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 1ggx_1_B DATA FIRST_RESID 7 DATA SEQUENCE VIKEFMRFKV RMEGTVNGHE FEIEGEGEGR PYEGHNTVKL KVTKGGPLPF DATA SEQUENCE AWDILSPQFX XXSKVYVKHP ADIPDYKKLS FPEGFKWERV MNFEDGGVVT DATA SEQUENCE VTQDSSLQDG CFIYKVKFIG VNFPSDGPVM QKKTMGWEAS TERLYPRDGV DATA SEQUENCE LKGEIHKALK LKDGGHYLVE FKSIYMAKKP VQLPGYYYVD SKLDITSHNE DATA SEQUENCE DYTIVEQYER TEGRHHLFL 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 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 7 V C 0.000 176.056 176.094 -0.063 0.000 1.182 7 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 7 V CB 0.000 31.858 31.823 0.058 0.000 1.184 8 I N 3.546 124.113 120.570 -0.004 0.000 2.269 8 I HA 0.292 4.463 4.170 0.001 0.000 0.293 8 I C 0.009 176.203 176.117 0.129 0.000 1.106 8 I CA -0.209 61.074 61.300 -0.028 0.000 1.248 8 I CB 0.570 38.558 38.000 -0.020 0.000 1.444 8 I HN 0.227 8.437 8.210 -0.000 0.000 0.497 9 K N 4.939 125.373 120.400 0.057 0.000 2.107 9 K HA 0.188 4.509 4.320 0.001 0.000 0.251 9 K C 0.937 177.700 176.600 0.273 0.000 1.012 9 K CA -0.349 56.027 56.287 0.148 0.000 0.920 9 K CB 0.789 33.340 32.500 0.085 0.000 1.033 9 K HN 0.445 8.695 8.250 -0.000 0.000 0.478 10 E N 0.009 120.382 120.200 0.288 0.000 2.209 10 E HA -0.164 4.186 4.350 0.001 0.000 0.196 10 E C -0.143 176.681 176.600 0.375 0.000 0.993 10 E CA 1.185 57.797 56.400 0.354 0.000 0.819 10 E CB -0.016 29.820 29.700 0.227 0.000 0.745 10 E HN 0.312 8.672 8.360 -0.000 0.000 0.477 11 F N 0.464 120.511 119.950 0.162 0.000 2.518 11 F HA 0.404 4.932 4.527 0.001 0.000 0.323 11 F C -1.020 174.860 175.800 0.133 0.000 1.129 11 F CA -0.905 57.193 58.000 0.163 0.000 0.920 11 F CB 1.102 40.174 39.000 0.120 0.000 1.160 11 F HN -0.307 7.993 8.300 -0.000 0.000 0.440 12 M N 6.278 125.560 119.600 -0.530 0.000 2.446 12 M HA 0.474 4.954 4.480 0.001 0.000 0.294 12 M C -0.751 175.348 176.300 -0.335 0.000 1.158 12 M CA -0.476 54.599 55.300 -0.374 0.000 0.899 12 M CB 2.889 35.386 32.600 -0.171 0.000 1.687 12 M HN 0.638 8.928 8.290 -0.000 0.000 0.455 13 R N 1.555 121.911 120.500 -0.240 0.000 2.782 13 R HA 0.908 5.249 4.340 0.001 0.000 0.258 13 R C -1.103 175.284 176.300 0.145 0.000 1.055 13 R CA -0.572 55.464 56.100 -0.106 0.000 1.065 13 R CB 1.992 32.215 30.300 -0.130 0.000 1.172 13 R HN 0.648 8.918 8.270 -0.000 0.000 0.510 14 F N -1.950 117.997 119.950 -0.005 0.000 2.668 14 F HA 0.582 5.109 4.527 0.001 0.000 0.309 14 F C -1.497 174.246 175.800 -0.095 0.000 1.117 14 F CA -1.271 56.685 58.000 -0.072 0.000 0.951 14 F CB 1.451 40.340 39.000 -0.184 0.000 1.323 14 F HN 0.163 8.463 8.300 -0.000 0.000 0.451 15 K N 1.994 122.469 120.400 0.124 0.000 2.316 15 K HA 0.786 5.107 4.320 0.001 0.000 0.251 15 K C -1.768 174.966 176.600 0.223 0.000 0.934 15 K CA -1.277 55.068 56.287 0.096 0.000 0.802 15 K CB 2.913 35.448 32.500 0.058 0.000 1.171 15 K HN 0.669 8.919 8.250 -0.000 0.000 0.426 16 V N 2.156 122.235 119.914 0.274 0.000 2.925 16 V HA 0.618 4.738 4.120 0.001 0.000 0.311 16 V C -1.725 174.549 176.094 0.299 0.000 1.104 16 V CA -0.741 61.795 62.300 0.393 0.000 0.954 16 V CB 2.112 34.323 31.823 0.647 0.000 1.022 16 V HN 0.837 9.027 8.190 -0.000 0.000 0.427 17 R N 5.612 126.294 120.500 0.304 0.000 2.574 17 R HA 0.691 5.032 4.340 0.001 0.000 0.288 17 R C -1.447 175.011 176.300 0.262 0.000 1.004 17 R CA -0.590 55.658 56.100 0.246 0.000 0.895 17 R CB 1.919 32.315 30.300 0.161 0.000 1.191 17 R HN 0.885 9.155 8.270 -0.000 0.000 0.444 18 M N 3.313 123.091 119.600 0.297 0.000 2.393 18 M HA 0.417 4.898 4.480 0.001 0.000 0.316 18 M C -1.422 174.948 176.300 0.117 0.000 1.087 18 M CA -0.430 55.009 55.300 0.231 0.000 0.937 18 M CB 2.136 34.941 32.600 0.341 0.000 1.668 18 M HN 0.671 8.961 8.290 -0.000 0.000 0.438 19 E N 2.877 123.078 120.200 0.003 0.000 2.155 19 E HA 0.637 4.987 4.350 0.001 0.000 0.264 19 E C -0.693 175.758 176.600 -0.248 0.000 0.886 19 E CA -0.514 55.819 56.400 -0.112 0.000 0.752 19 E CB 2.136 31.793 29.700 -0.073 0.000 1.133 19 E HN 0.894 9.254 8.360 -0.000 0.000 0.414 20 G N 1.395 109.791 108.800 -0.674 0.000 2.733 20 G HA2 0.677 4.638 3.960 0.001 0.000 0.288 20 G HA3 0.677 4.638 3.960 0.001 0.000 0.288 20 G C -0.951 173.369 174.900 -0.967 0.000 1.373 20 G CA -0.416 44.184 45.100 -0.834 0.000 0.895 20 G HN 0.321 8.611 8.290 -0.000 0.000 0.479 21 T N -0.625 113.760 114.554 -0.281 0.000 2.993 21 T HA 0.569 4.919 4.350 0.001 0.000 0.312 21 T C -1.293 173.572 174.700 0.274 0.000 1.115 21 T CA -0.352 61.764 62.100 0.027 0.000 1.027 21 T CB 1.956 70.823 68.868 -0.002 0.000 1.116 21 T HN 0.554 8.794 8.240 -0.000 0.000 0.464 22 V N 3.405 123.502 119.914 0.305 0.000 2.612 22 V HA 0.414 4.534 4.120 0.001 0.000 0.301 22 V C -0.236 175.937 176.094 0.132 0.000 1.059 22 V CA -1.051 61.305 62.300 0.093 0.000 0.886 22 V CB 1.664 33.163 31.823 -0.539 0.000 1.007 22 V HN 0.992 9.182 8.190 -0.000 0.000 0.426 23 N N 3.888 122.673 118.700 0.142 0.000 2.714 23 N HA -0.213 4.527 4.740 0.001 0.000 0.252 23 N C 1.179 176.778 175.510 0.147 0.000 1.014 23 N CA 1.941 55.074 53.050 0.139 0.000 0.735 23 N CB -0.899 37.668 38.487 0.133 0.000 0.924 23 N HN 1.566 9.946 8.380 -0.000 0.000 0.540 24 G N -1.645 107.238 108.800 0.139 0.000 2.179 24 G HA2 -0.372 3.589 3.960 0.001 0.000 0.260 24 G HA3 -0.372 3.589 3.960 0.001 0.000 0.260 24 G C -0.116 174.893 174.900 0.182 0.000 0.977 24 G CA 0.652 45.830 45.100 0.129 0.000 0.641 24 G HN 0.866 9.156 8.290 -0.000 0.000 0.533 25 H N 1.477 120.646 119.070 0.164 0.000 2.594 25 H HA 0.618 5.175 4.556 0.001 0.000 0.304 25 H C 0.257 175.770 175.328 0.309 0.000 1.068 25 H CA -0.350 55.838 56.048 0.233 0.000 1.308 25 H CB 0.546 30.488 29.762 0.300 0.000 1.409 25 H HN 0.403 8.683 8.280 -0.000 0.000 0.460 26 E N 4.812 124.912 120.200 -0.167 0.000 2.313 26 E HA 0.320 4.670 4.350 0.001 0.000 0.272 26 E C -0.906 175.667 176.600 -0.045 0.000 1.038 26 E CA -0.544 55.785 56.400 -0.119 0.000 0.863 26 E CB 1.377 31.004 29.700 -0.121 0.000 1.060 26 E HN 0.523 8.883 8.360 -0.000 0.000 0.402 27 F N -1.150 118.797 119.950 -0.006 0.000 2.713 27 F HA 0.563 5.091 4.527 0.001 0.000 0.311 27 F C -1.160 174.693 175.800 0.087 0.000 1.141 27 F CA -1.047 56.990 58.000 0.062 0.000 0.939 27 F CB 1.367 40.479 39.000 0.188 0.000 1.325 27 F HN 0.228 8.528 8.300 -0.000 0.000 0.453 28 E N 1.524 121.911 120.200 0.312 0.000 2.331 28 E HA 0.730 5.081 4.350 0.001 0.000 0.275 28 E C -1.613 175.181 176.600 0.324 0.000 0.895 28 E CA -0.800 55.732 56.400 0.219 0.000 0.753 28 E CB 3.391 33.161 29.700 0.116 0.000 1.216 28 E HN 0.632 8.992 8.360 -0.000 0.000 0.434 29 I N 1.574 122.339 120.570 0.326 0.000 2.686 29 I HA 0.328 4.499 4.170 0.001 0.000 0.295 29 I C -0.619 175.645 176.117 0.245 0.000 1.114 29 I CA -0.570 60.926 61.300 0.328 0.000 1.038 29 I CB 2.233 40.527 38.000 0.491 0.000 1.238 29 I HN 0.365 8.575 8.210 -0.000 0.000 0.420 30 E N 2.908 123.204 120.200 0.159 0.000 2.288 30 E HA 0.789 5.140 4.350 0.001 0.000 0.268 30 E C -0.620 176.007 176.600 0.046 0.000 0.885 30 E CA -0.874 55.595 56.400 0.115 0.000 0.767 30 E CB 3.030 32.784 29.700 0.091 0.000 1.220 30 E HN 0.787 9.147 8.360 -0.000 0.000 0.427 31 G N 1.074 109.897 108.800 0.039 0.000 2.649 31 G HA2 0.554 4.514 3.960 0.001 0.000 0.290 31 G HA3 0.554 4.514 3.960 0.001 0.000 0.290 31 G C -1.444 173.436 174.900 -0.034 0.000 1.426 31 G CA -0.589 44.495 45.100 -0.026 0.000 0.794 31 G HN 0.410 8.700 8.290 -0.000 0.000 0.483 32 E N -1.171 118.950 120.200 -0.132 0.000 2.321 32 E HA 0.581 4.932 4.350 0.001 0.000 0.278 32 E C -0.321 175.997 176.600 -0.471 0.000 0.902 32 E CA -0.844 55.403 56.400 -0.255 0.000 0.758 32 E CB 2.574 32.183 29.700 -0.151 0.000 1.213 32 E HN 0.826 9.186 8.360 -0.000 0.000 0.426 33 G N 1.493 109.690 108.800 -1.005 0.000 2.866 33 G HA2 0.754 4.715 3.960 0.001 0.000 0.289 33 G HA3 0.754 4.715 3.960 0.001 0.000 0.289 33 G C -1.275 173.140 174.900 -0.808 0.000 1.396 33 G CA -0.578 43.854 45.100 -1.113 0.000 0.848 33 G HN 0.575 8.865 8.290 -0.000 0.000 0.515 34 E N -2.202 117.761 120.200 -0.394 0.000 2.422 34 E HA 0.661 5.011 4.350 0.001 0.000 0.280 34 E C -0.456 176.119 176.600 -0.042 0.000 1.091 34 E CA -0.716 55.588 56.400 -0.160 0.000 0.849 34 E CB 1.455 31.119 29.700 -0.060 0.000 1.353 34 E HN 1.738 10.098 8.360 -0.000 0.000 0.449 35 G N 0.122 108.932 108.800 0.016 0.000 2.321 35 G HA2 0.362 4.322 3.960 0.001 0.000 0.296 35 G HA3 0.362 4.322 3.960 0.001 0.000 0.296 35 G C -1.656 173.499 174.900 0.425 0.000 1.287 35 G CA -1.077 44.158 45.100 0.226 0.000 0.846 35 G HN 0.380 8.670 8.290 -0.000 0.000 0.508 36 R N 1.480 122.265 120.500 0.474 0.000 2.335 36 R HA 0.308 4.649 4.340 0.001 0.000 0.302 36 R C -1.779 174.721 176.300 0.334 0.000 1.147 36 R CA -1.707 54.638 56.100 0.409 0.000 1.111 36 R CB 2.428 32.963 30.300 0.392 0.000 1.122 36 R HN 0.319 8.589 8.270 -0.000 0.000 0.557 37 P HA -0.213 4.207 4.420 -0.000 0.000 0.217 37 P C 0.347 177.501 177.300 -0.243 0.000 1.148 37 P CA 1.572 64.555 63.100 -0.196 0.000 0.834 37 P CB 0.159 31.475 31.700 -0.639 0.000 0.783 38 Y N -0.296 120.053 120.300 0.082 0.000 2.490 38 Y HA 0.125 4.676 4.550 0.001 0.000 0.281 38 Y C 2.183 178.116 175.900 0.055 0.000 1.174 38 Y CA 0.417 58.554 58.100 0.063 0.000 1.295 38 Y CB -0.308 38.187 38.460 0.059 0.000 1.062 38 Y HN 0.057 8.337 8.280 -0.000 0.000 0.522 39 E N -1.075 119.228 120.200 0.171 0.000 2.490 39 E HA 0.219 4.570 4.350 0.001 0.000 0.209 39 E C 1.296 177.788 176.600 -0.181 0.000 0.971 39 E CA 0.403 56.849 56.400 0.076 0.000 0.988 39 E CB 0.641 30.464 29.700 0.206 0.000 1.029 39 E HN 0.360 8.720 8.360 -0.000 0.000 0.496 40 G N 2.253 110.981 108.800 -0.120 0.000 2.160 40 G HA2 -0.207 3.754 3.960 0.001 0.000 0.244 40 G HA3 -0.207 3.754 3.960 0.001 0.000 0.244 40 G C -0.339 174.364 174.900 -0.328 0.000 1.022 40 G CA -0.007 44.960 45.100 -0.221 0.000 0.741 40 G HN 0.276 8.566 8.290 -0.000 0.000 0.508 41 H N -0.162 118.987 119.070 0.132 0.000 2.600 41 H HA 0.636 5.193 4.556 0.001 0.000 0.357 41 H C 0.158 175.522 175.328 0.060 0.000 1.106 41 H CA -0.147 55.963 56.048 0.104 0.000 1.193 41 H CB 1.972 31.896 29.762 0.270 0.000 1.594 41 H HN 0.682 8.962 8.280 -0.000 0.000 0.526 42 N N -0.314 118.410 118.700 0.039 0.000 2.555 42 N HA 0.320 5.060 4.740 0.001 0.000 0.265 42 N C -1.294 174.223 175.510 0.012 0.000 1.135 42 N CA -0.724 52.273 53.050 -0.088 0.000 0.925 42 N CB 2.098 40.234 38.487 -0.584 0.000 1.662 42 N HN 0.539 8.919 8.380 -0.000 0.000 0.489 43 T N -1.395 113.217 114.554 0.097 0.000 2.930 43 T HA 0.812 5.162 4.350 0.001 0.000 0.290 43 T C -1.021 173.724 174.700 0.075 0.000 1.052 43 T CA -0.841 61.348 62.100 0.149 0.000 1.017 43 T CB 1.653 70.634 68.868 0.188 0.000 1.137 43 T HN 0.781 9.021 8.240 -0.000 0.000 0.511 44 V N 0.347 120.318 119.914 0.096 0.000 2.969 44 V HA 0.781 4.902 4.120 0.001 0.000 0.304 44 V C -1.785 174.315 176.094 0.010 0.000 1.192 44 V CA -0.907 61.403 62.300 0.016 0.000 0.962 44 V CB 2.351 34.322 31.823 0.248 0.000 1.045 44 V HN 1.192 9.382 8.190 -0.000 0.000 0.428 45 K N 5.760 126.119 120.400 -0.067 0.000 2.323 45 K HA 0.751 5.072 4.320 0.001 0.000 0.259 45 K C -1.444 175.104 176.600 -0.088 0.000 0.947 45 K CA -0.528 55.720 56.287 -0.064 0.000 0.819 45 K CB 1.252 33.710 32.500 -0.070 0.000 1.109 45 K HN 0.583 8.833 8.250 -0.000 0.000 0.429 46 L N 2.630 123.795 121.223 -0.096 0.000 2.313 46 L HA 0.650 4.990 4.340 0.001 0.000 0.268 46 L C -0.697 176.136 176.870 -0.061 0.000 1.010 46 L CA -0.995 53.788 54.840 -0.096 0.000 0.814 46 L CB 1.253 43.266 42.059 -0.077 0.000 1.304 46 L HN 0.604 8.834 8.230 -0.000 0.000 0.441 47 K N 0.453 120.858 120.400 0.009 0.000 2.581 47 K HA 0.440 4.761 4.320 0.001 0.000 0.249 47 K C -1.551 175.116 176.600 0.111 0.000 0.966 47 K CA -0.402 55.901 56.287 0.026 0.000 0.811 47 K CB 1.636 34.143 32.500 0.011 0.000 1.223 47 K HN 0.247 8.497 8.250 -0.000 0.000 0.438 48 V N 5.033 125.028 119.914 0.134 0.000 2.415 48 V HA 0.096 4.217 4.120 0.001 0.000 0.267 48 V C 1.213 177.392 176.094 0.141 0.000 1.042 48 V CA 0.644 63.061 62.300 0.195 0.000 1.000 48 V CB 0.500 32.437 31.823 0.190 0.000 1.015 48 V HN 1.017 9.207 8.190 -0.000 0.000 0.478 49 T N 1.423 116.068 114.554 0.152 0.000 3.051 49 T HA 0.163 4.513 4.350 0.001 0.000 0.255 49 T C 0.516 175.283 174.700 0.112 0.000 1.085 49 T CA 0.139 62.306 62.100 0.112 0.000 1.109 49 T CB 0.349 69.276 68.868 0.100 0.000 0.921 49 T HN 0.510 8.750 8.240 -0.000 0.000 0.488 50 K N -0.435 120.055 120.400 0.149 0.000 2.543 50 K HA 0.475 4.795 4.320 0.001 0.000 0.255 50 K C 0.259 176.977 176.600 0.196 0.000 0.934 50 K CA -0.039 56.329 56.287 0.135 0.000 0.810 50 K CB 1.362 33.922 32.500 0.100 0.000 1.315 50 K HN 0.198 8.448 8.250 -0.000 0.000 0.433 51 G N 1.668 110.568 108.800 0.167 0.000 2.195 51 G HA2 -0.212 3.748 3.960 0.001 0.000 0.246 51 G HA3 -0.212 3.748 3.960 0.001 0.000 0.246 51 G C 0.333 175.424 174.900 0.319 0.000 0.984 51 G CA -0.067 45.175 45.100 0.237 0.000 0.633 51 G HN 0.899 9.189 8.290 -0.000 0.000 0.525 52 G N 1.009 109.924 108.800 0.192 0.000 2.467 52 G HA2 0.602 4.562 3.960 0.001 0.000 0.257 52 G HA3 0.602 4.562 3.960 0.001 0.000 0.257 52 G C -1.114 173.840 174.900 0.090 0.000 1.227 52 G CA -0.082 45.089 45.100 0.119 0.000 0.835 52 G HN 0.383 8.673 8.290 -0.000 0.000 0.556 53 P HA 0.251 4.671 4.420 -0.000 0.000 0.279 53 P C -0.058 177.187 177.300 -0.092 0.000 1.239 53 P CA -0.464 62.628 63.100 -0.013 0.000 0.789 53 P CB 1.347 33.032 31.700 -0.025 0.000 0.933 54 L N 4.649 125.747 121.223 -0.208 0.000 2.453 54 L HA 0.112 4.452 4.340 0.001 0.000 0.272 54 L C -1.057 175.477 176.870 -0.560 0.000 1.182 54 L CA -1.236 53.286 54.840 -0.530 0.000 0.858 54 L CB 0.123 41.586 42.059 -0.994 0.000 1.120 54 L HN 0.330 8.560 8.230 -0.000 0.000 0.474 55 P HA 0.099 4.519 4.420 -0.000 0.000 0.254 55 P C -0.816 176.382 177.300 -0.170 0.000 1.494 55 P CA 0.170 63.082 63.100 -0.314 0.000 0.961 55 P CB -0.171 31.351 31.700 -0.295 0.000 1.493 56 F N -2.640 117.158 119.950 -0.254 0.000 2.685 56 F HA 0.781 5.308 4.527 0.001 0.000 0.315 56 F C -0.822 174.809 175.800 -0.281 0.000 1.126 56 F CA -2.295 55.538 58.000 -0.278 0.000 0.950 56 F CB 0.379 39.176 39.000 -0.337 0.000 1.360 56 F HN -0.192 8.108 8.300 -0.000 0.000 0.469 57 A N 2.561 125.346 122.820 -0.058 0.000 2.524 57 A HA 0.035 4.356 4.320 0.001 0.000 0.250 57 A C 0.767 178.298 177.584 -0.088 0.000 1.078 57 A CA -0.108 51.836 52.037 -0.156 0.000 0.761 57 A CB -0.367 18.552 19.000 -0.134 0.000 1.012 57 A HN 1.060 9.210 8.150 -0.000 0.000 0.500 58 W N 2.859 123.905 121.300 -0.423 0.000 2.342 58 W HA -0.178 4.483 4.660 0.001 0.000 0.297 58 W C 0.535 177.064 176.519 0.016 0.000 1.213 58 W CA 2.053 59.253 57.345 -0.240 0.000 1.251 58 W CB -0.174 29.085 29.460 -0.336 0.000 1.136 58 W HN 0.855 9.035 8.180 -0.000 0.000 0.526 59 D N 1.214 121.665 120.400 0.085 0.000 2.220 59 D HA -0.267 4.373 4.640 0.001 0.000 0.198 59 D C 1.985 178.485 176.300 0.334 0.000 1.001 59 D CA 2.416 56.510 54.000 0.157 0.000 0.875 59 D CB -0.731 39.981 40.800 -0.146 0.000 0.921 59 D HN 0.510 8.880 8.370 -0.000 0.000 0.454 60 I N -2.297 118.415 120.570 0.237 0.000 2.614 60 I HA -0.121 4.049 4.170 0.001 0.000 0.258 60 I C 1.916 178.215 176.117 0.304 0.000 1.189 60 I CA 0.873 62.452 61.300 0.465 0.000 1.462 60 I CB -0.265 37.934 38.000 0.331 0.000 1.092 60 I HN -0.077 8.133 8.210 -0.000 0.000 0.442 61 L N 1.169 122.330 121.223 -0.102 0.000 2.354 61 L HA 0.014 4.355 4.340 0.001 0.000 0.212 61 L C 2.914 179.615 176.870 -0.281 0.000 1.091 61 L CA 0.907 55.494 54.840 -0.422 0.000 0.828 61 L CB -0.528 41.022 42.059 -0.848 0.000 0.973 61 L HN 0.372 8.602 8.230 -0.000 0.000 0.461 62 S N 0.851 116.549 115.700 -0.004 0.000 2.380 62 S HA -0.122 4.349 4.470 0.001 0.000 0.229 62 S C -0.612 174.158 174.600 0.284 0.000 1.043 62 S CA 1.141 59.570 58.200 0.381 0.000 1.038 62 S CB -1.873 61.694 63.200 0.612 0.000 0.872 62 S HN 0.248 8.558 8.310 -0.000 0.000 0.456 63 P HA 0.101 4.521 4.420 -0.000 0.000 0.242 63 P C 0.866 178.203 177.300 0.061 0.000 1.197 63 P CA 0.618 63.755 63.100 0.062 0.000 0.765 63 P CB -0.038 31.659 31.700 -0.004 0.000 0.936 64 Q N -1.712 118.101 119.800 0.022 0.000 2.360 64 Q HA 0.182 4.523 4.340 0.001 0.000 0.202 64 Q C 0.557 176.583 176.000 0.043 0.000 0.915 64 Q CA 0.247 56.119 55.803 0.116 0.000 0.943 64 Q CB -0.201 28.542 28.738 0.008 0.000 1.064 64 Q HN 0.342 8.612 8.270 -0.000 0.000 0.511 70 K N 0.861 121.196 120.400 -0.109 0.000 2.585 70 K HA 0.088 4.409 4.320 0.001 0.000 0.194 70 K C 1.624 178.168 176.600 -0.093 0.000 1.037 70 K CA 0.353 56.561 56.287 -0.131 0.000 0.964 70 K CB -0.507 31.793 32.500 -0.334 0.000 0.787 70 K HN 0.449 8.699 8.250 -0.000 0.000 0.488 71 V N 0.205 120.092 119.914 -0.044 0.000 2.970 71 V HA -0.180 3.940 4.120 0.001 0.000 0.260 71 V C 0.896 176.816 176.094 -0.290 0.000 1.100 71 V CA 1.208 63.387 62.300 -0.201 0.000 1.122 71 V CB -0.411 31.164 31.823 -0.414 0.000 0.721 71 V HN 0.234 8.424 8.190 -0.000 0.000 0.483 72 Y N -0.693 119.513 120.300 -0.158 0.000 2.471 72 Y HA 0.282 4.833 4.550 0.001 0.000 0.286 72 Y C 0.977 176.813 175.900 -0.107 0.000 1.188 72 Y CA -0.216 57.814 58.100 -0.117 0.000 1.286 72 Y CB 0.005 38.431 38.460 -0.056 0.000 1.072 72 Y HN 0.007 8.287 8.280 -0.000 0.000 0.517 73 V N 2.096 122.026 119.914 0.027 0.000 2.521 73 V HA -0.041 4.079 4.120 0.001 0.000 0.286 73 V C 0.429 176.533 176.094 0.016 0.000 1.034 73 V CA -0.832 61.453 62.300 -0.025 0.000 1.045 73 V CB 0.811 32.609 31.823 -0.040 0.000 0.974 73 V HN 0.145 8.335 8.190 -0.000 0.000 0.480 74 K N 4.396 124.746 120.400 -0.084 0.000 2.379 74 K HA 0.214 4.535 4.320 0.001 0.000 0.284 74 K C -0.753 175.770 176.600 -0.128 0.000 1.044 74 K CA -0.182 56.083 56.287 -0.036 0.000 0.974 74 K CB 0.178 32.639 32.500 -0.065 0.000 0.962 74 K HN 0.790 9.040 8.250 -0.000 0.000 0.474 75 H N 3.443 122.503 119.070 -0.017 0.000 2.572 75 H HA 0.344 4.900 4.556 0.001 0.000 0.359 75 H C -2.263 173.050 175.328 -0.024 0.000 1.134 75 H CA -1.716 54.311 56.048 -0.035 0.000 1.187 75 H CB 1.480 31.204 29.762 -0.064 0.000 1.597 75 H HN 0.579 8.859 8.280 -0.000 0.000 0.524 76 P HA 0.098 4.518 4.420 -0.000 0.000 0.271 76 P C 0.315 177.639 177.300 0.040 0.000 1.218 76 P CA -0.187 62.927 63.100 0.024 0.000 0.780 76 P CB 0.949 32.635 31.700 -0.025 0.000 0.901 77 A N 2.783 125.630 122.820 0.045 0.000 1.986 77 A HA -0.220 4.101 4.320 0.001 0.000 0.220 77 A C 1.575 179.178 177.584 0.032 0.000 1.171 77 A CA 2.105 54.166 52.037 0.041 0.000 0.640 77 A CB -1.082 17.941 19.000 0.038 0.000 0.811 77 A HN 0.703 8.852 8.150 -0.000 0.000 0.451 78 D N -0.803 119.624 120.400 0.045 0.000 2.349 78 D HA 0.064 4.704 4.640 0.001 0.000 0.224 78 D C 0.352 176.673 176.300 0.035 0.000 1.029 78 D CA 0.136 54.175 54.000 0.065 0.000 0.879 78 D CB -0.270 40.609 40.800 0.132 0.000 0.906 78 D HN 0.467 8.837 8.370 -0.000 0.000 0.528 79 I N 2.377 122.920 120.570 -0.045 0.000 2.382 79 I HA 0.209 4.380 4.170 0.001 0.000 0.285 79 I C -2.316 173.705 176.117 -0.160 0.000 1.007 79 I CA -2.393 58.810 61.300 -0.161 0.000 1.142 79 I CB 1.854 39.654 38.000 -0.334 0.000 1.289 79 I HN -0.318 7.892 8.210 -0.000 0.000 0.453 80 P HA -0.075 4.345 4.420 -0.000 0.000 0.261 80 P C -0.509 176.633 177.300 -0.264 0.000 1.183 80 P CA 0.078 63.090 63.100 -0.146 0.000 0.761 80 P CB 0.808 32.458 31.700 -0.084 0.000 0.785 81 D N 2.947 123.167 120.400 -0.301 0.000 2.619 81 D HA -0.027 4.614 4.640 0.001 0.000 0.224 81 D C 1.183 177.306 176.300 -0.295 0.000 1.133 81 D CA -0.588 53.084 54.000 -0.547 0.000 1.017 81 D CB -0.483 40.045 40.800 -0.453 0.000 1.077 81 D HN 0.297 8.667 8.370 -0.000 0.000 0.503 82 Y N 3.004 123.090 120.300 -0.358 0.000 2.096 82 Y HA -0.346 4.205 4.550 0.001 0.000 0.278 82 Y C 1.846 177.569 175.900 -0.295 0.000 1.192 82 Y CA 2.044 59.986 58.100 -0.264 0.000 1.143 82 Y CB 0.188 38.505 38.460 -0.239 0.000 0.963 82 Y HN 0.170 8.450 8.280 -0.000 0.000 0.505 83 K N -0.156 120.014 120.400 -0.382 0.000 2.057 83 K HA -0.165 4.155 4.320 0.001 0.000 0.206 83 K C 2.172 178.659 176.600 -0.189 0.000 1.050 83 K CA 1.714 57.640 56.287 -0.601 0.000 0.935 83 K CB -0.138 31.910 32.500 -0.753 0.000 0.715 83 K HN 0.312 8.562 8.250 -0.000 0.000 0.439 84 K N 0.710 121.031 120.400 -0.132 0.000 2.057 84 K HA -0.048 4.272 4.320 0.001 0.000 0.206 84 K C 1.976 178.639 176.600 0.106 0.000 1.050 84 K CA 0.955 57.262 56.287 0.032 0.000 0.935 84 K CB -0.068 32.380 32.500 -0.088 0.000 0.715 84 K HN 0.083 8.333 8.250 -0.000 0.000 0.439 85 L N 1.335 122.534 121.223 -0.040 0.000 2.353 85 L HA -0.154 4.186 4.340 0.001 0.000 0.220 85 L C 2.442 179.272 176.870 -0.067 0.000 1.133 85 L CA 1.020 55.837 54.840 -0.039 0.000 0.798 85 L CB -0.611 41.399 42.059 -0.081 0.000 0.922 85 L HN 0.243 8.473 8.230 -0.000 0.000 0.445 86 S N -0.689 114.919 115.700 -0.153 0.000 2.453 86 S HA -0.025 4.445 4.470 0.001 0.000 0.231 86 S C 0.716 175.195 174.600 -0.202 0.000 1.005 86 S CA 0.008 58.056 58.200 -0.254 0.000 0.949 86 S CB -0.384 62.570 63.200 -0.410 0.000 0.774 86 S HN 0.139 8.449 8.310 -0.000 0.000 0.510 87 F N 2.695 122.671 119.950 0.043 0.000 2.375 87 F HA 0.398 4.926 4.527 0.001 0.000 0.313 87 F C -0.704 175.128 175.800 0.052 0.000 1.176 87 F CA -2.047 56.010 58.000 0.095 0.000 1.142 87 F CB 0.192 39.298 39.000 0.176 0.000 1.275 87 F HN -0.091 8.209 8.300 -0.000 0.000 0.544 88 P HA -0.164 4.256 4.420 -0.000 0.000 0.223 88 P C 1.124 178.540 177.300 0.194 0.000 1.151 88 P CA 1.167 64.448 63.100 0.301 0.000 0.787 88 P CB 0.218 32.019 31.700 0.169 0.000 0.788 89 E N 0.985 121.204 120.200 0.031 0.000 2.058 89 E HA 0.020 4.371 4.350 0.001 0.000 0.194 89 E C 1.184 177.669 176.600 -0.191 0.000 0.997 89 E CA 1.765 58.137 56.400 -0.048 0.000 0.801 89 E CB -0.780 28.881 29.700 -0.064 0.000 0.746 89 E HN 0.334 8.694 8.360 -0.000 0.000 0.450 90 G N -1.678 106.809 108.800 -0.521 0.000 2.447 90 G HA2 0.105 4.065 3.960 0.001 0.000 0.220 90 G HA3 0.105 4.065 3.960 0.001 0.000 0.220 90 G C -0.534 174.100 174.900 -0.444 0.000 1.261 90 G CA -0.446 44.045 45.100 -1.015 0.000 1.000 90 G HN 0.707 8.997 8.290 -0.000 0.000 0.515 91 F N -1.672 118.001 119.950 -0.462 0.000 2.711 91 F HA 0.910 5.437 4.527 0.001 0.000 0.313 91 F C -0.725 175.038 175.800 -0.063 0.000 1.141 91 F CA -1.459 56.410 58.000 -0.217 0.000 0.941 91 F CB 1.282 40.166 39.000 -0.193 0.000 1.349 91 F HN 0.625 8.925 8.300 -0.000 0.000 0.464 92 K N 1.740 122.201 120.400 0.103 0.000 2.318 92 K HA 0.490 4.811 4.320 0.001 0.000 0.249 92 K C -1.644 175.114 176.600 0.265 0.000 0.942 92 K CA -0.735 55.536 56.287 -0.027 0.000 0.808 92 K CB 2.543 35.011 32.500 -0.055 0.000 1.189 92 K HN 0.824 9.074 8.250 -0.000 0.000 0.428 93 W N 1.419 122.731 121.300 0.020 0.000 2.950 93 W HA 0.570 5.231 4.660 0.002 0.000 0.340 93 W C -1.079 175.379 176.519 -0.102 0.000 1.139 93 W CA -0.653 56.705 57.345 0.021 0.000 1.188 93 W CB 1.038 30.595 29.460 0.162 0.000 1.426 93 W HN 0.536 8.716 8.180 -0.000 0.000 0.531 94 E N 1.683 121.978 120.200 0.159 0.000 2.416 94 E HA 0.665 5.016 4.350 0.001 0.000 0.273 94 E C -1.311 175.342 176.600 0.089 0.000 0.935 94 E CA -1.199 55.204 56.400 0.005 0.000 0.784 94 E CB 3.738 33.386 29.700 -0.086 0.000 1.301 94 E HN 0.454 8.813 8.360 -0.000 0.000 0.454 95 R N 0.514 121.022 120.500 0.014 0.000 2.664 95 R HA 0.465 4.805 4.340 0.001 0.000 0.266 95 R C -2.168 174.047 176.300 -0.142 0.000 1.046 95 R CA -0.486 55.586 56.100 -0.046 0.000 0.885 95 R CB 1.656 31.993 30.300 0.061 0.000 1.254 95 R HN 0.327 8.597 8.270 -0.000 0.000 0.465 96 V N 3.933 123.733 119.914 -0.189 0.000 2.540 96 V HA 0.533 4.653 4.120 0.001 0.000 0.302 96 V C -0.244 175.669 176.094 -0.302 0.000 1.035 96 V CA -0.656 61.520 62.300 -0.206 0.000 0.873 96 V CB 1.874 33.608 31.823 -0.149 0.000 0.992 96 V HN 0.707 8.897 8.190 -0.000 0.000 0.428 97 M N 4.758 124.170 119.600 -0.314 0.000 2.085 97 M HA 0.481 4.961 4.480 0.001 0.000 0.309 97 M C -0.840 175.312 176.300 -0.246 0.000 0.947 97 M CA -0.389 54.642 55.300 -0.448 0.000 0.918 97 M CB 1.491 33.769 32.600 -0.536 0.000 1.504 97 M HN 0.542 8.832 8.290 -0.000 0.000 0.420 98 N N 3.742 122.293 118.700 -0.249 0.000 2.485 98 N HA 0.385 5.125 4.740 0.001 0.000 0.243 98 N C -1.289 174.122 175.510 -0.164 0.000 0.987 98 N CA -0.074 52.909 53.050 -0.112 0.000 0.940 98 N CB 0.878 39.322 38.487 -0.072 0.000 1.122 98 N HN 0.370 8.750 8.380 -0.000 0.000 0.509 99 F N 0.938 120.854 119.950 -0.058 0.000 2.389 99 F HA 0.114 4.642 4.527 0.001 0.000 0.337 99 F C 2.124 177.900 175.800 -0.040 0.000 1.112 99 F CA -0.796 57.164 58.000 -0.067 0.000 1.192 99 F CB 0.933 39.957 39.000 0.041 0.000 1.185 99 F HN 0.477 8.777 8.300 -0.000 0.000 0.552 100 E N -0.003 120.249 120.200 0.087 0.000 2.333 100 E HA -0.213 4.138 4.350 0.001 0.000 0.198 100 E C 0.368 177.075 176.600 0.178 0.000 1.007 100 E CA 1.455 57.924 56.400 0.114 0.000 0.845 100 E CB -0.405 29.354 29.700 0.098 0.000 0.766 100 E HN 0.671 9.031 8.360 -0.000 0.000 0.507 101 D N -0.575 119.998 120.400 0.287 0.000 2.427 101 D HA 0.154 4.795 4.640 0.001 0.000 0.224 101 D C 1.208 177.577 176.300 0.114 0.000 1.157 101 D CA 0.232 54.364 54.000 0.220 0.000 0.828 101 D CB 0.542 41.511 40.800 0.283 0.000 0.974 101 D HN 0.318 8.688 8.370 -0.000 0.000 0.498 102 G N -0.603 108.241 108.800 0.074 0.000 2.254 102 G HA2 -0.178 3.783 3.960 0.001 0.000 0.225 102 G HA3 -0.178 3.783 3.960 0.001 0.000 0.225 102 G C 0.754 175.562 174.900 -0.152 0.000 1.003 102 G CA -0.155 44.931 45.100 -0.023 0.000 0.622 102 G HN 0.777 9.067 8.290 -0.000 0.000 0.507 103 G N -0.133 108.502 108.800 -0.275 0.000 2.353 103 G HA2 0.535 4.496 3.960 0.001 0.000 0.239 103 G HA3 0.535 4.496 3.960 0.001 0.000 0.239 103 G C -0.235 174.416 174.900 -0.414 0.000 1.295 103 G CA 0.825 45.345 45.100 -0.966 0.000 0.884 103 G HN 1.189 9.479 8.290 -0.000 0.000 0.537 104 V N 2.524 122.146 119.914 -0.488 0.000 2.760 104 V HA 0.548 4.668 4.120 0.001 0.000 0.309 104 V C -0.354 175.670 176.094 -0.116 0.000 1.077 104 V CA -0.670 61.547 62.300 -0.137 0.000 0.910 104 V CB 2.048 33.791 31.823 -0.132 0.000 1.008 104 V HN 0.618 8.808 8.190 -0.000 0.000 0.424 105 V N 2.949 122.840 119.914 -0.037 0.000 2.789 105 V HA 0.771 4.892 4.120 0.001 0.000 0.311 105 V C -0.139 175.790 176.094 -0.275 0.000 1.073 105 V CA -0.462 61.720 62.300 -0.196 0.000 0.921 105 V CB 2.669 34.356 31.823 -0.227 0.000 1.009 105 V HN 1.038 9.228 8.190 -0.000 0.000 0.426 106 T N 1.017 115.363 114.554 -0.348 0.000 2.863 106 T HA 0.881 5.232 4.350 0.001 0.000 0.285 106 T C -0.941 173.552 174.700 -0.345 0.000 1.009 106 T CA -0.732 61.201 62.100 -0.279 0.000 0.989 106 T CB 1.825 70.575 68.868 -0.197 0.000 1.004 106 T HN 0.406 8.646 8.240 -0.000 0.000 0.455 107 V N 1.469 121.230 119.914 -0.255 0.000 2.876 107 V HA 0.837 4.957 4.120 0.001 0.000 0.312 107 V C -0.068 175.851 176.094 -0.291 0.000 1.085 107 V CA -0.772 61.381 62.300 -0.245 0.000 0.945 107 V CB 2.115 33.867 31.823 -0.118 0.000 1.017 107 V HN 1.169 9.359 8.190 -0.000 0.000 0.428 108 T N 3.228 117.564 114.554 -0.365 0.000 2.916 108 T HA 0.563 4.913 4.350 0.001 0.000 0.298 108 T C -1.334 173.024 174.700 -0.571 0.000 1.031 108 T CA -0.335 61.519 62.100 -0.409 0.000 0.993 108 T CB 1.632 70.351 68.868 -0.249 0.000 1.045 108 T HN 0.779 9.019 8.240 -0.000 0.000 0.454 109 Q N 2.904 122.239 119.800 -0.775 0.000 2.416 109 Q HA 0.372 4.713 4.340 0.001 0.000 0.281 109 Q C -2.138 173.521 176.000 -0.568 0.000 1.067 109 Q CA -0.611 54.701 55.803 -0.818 0.000 0.809 109 Q CB 2.585 30.373 28.738 -1.583 0.000 1.418 109 Q HN 0.786 9.056 8.270 -0.000 0.000 0.411 110 D N 0.941 121.120 120.400 -0.369 0.000 2.649 110 D HA 0.430 5.070 4.640 0.001 0.000 0.249 110 D C -1.452 174.737 176.300 -0.185 0.000 1.112 110 D CA -0.140 53.706 54.000 -0.256 0.000 0.850 110 D CB 1.836 42.550 40.800 -0.143 0.000 1.399 110 D HN 0.386 8.756 8.370 -0.000 0.000 0.503 111 S N 1.583 117.112 115.700 -0.285 0.000 2.498 111 S HA 0.548 5.019 4.470 0.001 0.000 0.317 111 S C -0.236 174.384 174.600 0.034 0.000 1.090 111 S CA -0.680 57.468 58.200 -0.087 0.000 1.089 111 S CB 1.380 64.302 63.200 -0.464 0.000 0.997 111 S HN 0.552 8.862 8.310 -0.000 0.000 0.470 112 S N 2.416 118.282 115.700 0.277 0.000 2.745 112 S HA 0.838 5.309 4.470 0.001 0.000 0.306 112 S C -1.210 173.709 174.600 0.532 0.000 1.137 112 S CA -0.918 57.464 58.200 0.303 0.000 0.900 112 S CB 1.155 64.447 63.200 0.153 0.000 1.176 112 S HN 0.463 8.773 8.310 -0.000 0.000 0.520 113 L N 1.245 122.715 121.223 0.412 0.000 2.372 113 L HA 0.577 4.918 4.340 0.001 0.000 0.273 113 L C -0.795 176.150 176.870 0.124 0.000 0.989 113 L CA -0.123 54.884 54.840 0.279 0.000 0.841 113 L CB 1.405 43.644 42.059 0.301 0.000 1.225 113 L HN 0.927 9.157 8.230 -0.000 0.000 0.414 114 Q N 4.158 123.997 119.800 0.066 0.000 2.327 114 Q HA 0.340 4.681 4.340 0.001 0.000 0.270 114 Q C -0.952 175.048 176.000 -0.000 0.000 1.022 114 Q CA -0.433 55.394 55.803 0.039 0.000 0.773 114 Q CB 1.072 29.841 28.738 0.051 0.000 1.251 114 Q HN 0.713 8.983 8.270 -0.000 0.000 0.457 115 D N 3.724 124.121 120.400 -0.005 0.000 2.697 115 D HA -0.203 4.437 4.640 0.001 0.000 0.238 115 D C 0.588 176.859 176.300 -0.048 0.000 1.152 115 D CA 1.544 55.534 54.000 -0.017 0.000 0.666 115 D CB -1.171 39.626 40.800 -0.006 0.000 1.037 115 D HN 1.134 9.504 8.370 -0.000 0.000 0.423 116 G N -0.858 107.892 108.800 -0.084 0.000 2.166 116 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 116 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 116 G C 0.431 175.194 174.900 -0.228 0.000 0.986 116 G CA 0.556 45.568 45.100 -0.148 0.000 0.683 116 G HN 0.902 9.192 8.290 -0.000 0.000 0.527 117 C N 0.260 119.443 119.300 -0.195 0.000 2.441 117 C HA 0.781 5.242 4.460 0.001 0.000 0.318 117 C C 0.263 175.172 174.990 -0.134 0.000 1.222 117 C CA -1.741 57.168 59.018 -0.182 0.000 1.474 117 C CB -0.034 27.668 27.740 -0.063 0.000 2.125 117 C HN 0.312 8.542 8.230 -0.000 0.000 0.479 118 F N 5.924 125.854 119.950 -0.033 0.000 2.484 118 F HA 0.488 5.015 4.527 0.001 0.000 0.360 118 F C 0.724 176.463 175.800 -0.102 0.000 1.101 118 F CA -0.199 57.765 58.000 -0.059 0.000 1.251 118 F CB 0.480 39.391 39.000 -0.149 0.000 1.132 118 F HN 0.288 8.588 8.300 -0.000 0.000 0.570 119 I N 4.712 125.408 120.570 0.210 0.000 2.389 119 I HA 0.208 4.379 4.170 0.001 0.000 0.288 119 I C -0.964 175.323 176.117 0.284 0.000 0.999 119 I CA -1.011 60.379 61.300 0.149 0.000 1.129 119 I CB 1.036 39.126 38.000 0.150 0.000 1.288 119 I HN 0.331 8.541 8.210 -0.000 0.000 0.444 120 Y N 4.781 125.201 120.300 0.199 0.000 2.335 120 Y HA 0.492 5.042 4.550 0.001 0.000 0.338 120 Y C 0.081 176.044 175.900 0.106 0.000 0.977 120 Y CA -1.751 56.428 58.100 0.130 0.000 1.114 120 Y CB 1.499 40.070 38.460 0.186 0.000 1.182 120 Y HN 0.361 8.641 8.280 -0.000 0.000 0.463 121 K N 2.695 123.198 120.400 0.171 0.000 2.450 121 K HA 0.702 5.022 4.320 0.001 0.000 0.257 121 K C -1.341 175.243 176.600 -0.028 0.000 0.953 121 K CA -0.465 55.869 56.287 0.077 0.000 0.844 121 K CB 1.907 34.422 32.500 0.027 0.000 1.103 121 K HN 0.336 8.586 8.250 -0.000 0.000 0.429 122 V N 2.483 122.401 119.914 0.006 0.000 2.604 122 V HA 0.479 4.600 4.120 0.001 0.000 0.305 122 V C -0.524 175.536 176.094 -0.056 0.000 1.043 122 V CA -1.059 61.187 62.300 -0.089 0.000 0.888 122 V CB 1.807 33.608 31.823 -0.036 0.000 0.995 122 V HN 0.598 8.788 8.190 -0.000 0.000 0.429 123 K N 3.398 123.733 120.400 -0.108 0.000 2.292 123 K HA 0.667 4.987 4.320 0.001 0.000 0.257 123 K C -1.673 174.923 176.600 -0.006 0.000 0.940 123 K CA -0.512 55.736 56.287 -0.064 0.000 0.811 123 K CB 2.627 35.068 32.500 -0.099 0.000 1.120 123 K HN 0.594 8.844 8.250 -0.000 0.000 0.428 124 F N 3.814 123.670 119.950 -0.156 0.000 2.561 124 F HA 0.515 5.042 4.527 0.000 0.000 0.313 124 F C -1.340 174.396 175.800 -0.106 0.000 1.126 124 F CA -0.794 57.138 58.000 -0.115 0.000 0.918 124 F CB 1.050 40.013 39.000 -0.062 0.000 1.199 124 F HN 0.358 8.658 8.300 -0.000 0.000 0.444 125 I N 5.262 125.675 120.570 -0.262 0.000 2.468 125 I HA 0.486 4.657 4.170 0.001 0.000 0.285 125 I C -0.231 175.738 176.117 -0.246 0.000 1.039 125 I CA -0.727 60.493 61.300 -0.133 0.000 1.074 125 I CB 1.899 39.828 38.000 -0.118 0.000 1.228 125 I HN 0.774 8.984 8.210 -0.000 0.000 0.436 126 G N 5.902 114.699 108.800 -0.006 0.000 2.470 126 G HA2 0.695 4.656 3.960 0.001 0.000 0.320 126 G HA3 0.695 4.656 3.960 0.001 0.000 0.320 126 G C -0.815 174.190 174.900 0.174 0.000 1.245 126 G CA -0.490 44.687 45.100 0.128 0.000 0.935 126 G HN 0.480 8.770 8.290 -0.000 0.000 0.476 127 V N 0.345 120.274 119.914 0.026 0.000 3.160 127 V HA 0.779 4.899 4.120 0.001 0.000 0.310 127 V C 0.454 176.397 176.094 -0.253 0.000 1.181 127 V CA -1.007 61.273 62.300 -0.034 0.000 1.047 127 V CB 1.757 33.547 31.823 -0.054 0.000 1.068 127 V HN 0.847 9.037 8.190 -0.000 0.000 0.441 128 N N -0.431 118.185 118.700 -0.139 0.000 2.741 128 N HA -0.197 4.543 4.740 0.001 0.000 0.250 128 N C -0.894 174.467 175.510 -0.249 0.000 1.115 128 N CA 0.994 53.938 53.050 -0.177 0.000 0.724 128 N CB -1.573 36.798 38.487 -0.193 0.000 1.090 128 N HN 0.737 9.117 8.380 -0.000 0.000 0.558 129 F N 0.840 120.752 119.950 -0.063 0.000 2.445 129 F HA 0.357 4.884 4.527 0.001 0.000 0.359 129 F C -1.358 174.414 175.800 -0.047 0.000 1.101 129 F CA -1.800 56.152 58.000 -0.081 0.000 1.177 129 F CB 0.622 39.535 39.000 -0.145 0.000 1.110 129 F HN -0.064 8.236 8.300 -0.000 0.000 0.522 130 P HA -0.019 4.401 4.420 -0.000 0.000 0.264 130 P C 0.598 177.933 177.300 0.059 0.000 1.193 130 P CA 0.217 63.356 63.100 0.065 0.000 0.763 130 P CB 0.732 32.461 31.700 0.048 0.000 0.810 131 S N 1.542 117.266 115.700 0.041 0.000 2.469 131 S HA -0.208 4.263 4.470 0.001 0.000 0.238 131 S C 0.993 175.596 174.600 0.004 0.000 0.998 131 S CA 1.587 59.803 58.200 0.026 0.000 0.957 131 S CB -0.937 62.276 63.200 0.022 0.000 0.764 131 S HN 0.599 8.909 8.310 -0.000 0.000 0.514 132 D N 0.288 120.688 120.400 0.001 0.000 2.369 132 D HA 0.326 4.967 4.640 0.001 0.000 0.211 132 D C 1.036 177.315 176.300 -0.035 0.000 1.077 132 D CA 0.060 54.050 54.000 -0.015 0.000 0.842 132 D CB -0.250 40.545 40.800 -0.007 0.000 0.947 132 D HN 0.424 8.794 8.370 -0.000 0.000 0.509 133 G N 0.996 109.776 108.800 -0.034 0.000 2.651 133 G HA2 0.260 4.220 3.960 0.001 0.000 0.260 133 G HA3 0.260 4.220 3.960 0.001 0.000 0.260 133 G C -1.530 173.268 174.900 -0.169 0.000 1.216 133 G CA -1.168 43.881 45.100 -0.085 0.000 0.913 133 G HN -0.099 8.191 8.290 -0.000 0.000 0.535 134 P HA -0.085 4.335 4.420 -0.000 0.000 0.218 134 P C 1.936 179.059 177.300 -0.295 0.000 1.148 134 P CA 0.431 63.310 63.100 -0.370 0.000 0.822 134 P CB 0.131 31.423 31.700 -0.680 0.000 0.784 135 V N -0.932 118.805 119.914 -0.294 0.000 2.283 135 V HA -0.194 3.927 4.120 0.001 0.000 0.243 135 V C 2.240 178.229 176.094 -0.175 0.000 1.039 135 V CA 1.688 63.835 62.300 -0.254 0.000 1.016 135 V CB -1.026 30.523 31.823 -0.457 0.000 0.650 135 V HN 0.074 8.264 8.190 -0.000 0.000 0.449 136 M N -0.628 118.893 119.600 -0.131 0.000 2.476 136 M HA -0.037 4.444 4.480 0.001 0.000 0.262 136 M C 1.931 178.188 176.300 -0.071 0.000 1.079 136 M CA 1.206 56.467 55.300 -0.066 0.000 1.104 136 M CB -1.048 31.537 32.600 -0.025 0.000 1.409 136 M HN 0.336 8.626 8.290 -0.000 0.000 0.467 137 Q N 0.892 120.636 119.800 -0.093 0.000 2.319 137 Q HA 0.101 4.442 4.340 0.001 0.000 0.202 137 Q C -0.365 175.574 176.000 -0.102 0.000 0.896 137 Q CA 0.239 55.990 55.803 -0.086 0.000 0.942 137 Q CB 0.207 28.896 28.738 -0.082 0.000 1.083 137 Q HN 0.343 8.613 8.270 -0.000 0.000 0.510 138 K N 0.443 120.766 120.400 -0.129 0.000 3.393 138 K HA -0.181 4.140 4.320 0.001 0.000 0.272 138 K C -0.398 176.124 176.600 -0.131 0.000 1.004 138 K CA 0.466 56.663 56.287 -0.150 0.000 0.764 138 K CB -0.780 31.627 32.500 -0.155 0.000 1.373 138 K HN 0.088 8.338 8.250 -0.000 0.000 0.458 139 K N 0.247 120.564 120.400 -0.138 0.000 2.397 139 K HA 0.029 4.350 4.320 0.001 0.000 0.202 139 K C 0.763 177.295 176.600 -0.114 0.000 1.022 139 K CA 0.408 56.626 56.287 -0.115 0.000 1.141 139 K CB 0.768 33.197 32.500 -0.118 0.000 0.857 139 K HN 0.577 8.827 8.250 -0.000 0.000 0.514 140 T N -2.039 112.438 114.554 -0.128 0.000 2.934 140 T HA 0.569 4.920 4.350 0.001 0.000 0.283 140 T C 0.554 175.194 174.700 -0.099 0.000 1.005 140 T CA -0.700 61.329 62.100 -0.117 0.000 1.041 140 T CB 1.468 70.253 68.868 -0.138 0.000 1.042 140 T HN -0.026 8.214 8.240 -0.000 0.000 0.505 141 M N 1.724 121.276 119.600 -0.081 0.000 3.189 141 M HA 0.434 4.915 4.480 0.001 0.000 0.365 141 M C 0.544 176.839 176.300 -0.008 0.000 1.447 141 M CA -0.304 54.978 55.300 -0.030 0.000 0.739 141 M CB 0.678 33.271 32.600 -0.012 0.000 1.411 141 M HN 1.293 9.583 8.290 -0.000 0.000 0.494 142 G N 0.086 108.854 108.800 -0.054 0.000 2.699 142 G HA2 -0.168 3.793 3.960 0.001 0.000 0.686 142 G HA3 -0.168 3.793 3.960 0.001 0.000 0.686 142 G C -1.374 173.501 174.900 -0.042 0.000 1.301 142 G CA -1.132 43.971 45.100 0.006 0.000 0.816 142 G HN 0.456 8.746 8.290 -0.000 0.000 0.595 143 W N 0.589 121.975 121.300 0.143 0.000 2.359 143 W HA 0.623 5.283 4.660 0.001 0.000 0.344 143 W C 0.846 177.424 176.519 0.099 0.000 1.170 143 W CA -0.584 56.830 57.345 0.117 0.000 1.296 143 W CB 0.710 30.215 29.460 0.074 0.000 1.197 143 W HN 0.524 8.704 8.180 -0.000 0.000 0.618 144 E N 0.858 121.278 120.200 0.368 0.000 2.345 144 E HA 0.405 4.755 4.350 0.001 0.000 0.259 144 E C 0.014 176.718 176.600 0.173 0.000 1.117 144 E CA -0.352 56.190 56.400 0.236 0.000 0.913 144 E CB 0.940 30.762 29.700 0.204 0.000 1.057 144 E HN 0.478 8.838 8.360 -0.000 0.000 0.432 145 A N 1.428 124.312 122.820 0.106 0.000 2.466 145 A HA 0.299 4.619 4.320 0.001 0.000 0.238 145 A C 0.366 177.947 177.584 -0.005 0.000 1.074 145 A CA 0.154 52.218 52.037 0.044 0.000 0.774 145 A CB 0.131 19.152 19.000 0.036 0.000 1.015 145 A HN 0.579 8.729 8.150 -0.000 0.000 0.498 146 S N 0.008 115.665 115.700 -0.071 0.000 2.704 146 S HA 0.858 5.329 4.470 0.001 0.000 0.296 146 S C -0.571 173.958 174.600 -0.118 0.000 1.138 146 S CA -0.503 57.630 58.200 -0.113 0.000 0.875 146 S CB 1.865 64.932 63.200 -0.222 0.000 1.151 146 S HN 0.802 9.112 8.310 -0.000 0.000 0.500 147 T N 1.178 115.668 114.554 -0.107 0.000 3.050 147 T HA 0.418 4.768 4.350 0.001 0.000 0.310 147 T C -1.140 173.530 174.700 -0.050 0.000 0.978 147 T CA -0.465 61.592 62.100 -0.071 0.000 1.013 147 T CB 1.239 70.079 68.868 -0.046 0.000 1.000 147 T HN 0.741 8.981 8.240 -0.000 0.000 0.447 148 E N 2.574 122.709 120.200 -0.109 0.000 2.266 148 E HA 0.374 4.724 4.350 0.001 0.000 0.277 148 E C -0.196 176.263 176.600 -0.236 0.000 1.018 148 E CA -0.919 55.377 56.400 -0.175 0.000 0.840 148 E CB 0.769 30.322 29.700 -0.244 0.000 1.082 148 E HN 0.250 8.611 8.360 -0.000 0.000 0.395 149 R N 5.120 125.432 120.500 -0.314 0.000 2.265 149 R HA 0.304 4.644 4.340 0.001 0.000 0.328 149 R C -1.522 174.438 176.300 -0.566 0.000 0.969 149 R CA -0.529 55.175 56.100 -0.660 0.000 0.832 149 R CB -0.102 29.964 30.300 -0.390 0.000 1.139 149 R HN 0.491 8.761 8.270 -0.000 0.000 0.457 150 L N 5.627 126.389 121.223 -0.769 0.000 2.322 150 L HA 0.646 4.987 4.340 0.001 0.000 0.269 150 L C -0.752 175.895 176.870 -0.371 0.000 1.012 150 L CA -0.868 53.633 54.840 -0.564 0.000 0.815 150 L CB 1.440 43.117 42.059 -0.636 0.000 1.295 150 L HN 0.619 8.849 8.230 -0.000 0.000 0.438 151 Y N -0.598 119.573 120.300 -0.214 0.000 2.662 151 Y HA 0.704 5.255 4.550 0.001 0.000 0.334 151 Y C -3.183 172.691 175.900 -0.042 0.000 1.185 151 Y CA -2.425 55.632 58.100 -0.071 0.000 1.074 151 Y CB 0.804 39.264 38.460 0.001 0.000 1.330 151 Y HN 0.312 8.592 8.280 -0.000 0.000 0.458 152 P HA 0.506 4.926 4.420 -0.000 0.000 0.286 152 P C -1.298 176.064 177.300 0.104 0.000 1.261 152 P CA -0.346 62.739 63.100 -0.025 0.000 0.821 152 P CB 2.404 34.096 31.700 -0.012 0.000 1.013 153 R N 1.533 122.044 120.500 0.018 0.000 2.736 153 R HA 0.168 4.508 4.340 0.001 0.000 0.250 153 R C -1.117 175.195 176.300 0.020 0.000 1.098 153 R CA -0.313 55.833 56.100 0.077 0.000 0.978 153 R CB 0.568 30.985 30.300 0.196 0.000 1.263 153 R HN 0.334 8.604 8.270 -0.000 0.000 0.460 154 D N 2.782 123.199 120.400 0.028 0.000 2.751 154 D HA -0.182 4.459 4.640 0.001 0.000 0.233 154 D C 0.821 177.127 176.300 0.011 0.000 1.149 154 D CA 2.386 56.397 54.000 0.018 0.000 0.682 154 D CB -1.042 39.767 40.800 0.016 0.000 1.068 154 D HN 1.066 9.436 8.370 -0.000 0.000 0.429 155 G N -2.464 106.339 108.800 0.005 0.000 2.184 155 G HA2 -0.240 3.720 3.960 0.001 0.000 0.264 155 G HA3 -0.240 3.720 3.960 0.001 0.000 0.264 155 G C 0.538 175.437 174.900 -0.001 0.000 0.975 155 G CA 1.344 46.451 45.100 0.012 0.000 0.642 155 G HN 1.309 9.599 8.290 -0.000 0.000 0.536 156 V N -2.911 116.970 119.914 -0.054 0.000 3.182 156 V HA 0.938 5.058 4.120 0.001 0.000 0.311 156 V C 0.021 175.927 176.094 -0.313 0.000 1.221 156 V CA -1.200 61.029 62.300 -0.119 0.000 1.060 156 V CB 1.922 33.746 31.823 0.002 0.000 1.164 156 V HN 0.857 9.047 8.190 -0.000 0.000 0.466 157 L N 1.492 122.476 121.223 -0.398 0.000 2.313 157 L HA 0.678 5.018 4.340 0.001 0.000 0.283 157 L C -0.252 176.503 176.870 -0.193 0.000 1.013 157 L CA -0.103 54.512 54.840 -0.375 0.000 0.816 157 L CB 0.982 42.746 42.059 -0.491 0.000 1.236 157 L HN 0.839 9.069 8.230 -0.000 0.000 0.419 158 K N 3.428 123.561 120.400 -0.445 0.000 2.267 158 K HA 0.916 5.237 4.320 0.001 0.000 0.246 158 K C -0.689 175.551 176.600 -0.599 0.000 0.954 158 K CA -0.988 54.981 56.287 -0.530 0.000 0.824 158 K CB 2.180 34.281 32.500 -0.665 0.000 1.167 158 K HN 0.789 9.039 8.250 -0.000 0.000 0.431 159 G N 1.265 109.871 108.800 -0.324 0.000 2.742 159 G HA2 0.478 4.439 3.960 0.001 0.000 0.296 159 G HA3 0.478 4.439 3.960 0.001 0.000 0.296 159 G C -1.607 173.216 174.900 -0.129 0.000 1.436 159 G CA -0.480 44.487 45.100 -0.221 0.000 0.928 159 G HN 0.403 8.693 8.290 -0.000 0.000 0.520 160 E N -0.306 119.828 120.200 -0.110 0.000 2.312 160 E HA 0.757 5.108 4.350 0.001 0.000 0.267 160 E C -0.499 176.005 176.600 -0.160 0.000 0.894 160 E CA -0.575 55.760 56.400 -0.108 0.000 0.773 160 E CB 2.736 32.380 29.700 -0.093 0.000 1.241 160 E HN 0.530 8.890 8.360 -0.000 0.000 0.432 161 I N 0.487 120.948 120.570 -0.183 0.000 2.722 161 I HA 0.347 4.518 4.170 0.001 0.000 0.295 161 I C -0.899 175.062 176.117 -0.261 0.000 1.161 161 I CA -0.858 60.305 61.300 -0.228 0.000 1.032 161 I CB 2.044 39.855 38.000 -0.315 0.000 1.244 161 I HN 0.454 8.664 8.210 -0.000 0.000 0.421 162 H N 4.702 123.725 119.070 -0.077 0.000 2.724 162 H HA 0.394 4.950 4.556 0.001 0.000 0.278 162 H C -0.685 174.590 175.328 -0.089 0.000 1.159 162 H CA -0.380 55.636 56.048 -0.053 0.000 1.254 162 H CB 0.895 30.640 29.762 -0.028 0.000 1.412 162 H HN 0.364 8.644 8.280 -0.000 0.000 0.488 163 K N 1.608 122.003 120.400 -0.007 0.000 2.210 163 K HA 0.860 5.181 4.320 0.001 0.000 0.236 163 K C -0.809 175.907 176.600 0.193 0.000 1.016 163 K CA -1.094 55.185 56.287 -0.012 0.000 0.913 163 K CB 1.828 34.111 32.500 -0.361 0.000 1.141 163 K HN 0.506 8.756 8.250 -0.000 0.000 0.462 164 A N 1.392 124.421 122.820 0.348 0.000 2.517 164 A HA 0.469 4.789 4.320 0.001 0.000 0.297 164 A C -1.518 176.264 177.584 0.330 0.000 1.050 164 A CA -0.715 51.507 52.037 0.309 0.000 0.694 164 A CB 0.781 19.888 19.000 0.179 0.000 1.277 164 A HN 0.550 8.700 8.150 -0.000 0.000 0.400 165 L N 2.211 123.500 121.223 0.110 0.000 2.295 165 L HA 0.413 4.754 4.340 0.001 0.000 0.285 165 L C 0.189 177.086 176.870 0.045 0.000 1.035 165 L CA -0.601 54.167 54.840 -0.120 0.000 0.806 165 L CB 1.733 43.620 42.059 -0.286 0.000 1.214 165 L HN 0.720 8.950 8.230 -0.000 0.000 0.426 166 K N 3.929 124.312 120.400 -0.028 0.000 2.298 166 K HA 0.424 4.745 4.320 0.001 0.000 0.280 166 K C -0.856 175.684 176.600 -0.099 0.000 1.032 166 K CA -0.238 55.974 56.287 -0.126 0.000 0.958 166 K CB 0.836 33.280 32.500 -0.093 0.000 0.978 166 K HN 0.407 8.657 8.250 -0.000 0.000 0.472 167 L N 3.783 124.935 121.223 -0.118 0.000 2.309 167 L HA 0.189 4.529 4.340 0.001 0.000 0.282 167 L C 1.395 178.222 176.870 -0.073 0.000 1.036 167 L CA -0.755 54.039 54.840 -0.077 0.000 0.806 167 L CB 1.228 43.255 42.059 -0.053 0.000 1.220 167 L HN 0.569 8.799 8.230 -0.000 0.000 0.429 168 K N 1.149 121.513 120.400 -0.060 0.000 2.032 168 K HA -0.187 4.134 4.320 0.001 0.000 0.218 168 K C 0.684 177.262 176.600 -0.037 0.000 1.054 168 K CA 1.690 57.951 56.287 -0.042 0.000 0.941 168 K CB -0.117 32.360 32.500 -0.039 0.000 0.720 168 K HN 0.634 8.884 8.250 -0.000 0.000 0.449 169 D N 0.481 120.859 120.400 -0.037 0.000 2.323 169 D HA 0.140 4.780 4.640 0.001 0.000 0.239 169 D C 0.653 176.937 176.300 -0.027 0.000 1.129 169 D CA 0.514 54.497 54.000 -0.027 0.000 0.865 169 D CB -0.089 40.697 40.800 -0.024 0.000 0.913 169 D HN 0.366 8.736 8.370 -0.000 0.000 0.517 170 G N -0.391 108.383 108.800 -0.043 0.000 2.675 170 G HA2 0.356 4.316 3.960 0.001 0.000 0.686 170 G HA3 0.356 4.316 3.960 0.001 0.000 0.686 170 G C 0.228 175.095 174.900 -0.056 0.000 1.215 170 G CA -0.480 44.590 45.100 -0.050 0.000 0.777 170 G HN 0.713 9.003 8.290 -0.000 0.000 0.638 171 G N 0.310 109.059 108.800 -0.085 0.000 2.728 171 G HA2 0.372 4.332 3.960 0.001 0.000 0.294 171 G HA3 0.372 4.332 3.960 0.001 0.000 0.294 171 G C -0.476 174.318 174.900 -0.177 0.000 1.342 171 G CA 0.635 45.713 45.100 -0.037 0.000 0.866 171 G HN 2.081 10.370 8.290 -0.000 0.000 0.534 172 H N -1.687 117.433 119.070 0.083 0.000 2.771 172 H HA 0.674 5.231 4.556 0.001 0.000 0.367 172 H C -0.964 174.478 175.328 0.191 0.000 1.172 172 H CA -0.408 55.708 56.048 0.113 0.000 1.186 172 H CB 1.844 31.662 29.762 0.093 0.000 1.790 172 H HN 0.735 9.015 8.280 -0.000 0.000 0.556 173 Y N 2.128 122.536 120.300 0.181 0.000 2.376 173 Y HA 0.362 4.912 4.550 0.001 0.000 0.326 173 Y C -1.538 174.478 175.900 0.194 0.000 0.970 173 Y CA -1.173 57.021 58.100 0.157 0.000 1.248 173 Y CB 0.267 38.796 38.460 0.114 0.000 1.117 173 Y HN 0.471 8.751 8.280 -0.000 0.000 0.476 174 L N 6.809 128.023 121.223 -0.014 0.000 2.380 174 L HA 0.596 4.937 4.340 0.001 0.000 0.273 174 L C -0.656 176.090 176.870 -0.206 0.000 1.138 174 L CA -0.825 53.981 54.840 -0.056 0.000 0.832 174 L CB 0.722 42.792 42.059 0.018 0.000 1.124 174 L HN 0.359 8.589 8.230 -0.000 0.000 0.454 175 V N 2.192 122.054 119.914 -0.086 0.000 2.733 175 V HA 0.290 4.411 4.120 0.001 0.000 0.306 175 V C -0.388 175.725 176.094 0.031 0.000 1.084 175 V CA -0.730 61.456 62.300 -0.190 0.000 0.905 175 V CB 1.994 33.680 31.823 -0.229 0.000 1.010 175 V HN 0.779 8.969 8.190 -0.000 0.000 0.424 176 E N 3.341 123.528 120.200 -0.022 0.000 2.197 176 E HA 0.536 4.886 4.350 0.001 0.000 0.281 176 E C -1.763 174.888 176.600 0.085 0.000 0.995 176 E CA -0.529 55.895 56.400 0.040 0.000 0.808 176 E CB 1.068 30.762 29.700 -0.011 0.000 1.093 176 E HN 0.466 8.826 8.360 -0.000 0.000 0.394 177 F N 3.200 123.008 119.950 -0.236 0.000 2.420 177 F HA 0.409 4.936 4.527 0.001 0.000 0.342 177 F C 0.130 175.807 175.800 -0.204 0.000 1.113 177 F CA -0.714 57.152 58.000 -0.225 0.000 1.059 177 F CB 1.579 40.429 39.000 -0.249 0.000 1.128 177 F HN 0.285 8.585 8.300 -0.000 0.000 0.475 178 K N 2.607 122.965 120.400 -0.071 0.000 2.579 178 K HA 0.542 4.863 4.320 0.001 0.000 0.250 178 K C -1.083 175.432 176.600 -0.143 0.000 0.952 178 K CA -0.467 55.763 56.287 -0.096 0.000 0.857 178 K CB 1.899 34.343 32.500 -0.094 0.000 1.123 178 K HN 0.539 8.789 8.250 -0.000 0.000 0.433 179 S N 2.271 117.854 115.700 -0.195 0.000 2.568 179 S HA 0.618 5.088 4.470 0.001 0.000 0.302 179 S C -0.606 173.706 174.600 -0.480 0.000 1.082 179 S CA -0.793 57.192 58.200 -0.359 0.000 1.009 179 S CB 1.162 64.040 63.200 -0.537 0.000 1.069 179 S HN 0.356 8.666 8.310 -0.000 0.000 0.500 180 I N 2.153 122.420 120.570 -0.506 0.000 2.468 180 I HA 0.330 4.501 4.170 0.001 0.000 0.285 180 I C -1.566 174.343 176.117 -0.347 0.000 1.039 180 I CA -0.372 60.711 61.300 -0.362 0.000 1.074 180 I CB 0.879 38.787 38.000 -0.152 0.000 1.228 180 I HN 0.512 8.722 8.210 -0.000 0.000 0.436 181 Y N 6.291 126.630 120.300 0.064 0.000 2.353 181 Y HA 0.671 5.221 4.550 0.001 0.000 0.340 181 Y C -0.029 176.029 175.900 0.264 0.000 0.972 181 Y CA -0.799 57.420 58.100 0.198 0.000 1.157 181 Y CB 1.159 39.660 38.460 0.068 0.000 1.157 181 Y HN 0.389 8.669 8.280 -0.000 0.000 0.495 182 M N 3.653 123.511 119.600 0.430 0.000 2.043 182 M HA 0.577 5.057 4.480 0.001 0.000 0.322 182 M C -0.208 176.256 176.300 0.273 0.000 0.962 182 M CA -0.693 54.802 55.300 0.325 0.000 0.927 182 M CB 1.400 34.104 32.600 0.174 0.000 1.466 182 M HN 0.730 9.020 8.290 -0.000 0.000 0.412 183 A N 2.854 125.776 122.820 0.171 0.000 2.462 183 A HA 0.221 4.542 4.320 0.001 0.000 0.243 183 A C 0.838 178.415 177.584 -0.013 0.000 1.076 183 A CA -0.159 51.814 52.037 -0.107 0.000 0.773 183 A CB 0.363 19.058 19.000 -0.509 0.000 1.010 183 A HN 0.949 9.099 8.150 -0.000 0.000 0.493 184 K N 0.459 120.831 120.400 -0.047 0.000 2.362 184 K HA -0.088 4.232 4.320 0.001 0.000 0.200 184 K C 0.250 176.832 176.600 -0.031 0.000 1.046 184 K CA 1.465 57.730 56.287 -0.036 0.000 0.952 184 K CB -0.183 32.280 32.500 -0.062 0.000 0.753 184 K HN 0.771 9.021 8.250 -0.000 0.000 0.466 185 K N 0.557 120.928 120.400 -0.048 0.000 2.468 185 K HA 0.293 4.613 4.320 0.001 0.000 0.252 185 K C -2.974 173.614 176.600 -0.020 0.000 0.932 185 K CA -2.090 54.180 56.287 -0.028 0.000 0.794 185 K CB 1.765 34.244 32.500 -0.035 0.000 1.241 185 K HN -0.309 7.941 8.250 -0.000 0.000 0.428 186 P HA -0.046 4.374 4.420 -0.000 0.000 0.263 186 P C 0.196 177.530 177.300 0.056 0.000 1.345 186 P CA -0.220 62.919 63.100 0.065 0.000 1.119 186 P CB 0.198 31.933 31.700 0.058 0.000 1.363 187 V N 0.994 120.940 119.914 0.053 0.000 3.234 187 V HA 0.392 4.512 4.120 0.001 0.000 0.317 187 V C 0.544 176.729 176.094 0.151 0.000 1.081 187 V CA -1.280 61.038 62.300 0.029 0.000 1.037 187 V CB 0.489 32.247 31.823 -0.108 0.000 1.148 187 V HN 0.288 8.478 8.190 -0.000 0.000 0.453 188 Q N 0.500 120.359 119.800 0.098 0.000 2.315 188 Q HA 0.316 4.657 4.340 0.001 0.000 0.289 188 Q C -0.990 175.104 176.000 0.157 0.000 1.044 188 Q CA 0.259 56.120 55.803 0.097 0.000 0.920 188 Q CB 0.448 29.210 28.738 0.040 0.000 1.214 188 Q HN 0.647 8.917 8.270 -0.000 0.000 0.392 189 L N 6.243 127.500 121.223 0.055 0.000 2.331 189 L HA 0.593 4.934 4.340 0.001 0.000 0.275 189 L C -1.906 174.919 176.870 -0.076 0.000 1.022 189 L CA -1.980 52.820 54.840 -0.066 0.000 0.812 189 L CB 1.358 43.329 42.059 -0.146 0.000 1.257 189 L HN 0.647 8.877 8.230 -0.000 0.000 0.435 190 P HA 0.288 4.708 4.420 -0.000 0.000 0.297 190 P C -0.404 176.868 177.300 -0.046 0.000 1.307 190 P CA -0.329 62.676 63.100 -0.159 0.000 0.773 190 P CB 1.171 32.624 31.700 -0.411 0.000 1.265 191 G N -1.298 107.511 108.800 0.015 0.000 2.773 191 G HA2 0.208 4.169 3.960 0.001 0.000 0.186 191 G HA3 0.208 4.169 3.960 0.001 0.000 0.186 191 G C -1.139 173.925 174.900 0.274 0.000 1.411 191 G CA -0.476 44.714 45.100 0.150 0.000 1.054 191 G HN 0.471 8.761 8.290 -0.000 0.000 0.579 192 Y N 1.336 121.757 120.300 0.202 0.000 2.480 192 Y HA 0.462 5.012 4.550 0.001 0.000 0.341 192 Y C -0.210 175.869 175.900 0.298 0.000 1.031 192 Y CA -0.160 58.069 58.100 0.215 0.000 1.295 192 Y CB -0.065 38.494 38.460 0.165 0.000 1.162 192 Y HN 0.521 8.801 8.280 -0.000 0.000 0.523 193 Y N 3.316 123.477 120.300 -0.232 0.000 2.840 193 Y HA 0.680 5.231 4.550 0.001 0.000 0.324 193 Y C -2.389 173.230 175.900 -0.468 0.000 1.378 193 Y CA -2.344 55.668 58.100 -0.146 0.000 1.077 193 Y CB 0.806 39.232 38.460 -0.055 0.000 1.361 193 Y HN 0.348 8.628 8.280 -0.000 0.000 0.459 194 Y N -0.332 119.767 120.300 -0.335 0.000 2.570 194 Y HA 0.753 5.304 4.550 0.001 0.000 0.345 194 Y C -1.040 174.561 175.900 -0.498 0.000 1.014 194 Y CA -1.453 56.376 58.100 -0.452 0.000 1.063 194 Y CB 2.490 40.816 38.460 -0.224 0.000 1.272 194 Y HN 0.541 8.821 8.280 -0.000 0.000 0.477 195 V N 2.527 122.273 119.914 -0.280 0.000 2.524 195 V HA 0.284 4.404 4.120 0.001 0.000 0.297 195 V C -1.097 174.886 176.094 -0.185 0.000 1.035 195 V CA -0.992 61.145 62.300 -0.273 0.000 0.867 195 V CB 1.599 33.204 31.823 -0.362 0.000 1.004 195 V HN 0.699 8.889 8.190 -0.000 0.000 0.426 196 D N 2.808 123.116 120.400 -0.154 0.000 2.264 196 D HA 0.694 5.335 4.640 0.001 0.000 0.249 196 D C -0.283 175.935 176.300 -0.137 0.000 1.070 196 D CA 0.090 54.013 54.000 -0.128 0.000 0.912 196 D CB 2.000 42.739 40.800 -0.102 0.000 1.193 196 D HN 0.534 8.904 8.370 -0.000 0.000 0.427 197 S N 0.942 116.566 115.700 -0.128 0.000 2.537 197 S HA 0.461 4.932 4.470 0.001 0.000 0.270 197 S C -0.723 173.826 174.600 -0.084 0.000 1.142 197 S CA -0.958 57.165 58.200 -0.127 0.000 0.870 197 S CB 2.615 65.705 63.200 -0.182 0.000 1.112 197 S HN 0.372 8.682 8.310 -0.000 0.000 0.466 198 K N 2.281 122.651 120.400 -0.050 0.000 2.637 198 K HA 0.497 4.818 4.320 0.001 0.000 0.248 198 K C -1.829 174.788 176.600 0.027 0.000 0.971 198 K CA -0.470 55.828 56.287 0.018 0.000 0.858 198 K CB 1.087 33.631 32.500 0.074 0.000 1.170 198 K HN 0.688 8.938 8.250 -0.000 0.000 0.443 199 L N 4.301 125.562 121.223 0.064 0.000 2.296 199 L HA 0.515 4.855 4.340 0.001 0.000 0.286 199 L C -1.304 175.707 176.870 0.234 0.000 1.023 199 L CA -0.352 54.556 54.840 0.113 0.000 0.812 199 L CB 1.014 43.134 42.059 0.101 0.000 1.223 199 L HN 0.667 8.897 8.230 -0.000 0.000 0.421 200 D N 5.975 126.532 120.400 0.261 0.000 2.619 200 D HA 0.359 5.000 4.640 0.001 0.000 0.241 200 D C -0.488 175.987 176.300 0.292 0.000 1.087 200 D CA -0.351 53.819 54.000 0.284 0.000 0.851 200 D CB 2.864 43.834 40.800 0.282 0.000 1.474 200 D HN 0.278 8.648 8.370 -0.000 0.000 0.478 201 I N 2.228 122.964 120.570 0.278 0.000 2.322 201 I HA 0.019 4.190 4.170 0.001 0.000 0.292 201 I C 1.888 178.125 176.117 0.199 0.000 1.060 201 I CA 0.068 61.525 61.300 0.261 0.000 1.309 201 I CB 0.540 38.708 38.000 0.279 0.000 1.415 201 I HN 0.428 8.638 8.210 -0.000 0.000 0.492 202 T N 1.247 115.896 114.554 0.159 0.000 3.054 202 T HA 0.079 4.429 4.350 0.001 0.000 0.259 202 T C 0.777 175.494 174.700 0.028 0.000 1.092 202 T CA 0.025 62.182 62.100 0.094 0.000 1.121 202 T CB 0.351 69.270 68.868 0.084 0.000 0.912 202 T HN 0.478 8.718 8.240 -0.000 0.000 0.489 203 S N 0.519 116.227 115.700 0.013 0.000 2.543 203 S HA 0.566 5.037 4.470 0.001 0.000 0.274 203 S C -1.971 172.555 174.600 -0.123 0.000 1.149 203 S CA -0.790 57.352 58.200 -0.098 0.000 0.866 203 S CB 1.306 64.443 63.200 -0.104 0.000 1.111 203 S HN 0.949 9.259 8.310 -0.000 0.000 0.457 204 H N 0.282 119.177 119.070 -0.291 0.000 3.081 204 H HA 0.539 5.096 4.556 0.001 0.000 0.322 204 H C -0.976 174.083 175.328 -0.449 0.000 1.266 204 H CA -0.983 54.774 56.048 -0.484 0.000 1.279 204 H CB -0.165 29.105 29.762 -0.821 0.000 1.954 204 H HN 0.581 8.861 8.280 -0.000 0.000 0.530 205 N N 0.744 119.248 118.700 -0.327 0.000 2.413 205 N HA 0.076 4.817 4.740 0.001 0.000 0.266 205 N C 0.959 176.372 175.510 -0.163 0.000 1.238 205 N CA -0.497 52.405 53.050 -0.247 0.000 0.972 205 N CB 0.545 38.930 38.487 -0.170 0.000 1.210 205 N HN 0.820 9.200 8.380 -0.000 0.000 0.547 206 E N -0.370 119.775 120.200 -0.093 0.000 2.097 206 E HA -0.236 4.114 4.350 0.001 0.000 0.196 206 E C -0.029 176.611 176.600 0.066 0.000 1.000 206 E CA 1.677 58.078 56.400 0.002 0.000 0.804 206 E CB -0.260 29.439 29.700 -0.002 0.000 0.740 206 E HN 0.814 9.174 8.360 -0.000 0.000 0.454 207 D N -2.023 118.396 120.400 0.031 0.000 2.342 207 D HA -0.094 4.546 4.640 0.001 0.000 0.221 207 D C -0.193 176.208 176.300 0.169 0.000 1.101 207 D CA -0.446 53.614 54.000 0.099 0.000 0.837 207 D CB -0.786 40.030 40.800 0.026 0.000 0.938 207 D HN 0.098 8.468 8.370 -0.000 0.000 0.508 208 Y N 0.107 120.337 120.300 -0.116 0.000 3.589 208 Y HA -0.284 4.266 4.550 0.001 0.000 0.218 208 Y C 1.526 177.287 175.900 -0.231 0.000 1.234 208 Y CA 0.876 58.827 58.100 -0.247 0.000 1.576 208 Y CB -2.726 35.593 38.460 -0.235 0.000 1.487 208 Y HN 0.314 8.594 8.280 -0.000 0.000 0.616 209 T N -3.369 111.141 114.554 -0.074 0.000 3.065 209 T HA 0.381 4.732 4.350 0.001 0.000 0.252 209 T C 0.494 175.135 174.700 -0.099 0.000 1.099 209 T CA 0.464 62.543 62.100 -0.034 0.000 1.063 209 T CB 0.670 69.533 68.868 -0.009 0.000 0.948 209 T HN 0.321 8.561 8.240 -0.000 0.000 0.506 210 I N 1.617 122.068 120.570 -0.198 0.000 2.512 210 I HA 0.558 4.729 4.170 0.001 0.000 0.287 210 I C -1.354 174.562 176.117 -0.334 0.000 1.069 210 I CA -1.159 60.013 61.300 -0.213 0.000 1.056 210 I CB 2.532 40.442 38.000 -0.151 0.000 1.229 210 I HN -0.095 8.115 8.210 -0.000 0.000 0.429 211 V N 4.570 124.263 119.914 -0.369 0.000 3.049 211 V HA 0.500 4.620 4.120 0.001 0.000 0.309 211 V C -0.871 175.107 176.094 -0.193 0.000 1.148 211 V CA -0.698 61.358 62.300 -0.407 0.000 0.990 211 V CB 2.599 33.878 31.823 -0.906 0.000 1.039 211 V HN 0.765 8.955 8.190 -0.000 0.000 0.430 212 E N 1.697 121.841 120.200 -0.093 0.000 2.266 212 E HA 0.694 5.044 4.350 0.001 0.000 0.268 212 E C -1.352 175.312 176.600 0.106 0.000 0.879 212 E CA -0.541 55.863 56.400 0.006 0.000 0.762 212 E CB 2.207 31.903 29.700 -0.007 0.000 1.199 212 E HN 0.739 9.099 8.360 -0.000 0.000 0.422 213 Q N 2.005 121.909 119.800 0.173 0.000 2.451 213 Q HA 0.427 4.767 4.340 0.001 0.000 0.281 213 Q C -1.669 174.491 176.000 0.267 0.000 1.099 213 Q CA -1.115 54.839 55.803 0.252 0.000 0.806 213 Q CB 2.617 31.553 28.738 0.330 0.000 1.419 213 Q HN 0.584 8.854 8.270 -0.000 0.000 0.427 214 Y N 0.344 120.735 120.300 0.152 0.000 2.421 214 Y HA 0.441 4.991 4.550 0.001 0.000 0.339 214 Y C -1.527 174.455 175.900 0.137 0.000 0.996 214 Y CA -0.578 57.597 58.100 0.125 0.000 1.046 214 Y CB 1.895 40.411 38.460 0.093 0.000 1.226 214 Y HN 0.716 8.996 8.280 -0.000 0.000 0.445 215 E N 6.397 126.105 120.200 -0.820 0.000 2.272 215 E HA 0.426 4.776 4.350 0.001 0.000 0.269 215 E C -1.694 174.483 176.600 -0.706 0.000 0.877 215 E CA -1.108 54.937 56.400 -0.592 0.000 0.755 215 E CB 1.647 31.211 29.700 -0.227 0.000 1.192 215 E HN 0.822 9.182 8.360 -0.000 0.000 0.422 216 R N 2.669 122.946 120.500 -0.372 0.000 2.437 216 R HA 0.427 4.767 4.340 0.001 0.000 0.310 216 R C -1.584 174.649 176.300 -0.112 0.000 0.955 216 R CA -0.247 55.796 56.100 -0.094 0.000 0.851 216 R CB 1.950 32.355 30.300 0.175 0.000 1.161 216 R HN 0.501 8.771 8.270 -0.000 0.000 0.446 217 T N 2.468 116.938 114.554 -0.140 0.000 3.032 217 T HA 0.299 4.650 4.350 0.001 0.000 0.312 217 T C -1.760 172.839 174.700 -0.169 0.000 1.078 217 T CA -0.551 61.460 62.100 -0.149 0.000 1.028 217 T CB 1.356 70.131 68.868 -0.156 0.000 1.091 217 T HN 0.756 8.996 8.240 -0.000 0.000 0.457 218 E N 2.470 122.562 120.200 -0.179 0.000 2.331 218 E HA 0.615 4.966 4.350 0.001 0.000 0.275 218 E C -0.445 176.006 176.600 -0.247 0.000 0.895 218 E CA -0.907 55.368 56.400 -0.208 0.000 0.753 218 E CB 1.770 31.383 29.700 -0.146 0.000 1.216 218 E HN 0.827 9.187 8.360 -0.000 0.000 0.434 219 G N 2.250 110.831 108.800 -0.365 0.000 2.412 219 G HA2 0.703 4.664 3.960 0.001 0.000 0.318 219 G HA3 0.703 4.664 3.960 0.001 0.000 0.318 219 G C -0.773 174.053 174.900 -0.123 0.000 1.146 219 G CA -0.452 44.488 45.100 -0.267 0.000 0.882 219 G HN 0.622 8.912 8.290 -0.000 0.000 0.501 220 R N -0.298 120.207 120.500 0.008 0.000 2.741 220 R HA 0.318 4.659 4.340 0.001 0.000 0.276 220 R C -1.363 174.936 176.300 -0.001 0.000 1.028 220 R CA -1.026 55.037 56.100 -0.061 0.000 0.865 220 R CB 0.769 31.029 30.300 -0.066 0.000 1.268 220 R HN 0.494 8.764 8.270 -0.000 0.000 0.475 221 H N 0.446 119.531 119.070 0.025 0.000 2.546 221 H HA 0.144 4.700 4.556 0.001 0.000 0.365 221 H C -0.153 175.057 175.328 -0.197 0.000 1.220 221 H CA -0.116 55.896 56.048 -0.059 0.000 1.386 221 H CB 0.619 30.238 29.762 -0.239 0.000 1.510 221 H HN 0.432 8.712 8.280 -0.000 0.000 0.591 222 H N 1.944 120.862 119.070 -0.253 0.000 2.972 222 H HA -0.069 4.488 4.556 0.001 0.000 0.343 222 H C 1.046 176.082 175.328 -0.488 0.000 1.054 222 H CA 0.099 55.936 56.048 -0.351 0.000 1.412 222 H CB 0.642 30.319 29.762 -0.142 0.000 1.385 222 H HN 0.499 8.779 8.280 -0.000 0.000 0.600 223 L N 4.991 125.957 121.223 -0.429 0.000 2.551 223 L HA -0.181 4.160 4.340 0.001 0.000 0.230 223 L C 0.282 177.253 176.870 0.168 0.000 1.163 223 L CA 0.416 55.166 54.840 -0.150 0.000 0.826 223 L CB -0.510 41.442 42.059 -0.178 0.000 0.943 223 L HN 0.535 8.765 8.230 -0.000 0.000 0.452 224 F N -0.306 119.941 119.950 0.495 0.000 2.460 224 F HA -0.222 4.305 4.527 0.001 0.000 0.328 224 F C 0.426 176.345 175.800 0.197 0.000 1.081 224 F CA 0.091 58.295 58.000 0.340 0.000 1.136 224 F CB -1.680 37.413 39.000 0.154 0.000 1.527 224 F HN -0.093 8.207 8.300 -0.000 0.000 0.806 225 L N 0.000 121.483 121.223 0.433 0.000 2.949 225 L HA 0.000 4.341 4.340 0.001 0.000 0.249 225 L CA 0.000 54.980 54.840 0.233 0.000 0.813 225 L CB 0.000 42.191 42.059 0.220 0.000 0.961 225 L HN 0.000 8.230 8.230 -0.000 0.000 0.502