 120.400 0.059 0.000 1.944 21 D HA -0.068 4.572 4.640 0.001 0.000 0.262 21 D C -0.041 176.371 176.300 0.187 0.000 1.127 21 D CA 0.453 54.531 54.000 0.129 0.000 0.957 21 D CB -0.707 40.193 40.800 0.167 0.000 1.227 21 D HN 0.299 8.669 8.370 -0.000 0.000 0.483 22 H N -0.065 118.999 119.070 -0.011 0.000 1.615 22 H HA -0.108 4.449 4.556 0.001 0.000 0.306 22 H C -1.674 173.646 175.328 -0.013 0.000 0.738 22 H CA -0.126 55.915 56.048 -0.013 0.000 1.038 22 H CB -0.842 28.915 29.762 -0.009 0.000 1.431 22 H HN 0.218 8.498 8.280 -0.000 0.000 0.228 23 P HA -0.145 4.275 4.420 -0.000 0.000 0.223 23 P C 1.439 178.736 177.300 -0.005 0.000 1.151 23 P CA 1.490 64.599 63.100 0.015 0.000 0.787 23 P CB 0.270 31.965 31.700 -0.009 0.000 0.788 24 E N -0.062 120.135 120.200 -0.004 0.000 2.160 24 E HA -0.223 4.127 4.350 0.001 0.000 0.195 24 E C 1.300 177.867 176.600 -0.055 0.000 0.991 24 E CA 1.071 57.455 56.400 -0.026 0.000 0.810 24 E CB -1.117 28.579 29.700 -0.008 0.000 0.742 24 E HN 0.254 8.614 8.360 -0.000 0.000 0.466 25 N N 0.946 119.662 118.700 0.027 0.000 2.521 25 N HA -0.005 4.735 4.740 0.001 0.000 0.188 25 N C 1.373 176.848 175.510 -0.058 0.000 1.146 25 N CA 0.323 53.393 53.050 0.034 0.000 0.893 25 N CB 0.014 38.590 38.487 0.148 0.000 0.975 25 N HN 0.308 8.688 8.380 -0.000 0.000 0.451 26 R N 0.353 120.802 120.500 -0.084 0.000 2.148 26 R HA -0.025 4.316 4.340 0.001 0.000 0.227 26 R C 1.926 178.158 176.300 -0.114 0.000 1.103 26 R CA 0.537 56.596 56.100 -0.067 0.000 0.983 26 R CB -0.216 30.057 30.300 -0.045 0.000 0.874 26 R HN 0.082 8.352 8.270 -0.000 0.000 0.451 27 I N 0.577 120.999 120.570 -0.247 0.000 2.361 27 I HA -0.250 3.920 4.170 0.001 0.000 0.251 27 I C 0.650 176.663 176.117 -0.174 0.000 1.133 27 I CA 1.296 62.437 61.300 -0.266 0.000 1.413 27 I CB 0.032 37.799 38.000 -0.388 0.000 1.073 27 I HN 0.095 8.305 8.210 -0.000 0.000 0.424 28 Y N -0.336 119.980 120.300 0.027 0.000 2.645 28 Y HA 0.294 4.844 4.550 0.001 0.000 0.307 28 Y C 2.087 178.004 175.900 0.029 0.000 1.151 28 Y CA -0.235 57.884 58.100 0.031 0.000 1.291 28 Y CB -1.218 37.263 38.460 0.034 0.000 1.135 28 Y HN 0.086 8.366 8.280 -0.000 0.000 0.523 29 R N 1.053 121.615 120.500 0.105 0.000 2.105 29 R HA -0.213 4.127 4.340 0.001 0.000 0.239 29 R C 2.231 178.579 176.300 0.080 0.000 1.135 29 R CA 1.556 57.702 56.100 0.078 0.000 0.967 29 R CB 0.056 30.379 30.300 0.040 0.000 0.861 29 R HN 0.228 8.498 8.270 -0.000 0.000 0.442 30 R N 0.718 121.268 120.500 0.082 0.000 2.115 30 R HA -0.043 4.297 4.340 0.001 0.000 0.226 30 R C 2.095 178.445 176.300 0.084 0.000 1.100 30 R CA 1.383 57.526 56.100 0.071 0.000 0.980 30 R CB -0.154 30.184 30.300 0.064 0.000 0.875 30 R HN 0.012 8.282 8.270 -0.000 0.000 0.445 31 K N 0.319 120.784 120.400 0.109 0.000 2.103 31 K HA -0.050 4.270 4.320 0.001 0.000 0.204 31 K C 1.647 178.304 176.600 0.096 0.000 1.052 31 K CA 1.038 57.388 56.287 0.104 0.000 0.945 31 K CB -0.031 32.534 32.500 0.109 0.000 0.722 31 K HN 0.139 8.389 8.250 -0.000 0.000 0.443 32 I N 2.079 122.709 120.570 0.100 0.000 2.315 32 I HA -0.183 3.987 4.170 0.001 0.000 0.248 32 I C 2.003 178.165 176.117 0.075 0.000 1.117 32 I CA 1.247 62.596 61.300 0.081 0.000 1.404 32 I CB -0.880 37.167 38.000 0.079 0.000 1.071 32 I HN 0.200 8.410 8.210 -0.000 0.000 0.419 33 E N 0.025 120.267 120.200 0.070 0.000 2.106 33 E HA -0.215 4.136 4.350 0.001 0.000 0.192 33 E C 2.110 178.747 176.600 0.061 0.000 0.984 33 E CA 0.870 57.305 56.400 0.058 0.000 0.806 33 E CB -0.148 29.580 29.700 0.047 0.000 0.750 33 E HN 0.454 8.814 8.360 -0.000 0.000 0.458 34 E N 1.145 121.386 120.200 0.069 0.000 2.110 34 E HA -0.185 4.165 4.350 0.001 0.000 0.193 34 E C 2.120 178.780 176.600 0.100 0.000 0.988 34 E CA 0.670 57.112 56.400 0.070 0.000 0.804 34 E CB 0.004 29.749 29.700 0.075 0.000 0.745 34 E HN 0.282 8.642 8.360 -0.000 0.000 0.458 35 L N 1.082 122.389 121.223 0.140 0.000 2.079 35 L HA -0.195 4.145 4.340 0.001 0.000 0.210 35 L C 2.733 179.740 176.870 0.229 0.000 1.081 35 L CA 1.556 56.545 54.840 0.249 0.000 0.752 35 L CB -0.526 41.646 42.059 0.189 0.000 0.896 35 L HN 0.189 8.419 8.230 -0.000 0.000 0.433 36 S N -0.717 115.059 115.700 0.127 0.000 2.474 36 S HA -0.165 4.306 4.470 0.001 0.000 0.235 36 S C 1.749 176.378 174.600 0.047 0.000 0.997 36 S CA 0.810 59.065 58.200 0.091 0.000 0.949 36 S CB -0.195 63.042 63.200 0.061 0.000 0.766 36 S HN 0.402 8.712 8.310 -0.000 0.000 0.517 37 K N 0.446 120.860 120.400 0.024 0.000 2.356 37 K HA 0.261 4.581 4.320 0.001 0.000 0.195 37 K C 2.210 178.746 176.600 -0.107 0.000 1.037 37 K CA 0.229 56.500 56.287 -0.027 0.000 1.014 37 K CB 0.125 32.613 32.500 -0.020 0.000 0.815 37 K HN 0.307 8.557 8.250 -0.000 0.000 0.507 38 R N -0.650 119.743 120.500 -0.179 0.000 2.254 38 R HA 0.188 4.528 4.340 0.001 0.000 0.193 38 R C -0.297 175.460 176.300 -0.906 0.000 0.929 38 R CA 0.221 56.011 56.100 -0.518 0.000 1.038 38 R CB 0.490 30.408 30.300 -0.637 0.000 1.009 38 R HN -0.022 8.248 8.270 -0.000 0.000 0.512 39 F N -0.490 119.413 119.950 -0.079 0.000 2.546 39 F HA 0.210 4.738 4.527 0.001 0.000 0.320 39 F C 1.309 177.094 175.800 -0.025 0.000 1.076 39 F CA -0.879 57.070 58.000 -0.084 0.000 0.928 39 F CB 1.936 40.881 39.000 -0.091 0.000 1.189 39 F HN -0.172 8.128 8.300 -0.000 0.000 0.465 40 T N -1.419 113.242 114.554 0.177 0.000 3.023 40 T HA 0.738 5.088 4.350 0.001 0.000 0.253 40 T C 0.134 174.906 174.700 0.120 0.000 1.038 40 T CA 0.312 62.480 62.100 0.112 0.000 0.962 40 T CB 0.141 69.051 68.868 0.070 0.000 1.018 40 T HN 0.754 8.994 8.240 -0.000 0.000 0.521 41 A N 0.482 123.417 122.820 0.190 0.000 2.601 41 A HA 0.761 5.082 4.320 0.001 0.000 0.291 41 A C -2.013 175.708 177.584 0.228 0.000 1.075 41 A CA -0.961 51.168 52.037 0.153 0.000 0.671 41 A CB 1.082 20.110 19.000 0.047 0.000 1.277 41 A HN 0.491 8.641 8.150 -0.000 0.000 0.417 42 I N 0.120 120.784 120.570 0.157 0.000 2.619 42 I HA 0.635 4.806 4.170 0.001 0.000 0.292 42 I C -0.711 175.493 176.117 0.146 0.000 1.100 42 I CA -0.707 60.681 61.300 0.145 0.000 1.043 42 I CB 1.730 39.751 38.000 0.035 0.000 1.239 42 I HN 0.769 8.979 8.210 -0.000 0.000 0.420 43 R N 5.413 126.033 120.500 0.201 0.000 2.514 43 R HA 0.490 4.831 4.340 0.001 0.000 0.301 43 R C -1.085 175.262 176.300 0.079 0.000 0.962 43 R CA -0.970 55.204 56.100 0.122 0.000 0.882 43 R CB 2.010 32.402 30.300 0.153 0.000 1.143 43 R HN 0.458 8.728 8.270 -0.000 0.000 0.452 44 K N 1.077 121.508 120.400 0.052 0.000 2.172 44 K HA 0.206 4.526 4.320 0.001 0.000 0.276 44 K C -0.134 176.518 176.600 0.087 0.000 1.013 44 K CA -0.240 56.091 56.287 0.074 0.000 0.913 44 K CB 1.439 33.965 32.500 0.043 0.000 1.055 44 K HN 0.576 8.826 8.250 -0.000 0.000 0.461 45 T N -0.823 113.833 114.554 0.169 0.000 2.855 45 T HA 0.347 4.698 4.350 0.001 0.000 0.281 45 T C -0.190 174.635 174.700 0.208 0.000 1.007 45 T CA -1.131 61.047 62.100 0.130 0.000 1.009 45 T CB 1.239 70.146 68.868 0.066 0.000 0.983 45 T HN 0.424 8.664 8.240 -0.000 0.000 0.455 46 K N 1.166 121.652 120.400 0.144 0.000 2.485 46 K HA 0.323 4.643 4.320 0.001 0.000 0.277 46 K C 0.875 177.616 176.600 0.236 0.000 0.990 46 K CA -0.023 56.366 56.287 0.169 0.000 0.994 46 K CB -0.008 32.557 32.500 0.108 0.000 0.906 46 K HN 0.888 9.138 8.250 -0.000 0.000 0.488 47 G N 3.497 112.485 108.800 0.313 0.000 3.064 47 G HA2 0.036 3.996 3.960 0.001 0.000 0.286 47 G HA3 0.036 3.996 3.960 0.001 0.000 0.286 47 G C -0.310 174.693 174.900 0.172 0.000 0.834 47 G CA -0.359 44.941 45.100 0.333 0.000 1.856 47 G HN 0.819 9.110 8.290 -0.000 0.000 0.559 48 D N 0.171 120.646 120.400 0.125 0.000 2.571 48 D HA 0.059 4.699 4.640 0.001 0.000 0.239 48 D C 1.176 177.530 176.300 0.089 0.000 1.267 48 D CA -0.783 53.273 54.000 0.093 0.000 0.823 48 D CB -0.045 40.803 40.800 0.079 0.000 1.056 48 D HN 0.393 8.763 8.370 -0.000 0.000 0.494 49 R N -0.734 119.830 120.500 0.107 0.000 3.840 49 R HA -0.132 4.209 4.340 0.001 0.000 0.464 49 R C 0.005 176.394 176.300 0.149 0.000 0.986 49 R CA 1.007 57.178 56.100 0.119 0.000 1.305 49 R CB -2.007 28.348 30.300 0.091 0.000 1.950 49 R HN 0.198 8.468 8.270 -0.000 0.000 0.526 50 N N 0.022 118.809 118.700 0.145 0.000 2.177 50 N HA 0.083 4.823 4.740 0.001 0.000 0.218 50 N C 1.349 176.978 175.510 0.198 0.000 1.182 50 N CA 0.819 53.989 53.050 0.199 0.000 0.882 50 N CB 0.462 39.019 38.487 0.117 0.000 1.052 50 N HN 0.465 8.845 8.380 -0.000 0.000 0.519 51 C N -0.974 118.395 119.300 0.114 0.000 2.464 51 C HA 0.162 4.622 4.460 0.001 0.000 0.278 51 C C 2.371 177.359 174.990 -0.003 0.000 1.375 51 C CA -0.408 58.621 59.018 0.019 0.000 1.761 51 C CB -1.815 25.812 27.740 -0.188 0.000 1.944 51 C HN 0.243 8.473 8.230 -0.000 0.000 0.509 52 F N 1.991 121.874 119.950 -0.111 0.000 2.095 52 F HA -0.094 4.433 4.527 0.000 0.000 0.298 52 F C 2.309 177.895 175.800 -0.357 0.000 1.104 52 F CA 1.687 59.415 58.000 -0.453 0.000 1.232 52 F CB -0.760 37.762 39.000 -0.796 0.000 0.987 52 F HN 0.222 8.522 8.300 -0.000 0.000 0.475 53 Y N -0.069 120.061 120.300 -0.284 0.000 2.181 53 Y HA -0.132 4.418 4.550 0.001 0.000 0.288 53 Y C 2.817 178.618 175.900 -0.164 0.000 1.146 53 Y CA 1.799 59.727 58.100 -0.287 0.000 1.164 53 Y CB -0.801 37.621 38.460 -0.063 0.000 0.982 53 Y HN -0.003 8.277 8.280 -0.000 0.000 0.515 54 R N 0.087 120.647 120.500 0.101 0.000 2.073 54 R HA -0.104 4.236 4.340 0.001 0.000 0.229 54 R C 2.380 178.728 176.300 0.079 0.000 1.120 54 R CA 1.014 57.230 56.100 0.194 0.000 0.967 54 R CB -0.358 30.055 30.300 0.189 0.000 0.862 54 R HN 0.335 8.605 8.270 -0.000 0.000 0.436 55 A N 0.907 123.686 122.820 -0.069 0.000 1.873 55 A HA -0.163 4.157 4.320 0.001 0.000 0.215 55 A C 1.993 179.464 177.584 -0.188 0.000 1.186 55 A CA 1.098 53.071 52.037 -0.108 0.000 0.616 55 A CB -0.572 18.365 19.000 -0.106 0.000 0.823 55 A HN 0.341 8.491 8.150 -0.000 0.000 0.442 56 L N -0.054 120.925 121.223 -0.406 0.000 2.056 56 L HA 0.037 4.378 4.340 0.001 0.000 0.207 56 L C 2.387 179.154 176.870 -0.172 0.000 1.078 56 L CA 2.253 56.847 54.840 -0.410 0.000 0.749 56 L CB -0.898 40.707 42.059 -0.757 0.000 0.901 56 L HN 0.300 8.530 8.230 -0.000 0.000 0.433 57 G N -1.781 106.989 108.800 -0.050 0.000 2.402 57 G HA2 -0.355 3.606 3.960 0.001 0.000 0.216 57 G HA3 -0.355 3.606 3.960 0.001 0.000 0.216 57 G C 1.560 176.437 174.900 -0.038 0.000 1.162 57 G CA 0.875 46.094 45.100 0.198 0.000 0.777 57 G HN 0.519 8.809 8.290 -0.000 0.000 0.539 58 Y N 1.664 121.640 120.300 -0.541 0.000 2.145 58 Y HA -0.106 4.445 4.550 0.001 0.000 0.286 58 Y C 3.074 178.706 175.900 -0.447 0.000 1.145 58 Y CA 1.887 59.376 58.100 -1.019 0.000 1.148 58 Y CB -0.444 37.415 38.460 -1.003 0.000 0.981 58 Y HN 0.234 8.514 8.280 -0.000 0.000 0.507 59 S N -1.063 114.448 115.700 -0.316 0.000 2.406 59 S HA -0.221 4.250 4.470 0.001 0.000 0.228 59 S C 1.966 176.396 174.600 -0.282 0.000 1.020 59 S CA 1.162 59.188 58.200 -0.290 0.000 0.965 59 S CB -0.866 62.256 63.200 -0.131 0.000 0.798 59 S HN 0.662 8.972 8.310 -0.000 0.000 0.488 60 Y N 1.871 121.975 120.300 -0.326 0.000 2.184 60 Y HA 0.105 4.655 4.550 0.001 0.000 0.290 60 Y C 1.871 177.560 175.900 -0.352 0.000 1.129 60 Y CA 1.449 59.363 58.100 -0.310 0.000 1.144 60 Y CB -0.492 37.795 38.460 -0.287 0.000 0.995 60 Y HN 0.227 8.507 8.280 -0.000 0.000 0.513 61 L N 0.198 121.168 121.223 -0.421 0.000 2.083 61 L HA -0.223 4.118 4.340 0.001 0.000 0.209 61 L C 2.555 179.130 176.870 -0.492 0.000 1.083 61 L CA 1.912 56.476 54.840 -0.460 0.000 0.752 61 L CB -0.620 41.301 42.059 -0.230 0.000 0.899 61 L HN 0.307 8.537 8.230 -0.000 0.000 0.433 62 E N 0.251 120.089 120.200 -0.604 0.000 2.085 62 E HA -0.267 4.083 4.350 0.001 0.000 0.194 62 E C 2.223 178.630 176.600 -0.322 0.000 0.994 62 E CA 1.675 57.775 56.400 -0.501 0.000 0.801 62 E CB 0.046 29.335 29.700 -0.685 0.000 0.743 62 E HN 0.522 8.882 8.360 -0.000 0.000 0.453 63 S N 0.047 115.540 115.700 -0.344 0.000 2.447 63 S HA -0.080 4.390 4.470 0.001 0.000 0.233 63 S C 1.911 176.333 174.600 -0.297 0.000 1.006 63 S CA 0.607 58.650 58.200 -0.261 0.000 0.957 63 S CB -0.280 62.777 63.200 -0.238 0.000 0.773 63 S HN 0.313 8.623 8.310 -0.000 0.000 0.507 64 L N 0.646 121.616 121.223 -0.421 0.000 2.492 64 L HA 0.303 4.643 4.340 0.001 0.000 0.223 64 L C 0.538 177.291 176.870 -0.194 0.000 1.132 64 L CA -0.087 54.548 54.840 -0.342 0.000 0.850 64 L CB -0.438 41.372 42.059 -0.415 0.000 0.966 64 L HN 0.260 8.490 8.230 -0.000 0.000 0.454 65 L N 0.906 122.021 121.223 -0.180 0.000 2.578 65 L HA 0.005 4.346 4.340 0.001 0.000 0.279 65 L C 1.468 178.291 176.870 -0.078 0.000 1.227 65 L CA 0.804 55.575 54.840 -0.116 0.000 0.900 65 L CB -0.157 41.840 42.059 -0.103 0.000 1.144 65 L HN 0.399 8.629 8.230 -0.000 0.000 0.496 66 G N 2.498 111.265 108.800 -0.055 0.000 2.189 66 G HA2 -0.309 3.652 3.960 0.001 0.000 0.267 66 G HA3 -0.309 3.652 3.960 0.001 0.000 0.267 66 G C 0.338 175.221 174.900 -0.027 0.000 0.975 66 G CA 0.074 45.154 45.100 -0.035 0.000 0.644 66 G HN 0.620 8.910 8.290 -0.000 0.000 0.537 67 K N 1.053 121.433 120.400 -0.034 0.000 2.357 67 K HA 0.533 4.854 4.320 0.001 0.000 0.251 67 K C 1.271 177.877 176.600 0.011 0.000 1.069 67 K CA 0.063 56.340 56.287 -0.017 0.000 0.994 67 K CB 1.165 33.644 32.500 -0.034 0.000 1.411 67 K HN 0.084 8.334 8.250 -0.000 0.000 0.450 68 S N 2.005 117.718 115.700 0.021 0.000 2.359 68 S HA -0.173 4.297 4.470 0.001 0.000 0.222 68 S C 1.737 176.397 174.600 0.100 0.000 1.038 68 S CA 1.438 59.667 58.200 0.048 0.000 1.051 68 S CB 0.019 63.231 63.200 0.021 0.000 0.944 68 S HN 0.534 8.844 8.310 -0.000 0.000 0.433 69 R N 0.498 121.044 120.500 0.077 0.000 2.115 69 R HA -0.026 4.314 4.340 0.001 0.000 0.230 69 R C 2.267 178.680 176.300 0.189 0.000 1.111 69 R CA 1.130 57.303 56.100 0.122 0.000 0.976 69 R CB -0.211 30.124 30.300 0.058 0.000 0.870 69 R HN 0.492 8.762 8.270 -0.000 0.000 0.445 70 E N 0.568 120.843 120.200 0.125 0.000 2.072 70 E HA -0.104 4.246 4.350 0.001 0.000 0.190 70 E C 1.925 178.618 176.600 0.156 0.000 0.982 70 E CA 0.860 57.333 56.400 0.121 0.000 0.803 70 E CB 0.015 29.737 29.700 0.037 0.000 0.755 70 E HN 0.249 8.609 8.360 -0.000 0.000 0.453 71 I N 0.375 121.021 120.570 0.127 0.000 2.226 71 I HA -0.252 3.918 4.170 0.001 0.000 0.245 71 I C 2.120 178.360 176.117 0.206 0.000 1.100 71 I CA 0.797 62.184 61.300 0.145 0.000 1.374 71 I CB -0.210 37.842 38.000 0.086 0.000 1.057 71 I HN 0.109 8.319 8.210 -0.000 0.000 0.413 72 F N 1.924 121.925 119.950 0.084 0.000 2.063 72 F HA -0.344 4.184 4.527 0.001 0.000 0.298 72 F C 2.550 178.421 175.800 0.119 0.000 1.109 72 F CA 2.161 60.213 58.000 0.087 0.000 1.212 72 F CB -0.257 38.782 39.000 0.064 0.000 0.973 72 F HN -0.140 8.160 8.300 -0.000 0.000 0.480 73 K N -1.114 119.412 120.400 0.210 0.000 2.155 73 K HA -0.178 4.142 4.320 0.001 0.000 0.203 73 K C 2.188 178.864 176.600 0.127 0.000 1.052 73 K CA 1.228 57.589 56.287 0.123 0.000 0.948 73 K CB -0.489 32.145 32.500 0.223 0.000 0.728 73 K HN 0.322 8.572 8.250 -0.000 0.000 0.448 74 F N 2.001 121.987 119.950 0.060 0.000 2.186 74 F HA -0.072 4.455 4.527 0.001 0.000 0.299 74 F C 2.057 177.906 175.800 0.082 0.000 1.090 74 F CA 1.426 59.496 58.000 0.116 0.000 1.307 74 F CB -0.110 38.993 39.000 0.172 0.000 1.019 74 F HN -0.105 8.195 8.300 -0.000 0.000 0.489 75 K N -0.002 120.389 120.400 -0.015 0.000 2.057 75 K HA -0.172 4.148 4.320 0.001 0.000 0.207 75 K C 1.906 178.438 176.600 -0.114 0.000 1.049 75 K CA 1.595 57.823 56.287 -0.098 0.000 0.931 75 K CB -0.057 32.408 32.500 -0.057 0.000 0.714 75 K HN 0.086 8.336 8.250 -0.000 0.000 0.440 76 E N 0.532 120.605 120.200 -0.212 0.000 2.153 76 E HA -0.193 4.158 4.350 0.001 0.000 0.194 76 E C 1.941 178.493 176.600 -0.082 0.000 0.988 76 E CA 1.025 57.311 56.400 -0.190 0.000 0.811 76 E CB -0.182 29.319 29.700 -0.332 0.000 0.746 76 E HN 0.239 8.599 8.360 -0.000 0.000 0.466 77 R N 0.793 121.248 120.500 -0.076 0.000 2.073 77 R HA -0.028 4.312 4.340 0.001 0.000 0.229 77 R C 2.053 178.328 176.300 -0.042 0.000 1.120 77 R CA 1.017 57.096 56.100 -0.035 0.000 0.967 77 R CB -0.702 29.604 30.300 0.010 0.000 0.862 77 R HN 0.030 8.300 8.270 -0.000 0.000 0.436 78 V N 0.924 120.763 119.914 -0.126 0.000 2.515 78 V HA -0.139 3.981 4.120 0.001 0.000 0.250 78 V C 2.176 178.417 176.094 0.246 0.000 1.058 78 V CA 1.537 63.858 62.300 0.035 0.000 1.064 78 V CB -0.395 31.392 31.823 -0.060 0.000 0.675 78 V HN 0.299 8.489 8.190 -0.000 0.000 0.461 79 L N -0.464 120.857 121.223 0.162 0.000 2.275 79 L HA -0.137 4.204 4.340 0.001 0.000 0.215 79 L C 2.458 179.351 176.870 0.037 0.000 1.119 79 L CA 0.966 55.890 54.840 0.140 0.000 0.790 79 L CB -0.377 41.720 42.059 0.064 0.000 0.919 79 L HN 0.329 8.559 8.230 -0.000 0.000 0.443 80 Q N -0.745 119.074 119.800 0.032 0.000 2.424 80 Q HA -0.054 4.286 4.340 0.001 0.000 0.204 80 Q C 2.299 178.299 176.000 -0.000 0.000 0.933 80 Q CA 1.374 57.180 55.803 0.005 0.000 0.929 80 Q CB -0.003 28.744 28.738 0.015 0.000 1.037 80 Q HN 0.608 8.878 8.270 -0.000 0.000 0.511 81 T N -1.512 113.072 114.554 0.049 0.000 2.833 81 T HA -0.057 4.294 4.350 0.001 0.000 0.269 81 T C -1.118 173.521 174.700 -0.102 0.000 1.054 81 T CA 0.582 62.708 62.100 0.043 0.000 1.135 81 T CB -1.131 67.861 68.868 0.208 0.000 0.869 81 T HN 0.069 8.309 8.240 -0.000 0.000 0.466 82 P HA -0.040 4.380 4.420 -0.000 0.000 0.218 82 P C 1.346 178.517 177.300 -0.215 0.000 1.148 82 P CA 0.918 63.790 63.100 -0.380 0.000 0.822 82 P CB -0.176 31.305 31.700 -0.365 0.000 0.784 83 N N -0.516 118.120 118.700 -0.108 0.000 2.270 83 N HA -0.106 4.635 4.740 0.001 0.000 0.181 83 N C 1.222 176.712 175.510 -0.032 0.000 1.016 83 N CA 1.222 54.247 53.050 -0.042 0.000 0.870 83 N CB -0.796 37.678 38.487 -0.021 0.000 0.979 83 N HN 0.196 8.576 8.380 -0.000 0.000 0.431 84 D N 0.634 121.011 120.400 -0.039 0.000 2.144 84 D HA -0.027 4.614 4.640 0.001 0.000 0.200 84 D C 2.037 178.335 176.300 -0.004 0.000 0.978 84 D CA 0.533 54.531 54.000 -0.003 0.000 0.833 84 D CB -0.073 40.743 40.800 0.026 0.000 0.961 84 D HN 0.157 8.527 8.370 -0.000 0.000 0.470 85 L N -0.110 121.056 121.223 -0.096 0.000 2.027 85 L HA -0.117 4.223 4.340 0.001 0.000 0.206 85 L C 2.230 179.188 176.870 0.146 0.000 1.074 85 L CA 0.507 55.322 54.840 -0.041 0.000 0.745 85 L CB -0.328 41.355 42.059 -0.627 0.000 0.898 85 L HN 0.115 8.345 8.230 -0.000 0.000 0.433 86 L N 0.116 121.381 121.223 0.069 0.000 2.017 86 L HA -0.154 4.187 4.340 0.001 0.000 0.208 86 L C 2.630 179.546 176.870 0.077 0.000 1.073 86 L CA 1.936 56.869 54.840 0.155 0.000 0.745 86 L CB -0.592 41.555 42.059 0.147 0.000 0.894 86 L HN 0.164 8.394 8.230 -0.000 0.000 0.432 87 A N -0.725 122.118 122.820 0.037 0.000 2.019 87 A HA -0.084 4.236 4.320 0.001 0.000 0.219 87 A C 2.282 179.860 177.584 -0.010 0.000 1.164 87 A CA 1.519 53.563 52.037 0.012 0.000 0.644 87 A CB -0.971 18.031 19.000 0.003 0.000 0.805 87 A HN 0.538 8.688 8.150 -0.000 0.000 0.449 88 A N -2.176 120.641 122.820 -0.004 0.000 2.208 88 A HA 0.411 4.731 4.320 0.001 0.000 0.209 88 A C 1.752 179.200 177.584 -0.226 0.000 1.161 88 A CA 1.291 53.280 52.037 -0.081 0.000 0.782 88 A CB -0.634 18.357 19.000 -0.015 0.000 0.816 88 A HN 1.796 9.946 8.150 -0.000 0.000 0.477 89 G N -2.374 106.338 108.800 -0.146 0.000 2.184 89 G HA2 -0.175 3.786 3.960 0.001 0.000 0.206 89 G HA3 -0.175 3.786 3.960 0.001 0.000 0.206 89 G C -0.078 174.728 174.900 -0.158 0.000 0.995 89 G CA -0.157 44.830 45.100 -0.188 0.000 0.651 89 G HN 0.266 8.556 8.290 -0.000 0.000 0.511 90 F N 2.188 122.206 119.950 0.112 0.000 2.384 90 F HA 0.516 5.043 4.527 0.001 0.000 0.338 90 F C 0.989 176.952 175.800 0.272 0.000 1.103 90 F CA -0.543 57.575 58.000 0.197 0.000 1.157 90 F CB 0.801 39.955 39.000 0.257 0.000 1.167 90 F HN -0.001 8.299 8.300 -0.000 0.000 0.529 91 E N 2.243 122.667 120.200 0.374 0.000 2.283 91 E HA 0.002 4.352 4.350 0.001 0.000 0.278 91 E C 0.938 177.517 176.600 -0.034 0.000 1.027 91 E CA -0.316 56.205 56.400 0.201 0.000 0.843 91 E CB 1.213 30.998 29.700 0.141 0.000 1.062 91 E HN 0.645 9.005 8.360 -0.000 0.000 0.401 92 E N 2.993 123.060 120.200 -0.222 0.000 2.130 92 E HA -0.308 4.042 4.350 0.001 0.000 0.196 92 E C 1.633 177.784 176.600 -0.748 0.000 0.998 92 E CA 1.570 57.448 56.400 -0.870 0.000 0.806 92 E CB -0.029 29.515 29.700 -0.261 0.000 0.738 92 E HN 0.594 8.954 8.360 -0.000 0.000 0.459 93 H N 0.988 119.830 119.070 -0.379 0.000 2.289 93 H HA -0.112 4.444 4.556 0.001 0.000 0.296 93 H C 2.135 177.322 175.328 -0.236 0.000 1.091 93 H CA 2.630 58.535 56.048 -0.238 0.000 1.274 93 H CB -0.114 29.577 29.762 -0.118 0.000 1.364 93 H HN 0.052 8.332 8.280 -0.000 0.000 0.490 94 K N -0.717 119.486 120.400 -0.329 0.000 2.228 94 K HA -0.054 4.267 4.320 0.001 0.000 0.202 94 K C 1.466 178.055 176.600 -0.017 0.000 1.051 94 K CA 1.120 57.281 56.287 -0.211 0.000 0.960 94 K CB -0.026 32.504 32.500 0.050 0.000 0.743 94 K HN 0.452 8.702 8.250 -0.000 0.000 0.458 95 F N -1.107 118.902 119.950 0.099 0.000 2.746 95 F HA 0.326 4.854 4.527 0.001 0.000 0.297 95 F C 1.676 177.589 175.800 0.188 0.000 1.113 95 F CA -0.478 57.662 58.000 0.234 0.000 1.367 95 F CB -0.456 38.636 39.000 0.152 0.000 1.111 95 F HN -0.199 8.101 8.300 -0.000 0.000 0.590 96 R N 1.146 121.548 120.500 -0.164 0.000 2.119 96 R HA -0.202 4.138 4.340 0.001 0.000 0.246 96 R C 1.488 177.816 176.300 0.047 0.000 1.146 96 R CA 2.174 58.262 56.100 -0.020 0.000 0.962 96 R CB -0.363 29.829 30.300 -0.180 0.000 0.863 96 R HN 0.288 8.558 8.270 -0.000 0.000 0.442 97 N N -0.501 118.069 118.700 -0.217 0.000 2.354 97 N HA -0.089 4.651 4.740 0.001 0.000 0.179 97 N C 1.423 176.837 175.510 -0.160 0.000 1.021 97 N CA 1.019 53.906 53.050 -0.272 0.000 0.887 97 N CB -0.154 38.037 38.487 -0.492 0.000 0.974 97 N HN 0.174 8.554 8.380 -0.000 0.000 0.437 98 F N 0.028 120.133 119.950 0.258 0.000 2.187 98 F HA 0.058 4.585 4.527 0.000 0.000 0.295 98 F C 2.152 178.071 175.800 0.199 0.000 1.091 98 F CA 0.111 58.281 58.000 0.283 0.000 1.308 98 F CB -1.060 38.109 39.000 0.283 0.000 1.030 98 F HN -0.068 8.232 8.300 -0.000 0.000 0.487 99 F N 1.804 121.935 119.950 0.302 0.000 2.095 99 F HA -0.246 4.282 4.527 0.000 0.000 0.298 99 F C 2.216 177.986 175.800 -0.050 0.000 1.104 99 F CA 1.720 59.705 58.000 -0.025 0.000 1.232 99 F CB -0.671 38.470 39.000 0.234 0.000 0.987 99 F HN -0.138 8.162 8.300 -0.000 0.000 0.475 100 N N 0.946 119.624 118.700 -0.037 0.000 2.094 100 N HA -0.207 4.534 4.740 0.001 0.000 0.191 100 N C 2.003 177.396 175.510 -0.195 0.000 1.023 100 N CA 1.722 54.693 53.050 -0.132 0.000 0.857 100 N CB -0.964 37.521 38.487 -0.004 0.000 1.013 100 N HN 0.469 8.849 8.380 -0.000 0.000 0.426 101 A N 0.077 122.822 122.820 -0.125 0.000 1.930 101 A HA -0.073 4.248 4.320 0.001 0.000 0.217 101 A C 2.115 179.593 177.584 -0.177 0.000 1.175 101 A CA 0.712 52.676 52.037 -0.122 0.000 0.627 101 A CB -0.781 18.209 19.000 -0.017 0.000 0.815 101 A HN 0.258 8.408 8.150 -0.000 0.000 0.443 102 F N -1.149 118.561 119.950 -0.400 0.000 2.113 102 F HA -0.149 4.378 4.527 0.000 0.000 0.297 102 F C 2.135 177.678 175.800 -0.428 0.000 1.103 102 F CA 1.876 59.600 58.000 -0.460 0.000 1.248 102 F CB -0.505 37.978 39.000 -0.862 0.000 0.999 102 F HN 0.363 8.663 8.300 -0.000 0.000 0.475 103 Y N 0.317 120.222 120.300 -0.658 0.000 2.256 103 Y HA -0.243 4.308 4.550 0.001 0.000 0.288 103 Y C 2.831 178.499 175.900 -0.386 0.000 1.155 103 Y CA 1.699 59.447 58.100 -0.586 0.000 1.203 103 Y CB -0.795 37.206 38.460 -0.765 0.000 0.980 103 Y HN 0.199 8.479 8.280 -0.000 0.000 0.530 104 S N -1.353 114.168 115.700 -0.299 0.000 2.402 104 S HA -0.144 4.327 4.470 0.001 0.000 0.229 104 S C 2.119 176.533 174.600 -0.310 0.000 1.021 104 S CA 1.199 59.249 58.200 -0.249 0.000 0.974 104 S CB -0.869 62.246 63.200 -0.142 0.000 0.800 104 S HN 0.317 8.627 8.310 -0.000 0.000 0.484 105 V N 1.166 120.855 119.914 -0.375 0.000 2.453 105 V HA -0.045 4.075 4.120 0.001 0.000 0.247 105 V C 2.424 178.302 176.094 -0.359 0.000 1.048 105 V CA 1.651 63.753 62.300 -0.331 0.000 1.049 105 V CB -0.287 31.348 31.823 -0.314 0.000 0.672 105 V HN 0.501 8.691 8.190 -0.000 0.000 0.457 106 V N -0.190 119.410 119.914 -0.523 0.000 2.343 106 V HA -0.251 3.869 4.120 0.001 0.000 0.247 106 V C 2.413 178.283 176.094 -0.374 0.000 1.051 106 V CA 2.358 64.411 62.300 -0.413 0.000 1.036 106 V CB -0.625 30.908 31.823 -0.483 0.000 0.654 106 V HN 0.617 8.807 8.190 -0.000 0.000 0.451 107 E N -0.240 119.656 120.200 -0.506 0.000 2.110 107 E HA -0.237 4.113 4.350 0.001 0.000 0.193 107 E C 2.208 178.701 176.600 -0.178 0.000 0.988 107 E CA 1.360 57.567 56.400 -0.321 0.000 0.804 107 E CB -0.174 29.357 29.700 -0.281 0.000 0.745 107 E HN 0.578 8.938 8.360 -0.000 0.000 0.458 108 L N 0.686 121.806 121.223 -0.171 0.000 2.012 108 L HA -0.213 4.127 4.340 0.001 0.000 0.210 108 L C 2.336 179.152 176.870 -0.091 0.000 1.073 108 L CA 1.161 55.936 54.840 -0.108 0.000 0.748 108 L CB -0.234 41.769 42.059 -0.093 0.000 0.891 108 L HN -0.019 8.211 8.230 -0.000 0.000 0.431 109 V N 0.292 120.140 119.914 -0.109 0.000 2.282 109 V HA -0.356 3.764 4.120 0.001 0.000 0.249 109 V C 2.559 178.609 176.094 -0.074 0.000 1.057 109 V CA 2.396 64.639 62.300 -0.095 0.000 1.032 109 V CB -0.669 31.086 31.823 -0.112 0.000 0.645 109 V HN 0.600 8.790 8.190 -0.000 0.000 0.447 110 E N -0.506 119.648 120.200 -0.076 0.000 2.106 110 E HA -0.204 4.146 4.350 0.001 0.000 0.192 110 E C 2.171 178.753 176.600 -0.031 0.000 0.984 110 E CA 1.270 57.645 56.400 -0.041 0.000 0.806 110 E CB 0.091 29.766 29.700 -0.042 0.000 0.750 110 E HN 0.564 8.924 8.360 -0.000 0.000 0.458 111 K N -0.574 119.801 120.400 -0.042 0.000 2.350 111 K HA -0.003 4.317 4.320 0.001 0.000 0.196 111 K C 1.682 178.267 176.600 -0.026 0.000 1.084 111 K CA 0.537 56.808 56.287 -0.027 0.000 0.967 111 K CB 0.301 32.784 32.500 -0.029 0.000 0.950 111 K HN 0.030 8.280 8.250 -0.000 0.000 0.512 112 D N -0.173 120.207 120.400 -0.034 0.000 2.214 112 D HA -0.056 4.584 4.640 0.001 0.000 0.217 112 D C 1.221 177.506 176.300 -0.026 0.000 0.973 112 D CA 1.858 55.842 54.000 -0.027 0.000 0.880 112 D CB 0.460 41.243 40.800 -0.029 0.000 1.031 112 D HN 0.269 8.639 8.370 -0.000 0.000 0.468 113 G N 0.514 109.294 108.800 -0.034 0.000 2.176 113 G HA2 -0.228 3.733 3.960 0.001 0.000 0.253 113 G HA3 -0.228 3.733 3.960 0.001 0.000 0.253 113 G C 0.280 175.160 174.900 -0.033 0.000 0.979 113 G CA 0.893 45.970 45.100 -0.037 0.000 0.641 113 G HN 0.777 9.067 8.290 -0.000 0.000 0.530 114 S N -0.691 114.996 115.700 -0.022 0.000 2.525 114 S HA 0.685 5.156 4.470 0.001 0.000 0.290 114 S C 1.362 175.965 174.600 0.004 0.000 1.152 114 S CA 0.086 58.279 58.200 -0.011 0.000 1.072 114 S CB 2.423 65.621 63.200 -0.005 0.000 1.027 114 S HN 0.687 8.997 8.310 -0.000 0.000 0.500 115 V N 3.473 123.393 119.914 0.010 0.000 2.343 115 V HA -0.166 3.954 4.120 0.001 0.000 0.247 115 V C 2.839 178.980 176.094 0.078 0.000 1.051 115 V CA 2.421 64.749 62.300 0.046 0.000 1.036 115 V CB -1.341 30.508 31.823 0.043 0.000 0.654 115 V HN 1.041 9.231 8.190 -0.000 0.000 0.451 116 S N -0.459 115.269 115.700 0.046 0.000 2.382 116 S HA -0.195 4.275 4.470 0.001 0.000 0.228 116 S C 2.062 176.696 174.600 0.057 0.000 1.027 116 S CA 1.620 59.848 58.200 0.046 0.000 0.991 116 S CB -0.570 62.643 63.200 0.022 0.000 0.823 116 S HN 0.492 8.802 8.310 -0.000 0.000 0.469 117 S N 1.793 117.520 115.700 0.045 0.000 2.399 117 S HA 0.059 4.529 4.470 0.001 0.000 0.231 117 S C 1.714 176.367 174.600 0.087 0.000 1.022 117 S CA 0.992 59.218 58.200 0.044 0.000 0.983 117 S CB -0.547 62.664 63.200 0.019 0.000 0.803 117 S HN 0.398 8.708 8.310 -0.000 0.000 0.480 118 L N 1.301 122.600 121.223 0.127 0.000 2.017 118 L HA 0.025 4.366 4.340 0.001 0.000 0.208 118 L C 1.969 179.080 176.870 0.401 0.000 1.073 118 L CA 1.526 56.513 54.840 0.245 0.000 0.745 118 L CB -0.674 41.496 42.059 0.185 0.000 0.894 118 L HN 0.222 8.452 8.230 -0.000 0.000 0.432 119 L N -0.321 121.087 121.223 0.309 0.000 2.141 119 L HA -0.164 4.176 4.340 0.001 0.000 0.209 119 L C 2.507 179.455 176.870 0.130 0.000 1.094 119 L CA 1.621 56.574 54.840 0.188 0.000 0.763 119 L CB -0.955 41.146 42.059 0.069 0.000 0.908 119 L HN 0.364 8.594 8.230 -0.000 0.000 0.437 120 K N -1.131 119.333 120.400 0.107 0.000 2.057 120 K HA -0.132 4.188 4.320 0.001 0.000 0.207 120 K C 1.925 178.563 176.600 0.063 0.000 1.049 120 K CA 1.606 57.931 56.287 0.064 0.000 0.931 120 K CB 0.018 32.542 32.500 0.039 0.000 0.714 120 K HN 0.217 8.467 8.250 -0.000 0.000 0.440 121 V N 0.709 120.673 119.914 0.083 0.000 2.343 121 V HA -0.216 3.904 4.120 0.001 0.000 0.247 121 V C 1.953 178.020 176.094 -0.044 0.000 1.051 121 V CA 1.687 63.983 62.300 -0.007 0.000 1.036 121 V CB -0.516 31.275 31.823 -0.054 0.000 0.654 121 V HN 0.245 8.435 8.190 -0.000 0.000 0.451 122 F N 0.215 120.191 119.950 0.043 0.000 2.502 122 F HA 0.013 4.541 4.527 0.001 0.000 0.298 122 F C 2.051 177.848 175.800 -0.006 0.000 1.111 122 F CA 0.842 58.865 58.000 0.039 0.000 1.445 122 F CB -0.144 38.893 39.000 0.061 0.000 1.081 122 F HN 0.193 8.493 8.300 -0.000 0.000 0.558 123 N N -0.320 118.449 118.700 0.114 0.000 2.280 123 N HA -0.051 4.689 4.740 0.001 0.000 0.192 123 N C -0.255 175.273 175.510 0.031 0.000 1.109 123 N CA 0.308 53.391 53.050 0.055 0.000 0.855 123 N CB -0.109 38.395 38.487 0.028 0.000 0.974 123 N HN 0.136 8.516 8.380 -0.000 0.000 0.482 124 D N 0.805 121.214 120.400 0.014 0.000 2.347 124 D HA 0.039 4.679 4.640 0.001 0.000 0.235 124 D C 1.212 177.516 176.300 0.008 0.000 1.149 124 D CA -0.227 53.774 54.000 0.001 0.000 0.850 124 D CB 1.380 42.168 40.800 -0.020 0.000 1.061 124 D HN -0.143 8.227 8.370 -0.000 0.000 0.487 125 Q N 2.729 122.543 119.800 0.023 0.000 2.062 125 Q HA -0.231 4.110 4.340 0.001 0.000 0.209 125 Q C 1.690 177.723 176.000 0.055 0.000 0.996 125 Q CA 2.405 58.230 55.803 0.037 0.000 0.859 125 Q CB -0.397 28.364 28.738 0.037 0.000 0.920 125 Q HN 0.493 8.763 8.270 -0.000 0.000 0.415 126 S N -1.218 114.517 115.700 0.058 0.000 2.345 126 S HA -0.104 4.366 4.470 0.001 0.000 0.220 126 S C 1.912 176.603 174.600 0.151 0.000 1.031 126 S CA 1.394 59.663 58.200 0.116 0.000 0.996 126 S CB -0.636 62.607 63.200 0.071 0.000 0.882 126 S HN 0.560 8.870 8.310 -0.000 0.000 0.445 127 A N 0.230 123.051 122.820 0.002 0.000 1.969 127 A HA -0.002 4.319 4.320 0.001 0.000 0.218 127 A C 2.410 179.964 177.584 -0.049 0.000 1.169 127 A CA 2.002 53.998 52.037 -0.069 0.000 0.635 127 A CB -1.203 17.717 19.000 -0.133 0.000 0.810 127 A HN 0.571 8.721 8.150 -0.000 0.000 0.445 128 S N -0.503 115.158 115.700 -0.065 0.000 2.371 128 S HA -0.141 4.329 4.470 0.001 0.000 0.224 128 S C 1.639 176.245 174.600 0.011 0.000 1.029 128 S CA 1.458 59.587 58.200 -0.117 0.000 0.978 128 S CB -0.410 62.762 63.200 -0.047 0.000 0.833 128 S HN 0.562 8.872 8.310 -0.000 0.000 0.466 129 D N 0.160 120.604 120.400 0.073 0.000 2.178 129 D HA -0.046 4.595 4.640 0.001 0.000 0.202 129 D C 1.676 178.008 176.300 0.054 0.000 0.974 129 D CA 1.044 55.076 54.000 0.054 0.000 0.841 129 D CB -0.477 40.346 40.800 0.038 0.000 0.953 129 D HN 0.519 8.889 8.370 -0.000 0.000 0.478 130 H N 0.088 119.211 119.070 0.089 0.000 2.387 130 H HA 0.011 4.567 4.556 0.001 0.000 0.299 130 H C 2.172 177.629 175.328 0.214 0.000 1.090 130 H CA 0.808 56.996 56.048 0.233 0.000 1.332 130 H CB -0.149 29.753 29.762 0.234 0.000 1.386 130 H HN 0.139 8.419 8.280 -0.000 0.000 0.516 131 I N -0.621 120.100 120.570 0.252 0.000 2.179 131 I HA -0.263 3.907 4.170 0.001 0.000 0.242 131 I C 2.096 178.357 176.117 0.239 0.000 1.088 131 I CA 0.897 62.355 61.300 0.262 0.000 1.357 131 I CB -0.226 37.789 38.000 0.024 0.000 1.051 131 I HN 0.092 8.302 8.210 -0.000 0.000 0.409 132 V N 0.455 120.437 119.914 0.113 0.000 2.287 132 V HA -0.345 3.775 4.120 0.001 0.000 0.248 132 V C 2.468 178.452 176.094 -0.183 0.000 1.053 132 V CA 2.269 64.572 62.300 0.005 0.000 1.027 132 V CB -0.720 31.098 31.823 -0.009 0.000 0.646 132 V HN 0.467 8.657 8.190 -0.000 0.000 0.447 133 Q N -0.348 119.313 119.800 -0.230 0.000 2.084 133 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 133 Q C 1.909 177.669 176.000 -0.400 0.000 0.978 133 Q CA 2.003 57.510 55.803 -0.493 0.000 0.844 133 Q CB -0.586 27.628 28.738 -0.873 0.000 0.898 133 Q HN 0.577 8.847 8.270 -0.000 0.000 0.426 134 F N 0.310 120.118 119.950 -0.236 0.000 2.065 134 F HA -0.221 4.306 4.527 0.000 0.000 0.298 134 F C 1.581 177.244 175.800 -0.229 0.000 1.112 134 F CA 1.758 59.688 58.000 -0.118 0.000 1.212 134 F CB -0.443 38.576 39.000 0.031 0.000 0.975 134 F HN 0.147 8.447 8.300 -0.000 0.000 0.476 135 L N -0.213 120.861 121.223 -0.249 0.000 2.083 135 L HA -0.208 4.132 4.340 0.001 0.000 0.209 135 L C 2.651 179.314 176.870 -0.344 0.000 1.083 135 L CA 1.394 56.051 54.840 -0.305 0.000 0.752 135 L CB -0.642 41.420 42.059 0.004 0.000 0.899 135 L HN 0.104 8.334 8.230 -0.000 0.000 0.433 136 R N -0.075 120.118 120.500 -0.513 0.000 2.075 136 R HA -0.101 4.239 4.340 0.001 0.000 0.232 136 R C 2.289 178.345 176.300 -0.407 0.000 1.126 136 R CA 1.104 56.866 56.100 -0.563 0.000 0.963 136 R CB -0.305 29.583 30.300 -0.686 0.000 0.858 136 R HN 0.318 8.588 8.270 -0.000 0.000 0.435 137 L N 0.363 121.288 121.223 -0.496 0.000 2.109 137 L HA -0.148 4.192 4.340 0.001 0.000 0.207 137 L C 2.356 178.939 176.870 -0.479 0.000 1.086 137 L CA 0.496 54.993 54.840 -0.571 0.000 0.760 137 L CB -0.359 41.294 42.059 -0.677 0.000 0.910 137 L HN 0.179 8.409 8.230 -0.000 0.000 0.437 138 L N -0.439 120.442 121.223 -0.570 0.000 2.046 138 L HA -0.182 4.158 4.340 0.001 0.000 0.208 138 L C 2.426 179.197 176.870 -0.165 0.000 1.077 138 L CA 2.034 56.603 54.840 -0.452 0.000 0.747 138 L CB -0.713 40.938 42.059 -0.680 0.000 0.896 138 L HN 0.128 8.358 8.230 -0.000 0.000 0.432 139 T N -1.406 113.066 114.554 -0.137 0.000 2.708 139 T HA -0.210 4.140 4.350 0.001 0.000 0.266 139 T C 2.066 176.789 174.700 0.038 0.000 1.037 139 T CA 1.684 63.777 62.100 -0.011 0.000 1.146 139 T CB -0.464 68.451 68.868 0.079 0.000 0.865 139 T HN 0.489 8.729 8.240 -0.000 0.000 0.435 140 S N 0.912 116.622 115.700 0.016 0.000 2.356 140 S HA -0.097 4.373 4.470 0.001 0.000 0.223 140 S C 2.426 177.135 174.600 0.182 0.000 1.032 140 S CA 1.420 59.679 58.200 0.099 0.000 1.005 140 S CB -0.632 62.659 63.200 0.151 0.000 0.867 140 S HN 0.510 8.820 8.310 -0.000 0.000 0.449 141 A N 0.553 123.523 122.820 0.250 0.000 1.892 141 A HA -0.089 4.231 4.320 0.001 0.000 0.218 141 A C 2.035 179.703 177.584 0.141 0.000 1.188 141 A CA 1.878 54.061 52.037 0.243 0.000 0.631 141 A CB -1.191 17.930 19.000 0.201 0.000 0.822 141 A HN 0.693 8.843 8.150 -0.000 0.000 0.447 142 F N 0.434 120.387 119.950 0.005 0.000 2.146 142 F HA -0.109 4.419 4.527 0.001 0.000 0.298 142 F C 1.972 177.794 175.800 0.036 0.000 1.096 142 F CA 1.551 59.566 58.000 0.024 0.000 1.275 142 F CB -0.179 38.826 39.000 0.008 0.000 1.008 142 F HN 0.187 8.487 8.300 -0.000 0.000 0.480 143 I N 0.209 120.794 120.570 0.025 0.000 2.127 143 I HA -0.356 3.814 4.170 0.001 0.000 0.241 143 I C 2.529 178.646 176.117 -0.000 0.000 1.075 143 I CA 1.707 62.897 61.300 -0.184 0.000 1.334 143 I CB -0.549 37.294 38.000 -0.263 0.000 1.040 143 I HN 0.047 8.257 8.210 -0.000 0.000 0.405 144 R N 0.590 121.096 120.500 0.010 0.000 2.081 144 R HA -0.125 4.215 4.340 0.001 0.000 0.235 144 R C 1.977 178.270 176.300 -0.012 0.000 1.131 144 R CA 1.450 57.553 56.100 0.005 0.000 0.960 144 R CB -0.369 29.914 30.300 -0.028 0.000 0.856 144 R HN 0.386 8.656 8.270 -0.000 0.000 0.436 145 N N 0.408 119.082 118.700 -0.044 0.000 2.459 145 N HA -0.067 4.673 4.740 0.001 0.000 0.181 145 N C 0.432 175.892 175.510 -0.083 0.000 1.046 145 N CA 0.860 53.866 53.050 -0.073 0.000 0.904 145 N CB 0.224 38.651 38.487 -0.100 0.000 0.964 145 N HN 0.137 8.517 8.380 -0.000 0.000 0.444 146 R N 0.128 120.599 120.500 -0.049 0.000 2.865 146 R HA 0.356 4.696 4.340 0.001 0.000 0.370 146 R C 0.660 177.094 176.300 0.222 0.000 1.168 146 R CA -0.186 55.945 56.100 0.051 0.000 1.058 146 R CB 0.508 30.803 30.300 -0.008 0.000 1.419 146 R HN 0.022 8.292 8.270 -0.000 0.000 0.580 147 A N 1.587 124.478 122.820 0.119 0.000 2.019 147 A HA -0.193 4.127 4.320 0.001 0.000 0.219 147 A C 1.843 179.441 177.584 0.023 0.000 1.164 147 A CA 1.675 53.773 52.037 0.103 0.000 0.644 147 A CB -0.143 18.879 19.000 0.036 0.000 0.805 147 A HN 0.481 8.631 8.150 -0.000 0.000 0.449 148 D N -1.410 118.998 120.400 0.014 0.000 2.224 148 D HA -0.159 4.482 4.640 0.001 0.000 0.205 148 D C 1.683 177.917 176.300 -0.109 0.000 0.965 148 D CA 1.037 55.009 54.000 -0.047 0.000 0.852 148 D CB -0.365 40.446 40.800 0.018 0.000 0.947 148 D HN 0.439 8.809 8.370 -0.000 0.000 0.494 149 F N 0.660 120.513 119.950 -0.162 0.000 2.147 149 F HA 0.104 4.631 4.527 0.001 0.000 0.291 149 F C 1.819 177.475 175.800 -0.240 0.000 1.093 149 F CA 0.619 58.496 58.000 -0.206 0.000 1.263 149 F CB -0.385 38.455 39.000 -0.267 0.000 1.036 149 F HN -0.254 8.046 8.300 -0.000 0.000 0.481 150 F N 1.732 121.604 119.950 -0.130 0.000 2.456 150 F HA 0.016 4.543 4.527 0.000 0.000 0.298 150 F C 2.512 178.225 175.800 -0.144 0.000 1.104 150 F CA 1.077 59.035 58.000 -0.070 0.000 1.435 150 F CB -0.656 38.366 39.000 0.037 0.000 1.078 150 F HN 0.002 8.302 8.300 -0.000 0.000 0.546 151 R N -0.117 120.298 120.500 -0.142 0.000 2.152 151 R HA -0.178 4.162 4.340 0.001 0.000 0.232 151 R C 1.375 177.487 176.300 -0.313 0.000 1.117 151 R CA 1.780 57.748 56.100 -0.220 0.000 0.981 151 R CB -1.197 28.954 30.300 -0.248 0.000 0.870 151 R HN 0.274 8.544 8.270 -0.000 0.000 0.451 152 H N -0.273 118.624 119.070 -0.287 0.000 2.560 152 H HA -0.057 4.499 4.556 0.000 0.000 0.283 152 H C 0.726 175.706 175.328 -0.580 0.000 1.028 152 H CA 0.777 56.546 56.048 -0.465 0.000 1.221 152 H CB -0.150 29.223 29.762 -0.649 0.000 1.363 152 H HN 0.304 8.584 8.280 -0.000 0.000 0.594 153 F N 0.297 120.183 119.950 -0.108 0.000 2.727 153 F HA 0.192 4.719 4.527 0.000 0.000 0.302 153 F C 1.373 177.153 175.800 -0.034 0.000 1.097 153 F CA -0.139 57.843 58.000 -0.030 0.000 1.330 153 F CB 0.425 39.407 39.000 -0.029 0.000 1.084 153 F HN 0.013 8.313 8.300 -0.000 0.000 0.578 154 I N -3.826 116.770 120.570 0.043 0.000 3.294 154 I HA 0.521 4.691 4.170 0.001 0.000 0.311 154 I C -0.640 175.484 176.117 0.013 0.000 1.111 154 I CA -1.284 60.024 61.300 0.014 0.000 0.976 154 I CB 1.207 39.163 38.000 -0.073 0.000 1.260 154 I HN -0.314 7.896 8.210 -0.000 0.000 0.474 155 D N 1.271 121.686 120.400 0.024 0.000 2.455 155 D HA 0.018 4.659 4.640 0.001 0.000 0.241 155 D C 0.722 177.026 176.300 0.007 0.000 1.138 155 D CA 0.323 54.334 54.000 0.018 0.000 0.877 155 D CB 1.148 41.962 40.800 0.023 0.000 1.187 155 D HN 0.569 8.939 8.370 -0.000 0.000 0.451 156 E N 1.217 121.420 120.200 0.004 0.000 2.209 156 E HA -0.102 4.249 4.350 0.001 0.000 0.196 156 E C 0.538 177.139 176.600 0.003 0.000 0.993 156 E CA 0.868 57.269 56.400 0.001 0.000 0.819 156 E CB 0.070 29.773 29.700 0.005 0.000 0.745 156 E HN 0.433 8.793 8.360 -0.000 0.000 0.477 160 I N 3.837 124.451 120.570 0.073 0.000 2.300 160 I HA -0.239 3.931 4.170 0.001 0.000 0.252 160 I C 1.952 178.165 176.117 0.160 0.000 1.119 160 I CA 1.720 63.081 61.300 0.102 0.000 1.384 160 I CB -0.237 37.792 38.000 0.048 0.000 1.062 160 I HN 0.480 8.690 8.210 -0.000 0.000 0.426 161 K N -0.214 120.249 120.400 0.106 0.000 2.097 161 K HA -0.162 4.159 4.320 0.001 0.000 0.205 161 K C 1.721 178.393 176.600 0.121 0.000 1.050 161 K CA 1.445 57.782 56.287 0.083 0.000 0.938 161 K CB -0.192 32.331 32.500 0.038 0.000 0.718 161 K HN 0.329 8.579 8.250 -0.000 0.000 0.442 162 D N 0.606 121.107 120.400 0.169 0.000 2.117 162 D HA -0.142 4.499 4.640 0.001 0.000 0.198 162 D C 1.624 178.100 176.300 0.293 0.000 0.982 162 D CA 0.790 54.946 54.000 0.259 0.000 0.828 162 D CB -0.280 40.641 40.800 0.202 0.000 0.967 162 D HN 0.059 8.429 8.370 -0.000 0.000 0.464 163 F N 1.333 121.348 119.950 0.109 0.000 2.091 163 F HA -0.293 4.234 4.527 0.000 0.000 0.299 163 F C 2.311 178.150 175.800 0.065 0.000 1.103 163 F CA 1.361 59.412 58.000 0.085 0.000 1.228 163 F CB -0.234 38.797 39.000 0.051 0.000 0.984 163 F HN -0.003 8.297 8.300 -0.000 0.000 0.477 164 C N -0.326 119.059 119.300 0.142 0.000 2.446 164 C HA -0.145 4.315 4.460 0.001 0.000 0.277 164 C C 2.704 177.652 174.990 -0.069 0.000 1.275 164 C CA 1.687 60.720 59.018 0.026 0.000 1.727 164 C CB -1.404 26.395 27.740 0.098 0.000 2.010 164 C HN 0.549 8.779 8.230 -0.000 0.000 0.486 165 T N -0.654 113.858 114.554 -0.069 0.000 2.788 165 T HA -0.130 4.220 4.350 0.001 0.000 0.268 165 T C 1.501 175.967 174.700 -0.390 0.000 1.044 165 T CA 1.365 63.329 62.100 -0.227 0.000 1.139 165 T CB -0.310 68.371 68.868 -0.313 0.000 0.867 165 T HN 0.657 8.897 8.240 -0.000 0.000 0.454 166 H N -0.162 118.846 119.070 -0.103 0.000 2.654 166 H HA 0.249 4.805 4.556 0.001 0.000 0.264 166 H C 1.422 176.635 175.328 -0.192 0.000 0.954 166 H CA 0.544 56.520 56.048 -0.119 0.000 1.199 166 H CB 0.709 30.425 29.762 -0.078 0.000 1.446 166 H HN 0.312 8.592 8.280 -0.000 0.000 0.516 167 E N 0.466 120.510 120.200 -0.260 0.000 2.572 167 E HA 0.134 4.485 4.350 0.001 0.000 0.220 167 E C 1.399 177.788 176.600 -0.351 0.000 0.945 167 E CA 0.170 56.338 56.400 -0.387 0.000 1.070 167 E CB 1.384 30.568 29.700 -0.859 0.000 1.090 167 E HN 0.154 8.514 8.360 -0.000 0.000 0.506 168 V N 0.242 119.980 119.914 -0.294 0.000 3.054 168 V HA 0.028 4.149 4.120 0.001 0.000 0.227 168 V C 1.879 177.859 176.094 -0.189 0.000 1.252 168 V CA 0.496 62.693 62.300 -0.171 0.000 1.279 168 V CB -0.052 31.703 31.823 -0.113 0.000 1.118 168 V HN 0.007 8.197 8.190 -0.000 0.000 0.504 169 E N 1.082 121.176 120.200 -0.177 0.000 2.077 169 E HA -0.061 4.289 4.350 0.001 0.000 0.193 169 E C -1.529 174.930 176.600 -0.236 0.000 0.989 169 E CA 0.911 57.187 56.400 -0.207 0.000 0.800 169 E CB -1.020 28.603 29.700 -0.129 0.000 0.746 169 E HN 0.534 8.894 8.360 -0.000 0.000 0.452 173 T N -0.308 114.258 114.554 0.020 0.000 2.771 173 T HA 0.587 4.938 4.350 0.001 0.000 0.281 173 T C -0.162 174.597 174.700 0.098 0.000 0.982 173 T CA -0.198 61.922 62.100 0.033 0.000 0.978 173 T CB 1.178 70.035 68.868 -0.020 0.000 0.930 173 T HN 0.578 8.818 8.240 -0.000 0.000 0.447 174 E N 1.612 121.874 120.200 0.104 0.000 2.398 174 E HA 0.355 4.705 4.350 0.001 0.000 0.263 174 E C 0.562 177.247 176.600 0.141 0.000 1.046 174 E CA -1.199 55.289 56.400 0.147 0.000 0.908 174 E CB 0.254 30.041 29.700 0.145 0.000 0.963 174 E HN 0.881 9.241 8.360 -0.000 0.000 0.431 175 C N 1.682 121.068 119.300 0.143 0.000 2.396 175 C HA 0.712 5.172 4.460 0.001 0.000 0.359 175 C C 0.015 175.034 174.990 0.048 0.000 1.307 175 C CA -0.300 58.732 59.018 0.022 0.000 2.392 175 C CB 0.893 28.486 27.740 -0.246 0.000 2.245 175 C HN 0.987 9.217 8.230 -0.000 0.000 0.615 176 D N -2.177 118.213 120.400 -0.017 0.000 2.921 176 D HA 0.227 4.867 4.640 0.001 0.000 0.329 176 D C 0.691 176.961 176.300 -0.050 0.000 1.293 176 D CA 0.034 54.069 54.000 0.059 0.000 0.964 176 D CB 0.223 41.117 40.800 0.157 0.000 1.435 176 D HN 0.846 9.216 8.370 -0.000 0.000 0.548 177 H N -0.294 118.795 119.070 0.032 0.000 2.421 177 H HA 0.127 4.684 4.556 0.000 0.000 0.298 177 H C 1.887 177.210 175.328 -0.008 0.000 1.087 177 H CA 1.617 57.709 56.048 0.074 0.000 1.330 177 H CB -0.309 29.440 29.762 -0.021 0.000 1.388 177 H HN 0.234 8.514 8.280 -0.000 0.000 0.526 178 I N 0.705 120.938 120.570 -0.562 0.000 2.179 178 I HA -0.259 3.911 4.170 0.001 0.000 0.242 178 I C 2.272 178.306 176.117 -0.139 0.000 1.088 178 I CA 1.506 62.587 61.300 -0.366 0.000 1.357 178 I CB -0.253 37.517 38.000 -0.383 0.000 1.051 178 I HN 0.285 8.495 8.210 -0.000 0.000 0.409 179 Q N 0.525 120.258 119.800 -0.111 0.000 2.079 179 Q HA -0.120 4.220 4.340 0.001 0.000 0.200 179 Q C 2.196 178.055 176.000 -0.236 0.000 0.974 179 Q CA 1.533 57.270 55.803 -0.110 0.000 0.840 179 Q CB -0.182 28.513 28.738 -0.072 0.000 0.898 179 Q HN 0.507 8.777 8.270 -0.000 0.000 0.430 180 I N -0.182 120.123 120.570 -0.441 0.000 2.252 180 I HA -0.278 3.892 4.170 0.001 0.000 0.245 180 I C 1.957 177.958 176.117 -0.193 0.000 1.102 180 I CA 1.269 62.194 61.300 -0.624 0.000 1.385 180 I CB -0.416 37.020 38.000 -0.940 0.000 1.064 180 I HN 0.227 8.437 8.210 -0.000 0.000 0.414 181 T N 0.820 115.426 114.554 0.086 0.000 2.708 181 T HA -0.165 4.185 4.350 0.001 0.000 0.266 181 T C 2.087 176.897 174.700 0.183 0.000 1.037 181 T CA 1.553 63.808 62.100 0.258 0.000 1.146 181 T CB -0.345 68.719 68.868 0.327 0.000 0.865 181 T HN 0.472 8.712 8.240 -0.000 0.000 0.435 182 A N 1.124 124.038 122.820 0.157 0.000 1.908 182 A HA -0.048 4.272 4.320 0.001 0.000 0.218 182 A C 2.245 179.675 177.584 -0.257 0.000 1.181 182 A CA 1.428 53.503 52.037 0.063 0.000 0.627 182 A CB -0.789 18.167 19.000 -0.072 0.000 0.818 182 A HN 0.403 8.553 8.150 -0.000 0.000 0.445 183 L N 0.651 121.790 121.223 -0.141 0.000 2.072 183 L HA -0.084 4.257 4.340 0.001 0.000 0.205 183 L C 2.784 179.526 176.870 -0.213 0.000 1.079 183 L CA 2.672 57.417 54.840 -0.158 0.000 0.752 183 L CB -0.741 41.322 42.059 0.008 0.000 0.906 183 L HN 0.512 8.742 8.230 -0.000 0.000 0.436 184 S N -1.391 114.218 115.700 -0.152 0.000 2.370 184 S HA -0.276 4.194 4.470 0.001 0.000 0.226 184 S C 1.928 176.405 174.600 -0.205 0.000 1.033 184 S CA 1.435 59.535 58.200 -0.167 0.000 1.011 184 S CB -0.694 62.438 63.200 -0.113 0.000 0.852 184 S HN 0.658 8.968 8.310 -0.000 0.000 0.457 185 Q N 0.835 120.487 119.800 -0.247 0.000 2.123 185 Q HA 0.137 4.477 4.340 0.001 0.000 0.199 185 Q C 2.614 178.316 176.000 -0.497 0.000 0.966 185 Q CA 1.099 56.739 55.803 -0.272 0.000 0.845 185 Q CB -0.486 28.147 28.738 -0.175 0.000 0.907 185 Q HN 0.779 9.049 8.270 -0.000 0.000 0.439 186 A N 0.538 122.827 122.820 -0.884 0.000 1.978 186 A HA -0.134 4.186 4.320 0.001 0.000 0.220 186 A C 1.732 179.179 177.584 -0.229 0.000 1.170 186 A CA 1.167 52.786 52.037 -0.697 0.000 0.636 186 A CB -0.242 18.382 19.000 -0.627 0.000 0.810 186 A HN 0.318 8.468 8.150 -0.000 0.000 0.448 187 L N -1.148 119.960 121.223 -0.191 0.000 2.766 187 L HA 0.133 4.473 4.340 0.001 0.000 0.242 187 L C 0.363 177.197 176.870 -0.059 0.000 1.136 187 L CA 0.180 54.998 54.840 -0.035 0.000 0.933 187 L CB 0.246 42.291 42.059 -0.022 0.000 1.241 187 L HN 0.251 8.481 8.230 -0.000 0.000 0.522 188 S N 1.114 116.752 115.700 -0.103 0.000 3.631 188 S HA -0.163 4.307 4.470 0.001 0.000 0.366 188 S C 0.235 174.739 174.600 -0.160 0.000 0.993 188 S CA 0.414 58.565 58.200 -0.081 0.000 1.167 188 S CB -1.699 61.505 63.200 0.006 0.000 0.909 188 S HN 0.306 8.616 8.310 -0.000 0.000 0.478 189 I N 1.294 121.707 120.570 -0.260 0.000 2.342 189 I HA 0.435 4.605 4.170 0.001 0.000 0.291 189 I C 0.712 176.719 176.117 -0.183 0.000 1.010 189 I CA -0.367 60.727 61.300 -0.343 0.000 1.308 189 I CB 1.308 39.014 38.000 -0.490 0.000 1.400 189 I HN 0.419 8.629 8.210 -0.000 0.000 0.488 190 A N 7.896 130.639 122.820 -0.130 0.000 2.310 190 A HA 0.523 4.843 4.320 0.001 0.000 0.300 190 A C -0.709 176.792 177.584 -0.138 0.000 1.269 190 A CA -0.254 51.727 52.037 -0.094 0.000 0.909 190 A CB 0.193 19.156 19.000 -0.061 0.000 1.144 190 A HN 0.585 8.735 8.150 -0.000 0.000 0.540 191 L N 2.079 123.221 121.223 -0.136 0.000 2.365 191 L HA 0.600 4.940 4.340 0.001 0.000 0.273 191 L C -0.391 176.389 176.870 -0.150 0.000 1.000 191 L CA -0.215 54.519 54.840 -0.176 0.000 0.819 191 L CB 1.999 43.952 42.059 -0.178 0.000 1.284 191 L HN 0.734 8.964 8.230 -0.000 0.000 0.418 192 Q N 3.487 123.156 119.800 -0.217 0.000 2.331 192 Q HA 0.656 4.997 4.340 0.001 0.000 0.267 192 Q C -1.806 174.161 176.000 -0.055 0.000 1.006 192 Q CA -0.787 54.956 55.803 -0.100 0.000 0.818 192 Q CB 1.951 30.619 28.738 -0.117 0.000 1.276 192 Q HN 0.658 8.928 8.270 -0.000 0.000 0.450 193 V N 4.283 124.172 119.914 -0.042 0.000 2.394 193 V HA 0.341 4.462 4.120 0.001 0.000 0.282 193 V C -0.141 175.791 176.094 -0.269 0.000 1.031 193 V CA -0.658 61.527 62.300 -0.193 0.000 0.881 193 V CB 1.443 33.087 31.823 -0.298 0.000 0.982 193 V HN 0.774 8.964 8.190 -0.000 0.000 0.451 194 E N 3.081 123.109 120.200 -0.287 0.000 2.248 194 E HA 0.500 4.851 4.350 0.001 0.000 0.272 194 E C -1.579 174.784 176.600 -0.395 0.000 1.008 194 E CA -0.496 55.772 56.400 -0.221 0.000 0.856 194 E CB 2.240 31.853 29.700 -0.144 0.000 1.120 194 E HN 0.583 8.943 8.360 -0.000 0.000 0.397 195 Y N -0.100 120.238 120.300 0.063 0.000 2.338 195 Y HA 0.129 4.679 4.550 0.001 0.000 0.333 195 Y C 1.130 177.019 175.900 -0.017 0.000 0.968 195 Y CA -0.553 57.590 58.100 0.072 0.000 1.123 195 Y CB 1.575 40.078 38.460 0.072 0.000 1.165 195 Y HN 0.221 8.501 8.280 -0.000 0.000 0.452 196 V N 1.060 120.981 119.914 0.011 0.000 2.379 196 V HA -0.148 3.972 4.120 0.001 0.000 0.245 196 V C 0.685 176.588 176.094 -0.318 0.000 1.044 196 V CA 1.960 64.158 62.300 -0.170 0.000 1.036 196 V CB -0.179 31.458 31.823 -0.311 0.000 0.664 196 V HN 0.750 8.940 8.190 -0.000 0.000 0.453 206 H N 0.475 119.381 119.070 -0.273 0.000 3.643 206 H HA -0.121 4.436 4.556 0.001 0.000 0.298 206 H C -0.356 174.769 175.328 -0.338 0.000 0.802 206 H CA 0.806 56.619 56.048 -0.392 0.000 0.890 206 H CB -1.386 27.978 29.762 -0.663 0.000 1.436 206 H HN 0.245 8.525 8.280 -0.000 0.000 0.324 207 V N 5.192 124.990 119.914 -0.193 0.000 2.649 207 V HA 0.159 4.279 4.120 0.001 0.000 0.292 207 V C 1.110 177.159 176.094 -0.075 0.000 1.055 207 V CA -0.149 62.029 62.300 -0.202 0.000 1.023 207 V CB 0.479 32.158 31.823 -0.239 0.000 0.992 207 V HN 0.396 8.586 8.190 -0.000 0.000 0.480 208 F N 6.015 126.054 119.950 0.148 0.000 2.412 208 F HA 0.383 4.910 4.527 0.000 0.000 0.348 208 F C -1.239 174.638 175.800 0.129 0.000 1.102 208 F CA -1.765 56.312 58.000 0.129 0.000 1.196 208 F CB 0.547 39.618 39.000 0.118 0.000 1.144 208 F HN 0.366 8.666 8.300 -0.000 0.000 0.541 209 P HA 0.048 4.468 4.420 -0.000 0.000 0.274 209 P C -0.828 176.567 177.300 0.157 0.000 1.237 209 P CA -0.506 62.674 63.100 0.133 0.000 0.793 209 P CB 0.600 32.342 31.700 0.070 0.000 0.977 210 E N 1.084 121.360 120.200 0.128 0.000 2.413 210 E HA 0.289 4.639 4.350 0.001 0.000 0.263 210 E C -0.521 176.125 176.600 0.078 0.000 1.015 210 E CA -0.430 56.039 56.400 0.116 0.000 0.916 210 E CB 0.039 29.804 29.700 0.110 0.000 0.947 210 E HN 0.490 8.850 8.360 -0.000 0.000 0.440 211 A N 1.895 124.746 122.820 0.052 0.000 2.330 211 A HA 0.671 4.991 4.320 0.001 0.000 0.329 211 A C 0.793 178.389 177.584 0.019 0.000 1.135 211 A CA -0.172 51.874 52.037 0.015 0.000 0.817 211 A CB 1.357 20.330 19.000 -0.046 0.000 1.269 211 A HN 0.756 8.906 8.150 -0.000 0.000 0.469 212 A N 0.358 123.186 122.820 0.013 0.000 1.840 212 A HA 0.260 4.580 4.320 0.001 0.000 0.214 212 A C 1.321 178.918 177.584 0.021 0.000 1.198 212 A CA 2.108 54.158 52.037 0.021 0.000 0.608 212 A CB -0.529 18.481 19.000 0.017 0.000 0.839 212 A HN 1.740 9.890 8.150 -0.000 0.000 0.443 213 T N -1.428 113.129 114.554 0.004 0.000 3.418 213 T HA 0.508 4.859 4.350 0.001 0.000 0.315 213 T C -2.923 171.758 174.700 -0.031 0.000 1.447 213 T CA -1.411 60.693 62.100 0.008 0.000 1.641 213 T CB 0.935 69.815 68.868 0.020 0.000 0.904 213 T HN 0.232 8.472 8.240 -0.000 0.000 0.640 214 P HA 0.256 4.676 4.420 -0.000 0.000 0.275 214 P C 1.035 178.244 177.300 -0.152 0.000 1.228 214 P CA -0.355 62.625 63.100 -0.200 0.000 0.786 214 P CB 1.601 33.017 31.700 -0.473 0.000 0.927 215 S N 1.070 116.714 115.700 -0.093 0.000 2.446 215 S HA 0.086 4.556 4.470 0.001 0.000 0.225 215 S C 0.667 175.228 174.600 -0.065 0.000 1.016 215 S CA 0.171 58.356 58.200 -0.025 0.000 0.943 215 S CB -0.137 63.121 63.200 0.096 0.000 0.786 215 S HN 0.283 8.593 8.310 -0.000 0.000 0.508 216 V N 1.638 121.455 119.914 -0.163 0.000 2.588 216 V HA 0.500 4.620 4.120 0.001 0.000 0.304 216 V C -1.664 174.263 176.094 -0.278 0.000 1.042 216 V CA -0.925 61.281 62.300 -0.156 0.000 0.877 216 V CB 1.442 33.183 31.823 -0.136 0.000 0.996 216 V HN 0.395 8.585 8.190 -0.000 0.000 0.425 217 Y N 4.796 125.020 120.300 -0.127 0.000 2.352 217 Y HA 0.710 5.261 4.550 0.000 0.000 0.339 217 Y C -0.006 175.769 175.900 -0.208 0.000 0.992 217 Y CA -0.619 57.401 58.100 -0.132 0.000 1.100 217 Y CB 1.705 40.109 38.460 -0.093 0.000 1.192 217 Y HN 0.400 8.680 8.280 -0.000 0.000 0.458 218 L N 4.264 125.465 121.223 -0.037 0.000 2.333 218 L HA 0.569 4.909 4.340 0.001 0.000 0.269 218 L C -1.188 175.630 176.870 -0.086 0.000 1.010 218 L CA -1.229 53.591 54.840 -0.034 0.000 0.818 218 L CB 2.032 44.138 42.059 0.078 0.000 1.306 218 L HN 0.440 8.670 8.230 -0.000 0.000 0.430 219 L N 2.145 123.322 121.223 -0.076 0.000 2.313 219 L HA 0.435 4.775 4.340 0.001 0.000 0.283 219 L C -1.164 175.660 176.870 -0.077 0.000 1.013 219 L CA -0.136 54.624 54.840 -0.133 0.000 0.816 219 L CB 1.215 43.176 42.059 -0.164 0.000 1.236 219 L HN 0.401 8.631 8.230 -0.000 0.000 0.419 220 Y N 5.589 125.709 120.300 -0.300 0.000 2.330 220 Y HA 0.612 5.162 4.550 0.000 0.000 0.336 220 Y C -0.674 175.107 175.900 -0.197 0.000 1.036 220 Y CA -0.317 57.567 58.100 -0.360 0.000 1.125 220 Y CB 0.855 39.046 38.460 -0.449 0.000 1.194 220 Y HN 0.703 8.983 8.280 -0.000 0.000 0.469 221 K N 4.091 124.047 120.400 -0.741 0.000 2.571 221 K HA 0.226 4.547 4.320 0.001 0.000 0.252 221 K C -0.886 175.383 176.600 -0.552 0.000 0.956 221 K CA -0.270 55.700 56.287 -0.529 0.000 0.822 221 K CB 1.435 33.778 32.500 -0.262 0.000 1.286 221 K HN 0.724 8.974 8.250 -0.000 0.000 0.439 222 T N 2.017 116.321 114.554 -0.417 0.000 3.795 222 T HA -0.178 4.172 4.350 0.001 0.000 0.370 222 T C 0.011 174.571 174.700 -0.233 0.000 0.761 222 T CA 1.458 63.434 62.100 -0.205 0.000 1.923 222 T CB -1.593 67.229 68.868 -0.077 0.000 1.795 222 T HN 0.868 9.108 8.240 -0.000 0.000 0.762 223 S N -1.061 114.348 115.700 -0.485 0.000 3.586 223 S HA -0.206 4.264 4.470 0.001 0.000 0.309 223 S C -0.006 174.494 174.600 -0.168 0.000 1.195 223 S CA 1.397 59.494 58.200 -0.172 0.000 0.895 223 S CB -1.063 62.188 63.200 0.085 0.000 0.983 223 S HN 1.155 9.465 8.310 -0.000 0.000 0.563 224 H N -1.095 117.648 119.070 -0.545 0.000 2.690 224 H HA 0.648 5.205 4.556 0.000 0.000 0.368 224 H C -1.147 173.901 175.328 -0.466 0.000 1.150 224 H CA -0.614 55.264 56.048 -0.284 0.000 1.174 224 H CB 0.883 30.541 29.762 -0.174 0.000 1.684 224 H HN 0.182 8.462 8.280 -0.000 0.000 0.538 225 Y N 2.757 122.932 120.300 -0.209 0.000 2.331 225 Y HA 0.337 4.887 4.550 0.000 0.000 0.334 225 Y C -0.144 175.750 175.900 -0.010 0.000 0.960 225 Y CA -0.837 57.246 58.100 -0.027 0.000 1.130 225 Y CB 1.266 39.741 38.460 0.025 0.000 1.164 225 Y HN 0.607 8.887 8.280 -0.000 0.000 0.458 226 N N 2.309 121.114 118.700 0.175 0.000 2.525 226 N HA 0.572 5.312 4.740 0.001 0.000 0.288 226 N C -1.035 174.499 175.510 0.040 0.000 1.242 226 N CA -0.703 52.416 53.050 0.115 0.000 0.905 226 N CB 1.669 40.212 38.487 0.093 0.000 1.258 226 N HN 0.498 8.878 8.380 -0.000 0.000 0.551 227 I N 1.215 121.796 120.570 0.020 0.000 2.377 227 I HA 0.345 4.516 4.170 0.001 0.000 0.293 227 I C -0.219 175.829 176.117 -0.114 0.000 0.987 227 I CA -0.527 60.737 61.300 -0.060 0.000 1.185 227 I CB 1.152 39.146 38.000 -0.010 0.000 1.341 227 I HN 0.104 8.314 8.210 -0.000 0.000 0.455 228 L N 5.918 126.985 121.223 -0.260 0.000 2.334 228 L HA 0.504 4.844 4.340 0.001 0.000 0.270 228 L C -1.303 175.309 176.870 -0.429 0.000 1.018 228 L CA -0.807 53.856 54.840 -0.295 0.000 0.811 228 L CB 1.428 43.074 42.059 -0.688 0.000 1.271 228 L HN 0.408 8.638 8.230 -0.000 0.000 0.443 229 Y N 0.598 120.957 120.300 0.097 0.000 2.338 229 Y HA 0.560 5.110 4.550 0.000 0.000 0.333 229 Y C 0.262 176.262 175.900 0.166 0.000 0.968 229 Y CA -0.753 57.425 58.100 0.130 0.000 1.123 229 Y CB 1.911 40.422 38.460 0.084 0.000 1.165 229 Y HN 0.554 8.834 8.280 -0.000 0.000 0.452 230 A N 2.073 124.955 122.820 0.102 0.000 2.363 230 A HA 0.670 4.991 4.320 0.001 0.000 0.270 230 A C 0.326 177.866 177.584 -0.074 0.000 1.121 230 A CA -0.270 51.661 52.037 -0.177 0.000 0.800 230 A CB 0.181 18.942 19.000 -0.398 0.000 1.052 230 A HN 0.908 9.058 8.150 -0.000 0.000 0.493 231 A N 2.578 125.299 122.820 -0.164 0.000 3.168 231 A HA 0.296 4.617 4.320 0.001 0.000 0.260 231 A C 0.247 177.750 177.584 -0.135 0.000 1.598 231 A CA -0.229 51.752 52.037 -0.093 0.000 1.285 231 A CB -0.466 18.476 19.000 -0.097 0.000 1.149 231 A HN 0.719 8.869 8.150 -0.000 0.000 0.630 232 D N 1.394 121.732 120.400 -0.104 0.000 2.856 232 D HA 0.131 4.771 4.640 0.001 0.000 0.242 232 D C -0.330 175.903 176.300 -0.111 0.000 1.226 232 D CA 0.673 54.603 54.000 -0.117 0.000 0.855 232 D CB -0.060 40.701 40.800 -0.066 0.000 1.065 232 D HN 0.443 8.813 8.370 -0.000 0.000 0.462 233 K N 0.837 121.160 120.400 -0.129 0.000 2.580 233 K HA 0.117 4.437 4.320 0.001 0.000 0.258 233 K C -0.390 176.138 176.600 -0.120 0.000 0.936 233 K CA -0.739 55.446 56.287 -0.169 0.000 0.852 233 K CB 2.102 34.731 32.500 0.215 0.000 1.329 233 K HN 0.207 8.457 8.250 -0.000 0.000 0.430 234 H N 0.000 119.056 119.070 -0.024 0.000 2.539 234 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 234 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 234 H CB 0.000 29.754 29.762 -0.014 0.000 1.292 234 H HN 0.000 8.280 8.280 -0.000 0.000 0.496