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 1e5u_1_I DATA FIRST_RESID 1 DATA SEQUENCE TLTIDDGNIE IVGTGVKGKL PTVWLQYGQV NLKASGGNGK YTWRSANPAI DATA SEQUENCE ASVDASSGQV TLKEKGTTTI SVISSDNQTA TYTIATPNSL IVPNMSKRVT DATA SEQUENCE YNDAVNTcKN FGGKLPSSQN ELENVFKAWG AANKYEYYKS SQTIISWVQQ DATA SEQUENCE TAQDAKSGVA STYDLVKQNP LNNIKASESN AYATcVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 4.369 4.350 0.031 0.000 0.228 1 T C 0.000 174.728 174.700 0.046 0.000 1.109 1 T CA 0.000 62.125 62.100 0.041 0.000 1.349 1 T CB 0.000 68.890 68.868 0.037 0.000 0.612 2 L N 5.259 126.507 121.223 0.041 0.000 2.276 2 L HA 0.918 5.757 4.340 0.053 -0.468 0.286 2 L C -0.634 176.242 176.870 0.011 0.000 1.061 2 L CA -1.076 53.785 54.840 0.034 0.000 0.807 2 L CB 1.543 43.616 42.059 0.024 0.000 1.177 2 L HN -0.174 8.077 8.230 0.035 0.000 0.429 3 T N 7.971 122.530 114.554 0.008 0.000 2.890 3 T HA 0.328 4.677 4.350 -0.003 0.000 0.295 3 T C -1.355 173.337 174.700 -0.014 0.000 0.993 3 T CA -0.949 61.150 62.100 -0.000 0.000 0.979 3 T CB 1.487 70.360 68.868 0.009 0.000 0.967 3 T HN -0.102 8.150 8.240 0.019 0.000 0.441 4 I N 3.929 124.483 120.570 -0.027 0.000 2.530 4 I HA 0.543 4.682 4.170 -0.046 0.003 0.297 4 I C -1.995 174.106 176.117 -0.027 0.000 1.011 4 I CA -2.015 59.258 61.300 -0.044 0.000 1.107 4 I CB 3.059 41.012 38.000 -0.078 0.000 1.285 4 I HN 0.166 8.364 8.210 -0.020 0.000 0.436 5 D N 3.528 123.912 120.400 -0.027 0.000 2.256 5 D HA 0.090 4.722 4.640 -0.013 0.000 0.250 5 D C -1.057 175.224 176.300 -0.031 0.000 1.093 5 D CA 0.457 54.445 54.000 -0.020 0.000 0.882 5 D CB 3.108 43.899 40.800 -0.015 0.000 1.185 5 D HN 0.388 8.629 8.370 -0.029 0.111 0.437 6 D N 4.331 124.716 120.400 -0.025 0.000 2.535 6 D HA 0.141 4.748 4.640 -0.055 0.000 0.229 6 D C 0.472 176.755 176.300 -0.027 0.000 1.238 6 D CA -0.370 53.609 54.000 -0.036 0.000 0.824 6 D CB 0.630 41.414 40.800 -0.026 0.000 1.045 6 D HN 0.247 8.607 8.370 -0.016 0.000 0.500 7 G N -0.753 108.035 108.800 -0.019 0.000 2.492 7 G HA2 -0.092 3.863 3.960 -0.009 0.000 0.214 7 G HA3 -0.092 3.862 3.960 -0.011 0.000 0.214 7 G C -0.055 174.835 174.900 -0.016 0.000 1.147 7 G CA 0.319 45.411 45.100 -0.013 0.000 0.809 7 G HN -0.125 8.155 8.290 -0.018 0.000 0.533 8 N N 0.698 119.385 118.700 -0.021 0.000 2.621 8 N HA 0.148 4.876 4.740 -0.018 0.000 0.237 8 N C -1.596 173.892 175.510 -0.036 0.000 0.997 8 N CA -0.407 52.630 53.050 -0.023 0.000 0.918 8 N CB 0.192 38.668 38.487 -0.019 0.000 1.122 8 N HN -0.336 8.030 8.380 -0.022 0.000 0.510 9 I N -0.452 120.093 120.570 -0.042 0.000 2.428 9 I HA 0.293 4.423 4.170 -0.067 0.000 0.296 9 I C -0.758 175.316 176.117 -0.070 0.000 0.985 9 I CA -1.839 59.424 61.300 -0.062 0.000 1.260 9 I CB 1.754 39.715 38.000 -0.065 0.000 1.389 9 I HN -0.481 7.753 8.210 -0.033 -0.043 0.484 10 E N 6.674 126.820 120.200 -0.089 0.000 2.081 10 E HA 0.531 4.978 4.350 -0.094 -0.153 0.281 10 E C -0.540 175.954 176.600 -0.175 0.000 0.986 10 E CA -1.328 55.006 56.400 -0.110 0.000 0.796 10 E CB 1.676 31.320 29.700 -0.095 0.000 1.085 10 E HN 0.435 8.644 8.360 -0.090 0.097 0.398 11 I N 6.999 127.450 120.570 -0.199 0.000 2.472 11 I HA 0.024 3.977 4.170 -0.361 0.000 0.290 11 I C 0.824 176.641 176.117 -0.500 0.000 1.016 11 I CA -1.163 59.938 61.300 -0.332 0.000 1.348 11 I CB 0.870 38.739 38.000 -0.219 0.000 1.417 11 I HN 0.238 8.359 8.210 -0.149 0.000 0.521 12 V N 5.537 124.904 119.914 -0.911 0.000 2.680 12 V HA -0.415 3.558 4.120 -0.717 -0.283 0.267 12 V C 1.615 177.395 176.094 -0.522 0.000 1.137 12 V CA 2.912 64.653 62.300 -0.930 0.000 1.143 12 V CB -0.045 30.627 31.823 -1.918 0.000 0.711 12 V HN 0.621 8.101 8.190 -1.184 0.000 0.490 13 G N -0.907 107.616 108.800 -0.462 0.000 2.190 13 G HA2 -0.295 3.476 3.960 -0.315 0.000 0.295 13 G HA3 -0.295 3.546 3.960 -0.423 -0.135 0.295 13 G C -0.249 174.513 174.900 -0.230 0.000 1.507 13 G CA 1.097 45.986 45.100 -0.351 0.000 1.034 13 G HN 0.054 7.908 8.290 -0.505 0.133 0.483 14 T N -0.350 114.114 114.554 -0.151 0.000 3.264 14 T HA -0.046 4.263 4.350 -0.069 0.000 0.257 14 T C 0.695 175.360 174.700 -0.057 0.000 0.976 14 T CA -0.744 61.311 62.100 -0.075 0.000 0.908 14 T CB -0.883 67.970 68.868 -0.025 0.000 1.082 14 T HN -0.158 7.999 8.240 -0.139 0.000 0.567 15 G N 2.127 110.872 108.800 -0.092 0.000 2.203 15 G HA2 -0.375 3.557 3.960 -0.047 0.000 0.231 15 G HA3 -0.375 3.530 3.960 -0.092 0.000 0.231 15 G C -1.349 173.517 174.900 -0.056 0.000 1.058 15 G CA 0.298 45.355 45.100 -0.071 0.000 0.781 15 G HN -0.334 7.788 8.290 -0.138 0.085 0.496 16 V N -3.040 116.834 119.914 -0.067 0.000 2.481 16 V HA 0.363 4.468 4.120 -0.024 0.000 0.286 16 V C -2.039 174.028 176.094 -0.045 0.000 1.042 16 V CA -2.758 59.520 62.300 -0.038 0.000 0.928 16 V CB 1.383 33.194 31.823 -0.019 0.000 0.986 16 V HN -0.669 7.463 8.190 -0.097 0.000 0.462 17 K N 4.451 124.833 120.400 -0.030 0.000 2.450 17 K HA 1.109 5.817 4.320 -0.043 -0.414 0.257 17 K C -1.057 175.533 176.600 -0.017 0.000 0.953 17 K CA -1.631 54.637 56.287 -0.031 0.000 0.844 17 K CB 2.027 34.508 32.500 -0.031 0.000 1.103 17 K HN 0.142 8.380 8.250 -0.020 0.000 0.429 18 G N 3.708 112.499 108.800 -0.014 0.000 3.507 18 G HA2 -0.022 3.942 3.960 0.005 0.000 0.162 18 G HA3 -0.022 3.936 3.960 -0.004 0.000 0.162 18 G C -2.405 172.494 174.900 -0.001 0.000 1.230 18 G CA 1.145 46.244 45.100 -0.003 0.000 1.412 18 G HN -0.086 8.191 8.290 -0.021 0.000 0.723 19 K N 0.058 120.464 120.400 0.010 0.000 2.156 19 K HA 0.208 4.532 4.320 0.006 0.000 0.254 19 K C -0.982 175.631 176.600 0.022 0.000 0.950 19 K CA -1.641 54.655 56.287 0.014 0.000 0.849 19 K CB 1.657 34.170 32.500 0.021 0.000 1.100 19 K HN -0.154 8.106 8.250 0.018 0.000 0.434 20 L N 5.600 126.836 121.223 0.020 0.000 2.315 20 L HA 0.349 4.712 4.340 0.039 0.000 0.283 20 L C -1.311 175.593 176.870 0.057 0.000 1.089 20 L CA -1.387 53.475 54.840 0.037 0.000 0.833 20 L CB -0.512 41.562 42.059 0.026 0.000 1.170 20 L HN 0.267 8.504 8.230 0.012 0.000 0.442 21 P HA 0.230 4.698 4.420 0.081 0.000 0.298 21 P C -0.440 176.917 177.300 0.095 0.000 1.367 21 P CA 0.389 63.548 63.100 0.097 0.000 0.821 21 P CB 0.839 32.626 31.700 0.145 0.000 2.025 22 T N -4.718 109.906 114.554 0.116 0.000 3.252 22 T HA 0.075 4.454 4.350 0.049 0.000 0.295 22 T C -1.863 172.876 174.700 0.066 0.000 0.897 22 T CA -0.013 62.134 62.100 0.077 0.000 0.905 22 T CB 0.819 69.731 68.868 0.075 0.000 1.202 22 T HN -0.144 8.190 8.240 0.157 0.000 0.592 23 V N -1.148 118.826 119.914 0.100 0.000 2.876 23 V HA 0.200 4.307 4.120 -0.023 0.000 0.312 23 V C -1.645 174.419 176.094 -0.049 0.000 1.085 23 V CA -2.720 59.580 62.300 -0.000 0.000 0.945 23 V CB 3.009 34.908 31.823 0.127 0.000 1.017 23 V HN -0.706 7.565 8.190 0.135 0.000 0.428 24 W N 2.857 123.916 121.300 -0.403 0.000 2.496 24 W HA 0.077 4.496 4.660 -0.401 0.000 0.327 24 W C -1.420 174.672 176.519 -0.711 0.000 1.086 24 W CA -1.532 55.548 57.345 -0.440 0.000 1.222 24 W CB 1.766 31.081 29.460 -0.241 0.000 1.304 24 W HN 0.186 8.267 8.180 -0.023 0.085 0.547 25 L N 2.921 123.793 121.223 -0.586 0.000 2.324 25 L HA 0.322 4.079 4.340 -0.971 0.000 0.274 25 L C -0.702 175.920 176.870 -0.413 0.000 1.012 25 L CA -1.796 52.578 54.840 -0.776 0.000 0.859 25 L CB -0.996 40.520 42.059 -0.906 0.000 1.224 25 L HN 0.220 8.255 8.230 -0.493 -0.101 0.429 26 Q N 0.164 119.773 119.800 -0.318 0.000 1.317 26 Q HA -0.202 3.951 4.340 -0.311 0.000 0.247 26 Q C -0.677 175.223 176.000 -0.167 0.000 1.056 26 Q CA 0.134 55.780 55.803 -0.262 0.000 0.747 26 Q CB -0.190 28.426 28.738 -0.204 0.000 4.036 26 Q HN 0.064 8.139 8.270 -0.325 0.000 0.349 27 Y N 0.770 121.044 120.300 -0.042 0.000 2.097 27 Y HA -0.244 4.322 4.550 0.026 0.000 0.282 27 Y C 0.529 176.450 175.900 0.036 0.000 1.152 27 Y CA 1.787 59.888 58.100 0.002 0.000 1.136 27 Y CB 0.668 39.121 38.460 -0.012 0.000 0.975 27 Y HN 0.157 8.314 8.280 -0.204 0.000 0.498 28 G N -5.445 103.436 108.800 0.135 0.000 2.599 28 G HA2 -0.173 4.111 3.960 0.264 0.000 0.235 28 G HA3 -0.173 3.778 3.960 -0.016 0.000 0.235 28 G C -3.090 171.666 174.900 -0.240 0.000 3.235 28 G CA -0.449 44.672 45.100 0.035 0.000 0.824 28 G HN -0.127 8.215 8.290 0.087 0.000 0.510 29 Q N 2.468 122.017 119.800 -0.419 0.000 2.331 29 Q HA 0.959 5.288 4.340 -0.281 -0.158 0.272 29 Q C -1.881 173.842 176.000 -0.462 0.000 1.062 29 Q CA -1.350 54.246 55.803 -0.345 0.000 0.806 29 Q CB 4.427 33.068 28.738 -0.160 0.000 1.312 29 Q HN -0.526 7.366 8.270 -0.451 0.108 0.431 30 V N 2.661 122.350 119.914 -0.375 0.000 2.962 30 V HA 0.691 4.662 4.120 -0.327 -0.047 0.313 30 V C -3.100 172.893 176.094 -0.169 0.000 1.099 30 V CA -2.708 59.402 62.300 -0.316 0.000 0.971 30 V CB 4.725 36.332 31.823 -0.361 0.000 1.028 30 V HN 1.292 9.204 8.190 -0.283 0.108 0.430 31 N N 4.229 122.849 118.700 -0.132 0.000 2.371 31 N HA 0.740 5.623 4.740 -0.058 -0.178 0.291 31 N C -2.312 173.153 175.510 -0.075 0.000 1.053 31 N CA -0.800 52.205 53.050 -0.076 0.000 0.870 31 N CB 3.251 41.706 38.487 -0.053 0.000 1.503 31 N HN 0.644 8.785 8.380 -0.147 0.151 0.485 32 L N 4.178 125.357 121.223 -0.074 0.000 2.330 32 L HA 0.317 4.604 4.340 -0.087 0.000 0.271 32 L C -1.797 175.032 176.870 -0.069 0.000 1.013 32 L CA -1.287 53.498 54.840 -0.091 0.000 0.816 32 L CB 4.433 46.410 42.059 -0.136 0.000 1.287 32 L HN 1.019 9.108 8.230 -0.063 0.103 0.435 33 K N 2.284 122.647 120.400 -0.061 0.000 2.268 33 K HA 0.137 4.457 4.320 -0.001 0.000 0.276 33 K C -1.688 174.868 176.600 -0.073 0.000 1.080 33 K CA -0.606 55.660 56.287 -0.036 0.000 0.910 33 K CB 0.261 32.751 32.500 -0.018 0.000 1.163 33 K HN -0.223 7.988 8.250 -0.065 0.000 0.465 34 A N 4.471 127.216 122.820 -0.126 0.000 2.398 34 A HA 0.325 4.699 4.320 -0.127 -0.130 0.301 34 A C -2.094 175.419 177.584 -0.118 0.000 1.041 34 A CA -1.032 50.872 52.037 -0.222 0.000 0.711 34 A CB 2.788 21.514 19.000 -0.457 0.000 1.240 34 A HN 0.108 8.203 8.150 -0.091 0.000 0.420 35 S N 3.095 118.815 115.700 0.033 0.000 2.532 35 S HA 0.336 5.156 4.470 0.583 0.000 0.301 35 S C 0.867 175.608 174.600 0.235 0.000 1.083 35 S CA -2.815 55.538 58.200 0.255 0.000 1.025 35 S CB 2.633 65.906 63.200 0.121 0.000 1.056 35 S HN -0.341 7.962 8.310 -0.011 0.000 0.494 36 G N 3.183 112.173 108.800 0.317 0.000 2.226 36 G HA2 -0.204 3.784 3.960 0.046 0.000 0.166 36 G HA3 -0.204 4.014 3.960 0.429 0.000 0.166 36 G C -1.044 173.945 174.900 0.149 0.000 1.629 36 G CA 0.894 46.140 45.100 0.244 0.000 1.008 36 G HN 0.536 9.018 8.290 0.320 0.000 0.410 37 G N -2.255 106.628 108.800 0.139 0.000 3.554 37 G HA2 0.179 4.207 3.960 0.114 0.000 0.168 37 G HA3 0.179 4.344 3.960 0.075 -0.161 0.168 37 G C -1.003 173.952 174.900 0.092 0.000 1.271 37 G CA 1.103 46.266 45.100 0.104 0.000 1.339 37 G HN 0.181 8.565 8.290 0.166 0.006 0.731 38 N N 0.769 119.530 118.700 0.102 0.000 2.482 38 N HA 0.104 4.884 4.740 0.066 0.000 0.179 38 N C -0.235 175.340 175.510 0.108 0.000 1.039 38 N CA 0.904 54.004 53.050 0.083 0.000 0.884 38 N CB 1.032 39.556 38.487 0.061 0.000 1.113 38 N HN 0.035 8.553 8.380 0.110 -0.072 0.440 39 G N -0.945 107.937 108.800 0.138 0.000 2.825 39 G HA2 0.129 4.136 3.960 0.078 0.000 0.191 39 G HA3 0.129 4.166 3.960 0.129 0.000 0.191 39 G C -1.881 173.117 174.900 0.163 0.000 1.708 39 G CA 0.043 45.221 45.100 0.129 0.000 0.813 39 G HN -0.652 7.609 8.290 0.138 0.112 0.799 40 K N 4.426 124.859 120.400 0.054 0.000 2.378 40 K HA -0.001 4.160 4.320 -0.264 0.000 0.288 40 K C -1.412 175.200 176.600 0.020 0.000 1.057 40 K CA -0.168 56.072 56.287 -0.079 0.000 0.971 40 K CB 0.284 32.748 32.500 -0.060 0.000 0.975 40 K HN -0.246 8.031 8.250 0.045 0.000 0.475 41 Y N 2.144 122.498 120.300 0.089 0.000 2.446 41 Y HA 0.427 5.254 4.550 0.180 -0.170 0.345 41 Y C -1.349 174.699 175.900 0.246 0.000 0.984 41 Y CA -3.581 54.636 58.100 0.195 0.000 1.058 41 Y CB 2.763 41.391 38.460 0.280 0.000 1.220 41 Y HN -0.413 7.211 8.280 -1.094 0.000 0.455 42 T N 3.122 117.947 114.554 0.452 0.000 2.824 42 T HA 0.244 4.746 4.350 0.253 0.000 0.282 42 T C -1.562 173.533 174.700 0.658 0.000 0.993 42 T CA -0.654 61.680 62.100 0.390 0.000 0.967 42 T CB 1.309 70.280 68.868 0.171 0.000 0.960 42 T HN -0.367 8.011 8.240 0.418 0.113 0.441 43 W N 3.868 125.243 121.300 0.126 0.000 2.666 43 W HA 0.456 5.305 4.660 0.100 -0.129 0.334 43 W C -0.416 176.144 176.519 0.069 0.000 1.051 43 W CA -1.342 56.066 57.345 0.106 0.000 1.224 43 W CB 2.654 32.189 29.460 0.125 0.000 1.405 43 W HN 0.342 8.849 8.180 0.545 0.000 0.513 44 R N 1.809 122.438 120.500 0.216 0.000 2.522 44 R HA 0.410 4.844 4.340 0.156 0.000 0.283 44 R C -1.838 174.528 176.300 0.109 0.000 1.074 44 R CA -0.317 55.870 56.100 0.145 0.000 0.925 44 R CB 4.116 34.477 30.300 0.102 0.000 1.205 44 R HN 0.643 8.994 8.270 0.134 0.000 0.436 45 S N 5.388 121.151 115.700 0.105 0.000 2.647 45 S HA 0.281 4.824 4.470 0.072 -0.029 0.300 45 S C -0.324 174.320 174.600 0.074 0.000 1.129 45 S CA -0.838 57.411 58.200 0.081 0.000 1.029 45 S CB 2.720 65.971 63.200 0.084 0.000 1.007 45 S HN 0.400 8.776 8.310 0.110 0.000 0.484 46 A N 3.459 126.325 122.820 0.077 0.000 3.790 46 A HA -0.397 3.931 4.320 0.092 0.047 0.269 46 A C -0.837 176.786 177.584 0.066 0.000 1.009 46 A CA 1.425 53.511 52.037 0.081 0.000 1.029 46 A CB -0.431 18.619 19.000 0.082 0.000 1.060 46 A HN 0.922 9.102 8.150 0.080 0.018 0.818 47 N N -4.260 114.477 118.700 0.062 0.000 4.234 47 N HA -0.180 4.594 4.740 0.055 0.000 0.327 47 N C -2.734 172.804 175.510 0.046 0.000 2.179 47 N CA -0.256 52.826 53.050 0.052 0.000 2.901 47 N CB -2.292 36.222 38.487 0.045 0.000 0.327 47 N HN -0.581 7.750 8.380 0.069 0.091 0.696 48 P HA 0.067 4.736 4.420 0.034 -0.228 0.219 48 P C 0.233 177.547 177.300 0.024 0.000 1.150 48 P CA 2.257 65.377 63.100 0.033 0.000 0.814 48 P CB 0.075 31.793 31.700 0.031 0.000 0.787 49 A N -2.864 119.970 122.820 0.023 0.000 2.076 49 A HA -0.174 4.153 4.320 0.012 0.000 0.220 49 A C 0.846 178.441 177.584 0.018 0.000 1.160 49 A CA 2.064 54.111 52.037 0.017 0.000 0.653 49 A CB -0.132 18.878 19.000 0.017 0.000 0.801 49 A HN 0.089 8.270 8.150 0.026 -0.015 0.455 50 I N -4.835 115.750 120.570 0.025 0.000 4.398 50 I HA 0.053 4.237 4.170 0.022 0.000 0.310 50 I C -1.643 174.492 176.117 0.030 0.000 1.232 50 I CA 0.115 61.432 61.300 0.029 0.000 1.312 50 I CB 2.915 40.939 38.000 0.040 0.000 1.347 50 I HN -0.356 7.914 8.210 0.030 -0.042 0.454 51 A N -0.564 122.276 122.820 0.033 0.000 2.423 51 A HA 0.652 5.079 4.320 0.018 -0.097 0.304 51 A C -2.249 175.348 177.584 0.022 0.000 1.104 51 A CA -1.837 50.217 52.037 0.027 0.000 0.757 51 A CB 3.523 22.549 19.000 0.043 0.000 1.313 51 A HN 0.419 8.483 8.150 0.037 0.108 0.423 52 S N 0.159 115.865 115.700 0.010 0.000 2.457 52 S HA 0.581 5.062 4.470 0.018 0.000 0.289 52 S C -1.390 173.226 174.600 0.026 0.000 1.163 52 S CA -0.065 58.142 58.200 0.012 0.000 1.078 52 S CB 0.936 64.132 63.200 -0.006 0.000 0.987 52 S HN 0.285 8.595 8.310 -0.001 0.000 0.482 53 V N 2.090 122.034 119.914 0.049 0.000 2.667 53 V HA 0.954 5.435 4.120 0.062 -0.323 0.308 53 V C -1.156 174.992 176.094 0.090 0.000 1.048 53 V CA -3.800 58.548 62.300 0.079 0.000 0.928 53 V CB 2.912 34.806 31.823 0.118 0.000 1.004 53 V HN 0.123 8.343 8.190 0.050 0.000 0.444 54 D N 3.420 123.886 120.400 0.111 0.000 2.313 54 D HA 0.119 4.782 4.640 0.038 0.000 0.239 54 D C -0.121 176.274 176.300 0.158 0.000 1.142 54 D CA -1.345 52.709 54.000 0.090 0.000 0.847 54 D CB 1.595 42.440 40.800 0.075 0.000 1.082 54 D HN -0.233 8.161 8.370 0.116 0.046 0.480 55 A N 6.636 129.443 122.820 -0.022 0.000 2.067 55 A HA -0.116 4.242 4.320 0.064 0.000 0.217 55 A C 0.059 176.902 177.584 -1.235 0.000 1.156 55 A CA 1.771 53.578 52.037 -0.382 0.000 0.683 55 A CB -0.121 18.678 19.000 -0.335 0.000 0.808 55 A HN 0.405 8.527 8.150 -0.047 0.000 0.455 56 S N -3.537 111.829 115.700 -0.557 0.000 2.614 56 S HA 0.089 4.069 4.470 -0.816 0.000 0.230 56 S C -1.227 173.348 174.600 -0.041 0.000 0.952 56 S CA 0.170 58.083 58.200 -0.479 0.000 0.949 56 S CB 0.043 63.088 63.200 -0.259 0.000 0.786 56 S HN -0.472 7.885 8.310 -0.270 -0.209 0.478 57 S N 0.035 115.910 115.700 0.292 0.000 2.482 57 S HA 0.059 4.759 4.470 0.384 0.000 0.295 57 S C -1.096 173.767 174.600 0.438 0.000 1.038 57 S CA 0.488 58.912 58.200 0.373 0.000 0.968 57 S CB 1.481 64.762 63.200 0.136 0.000 1.182 57 S HN -0.838 7.564 8.310 0.310 0.095 0.441 58 G N 3.915 112.900 108.800 0.309 0.000 2.444 58 G HA2 -0.292 3.699 3.960 -0.078 0.000 0.289 58 G HA3 -0.292 3.772 3.960 0.173 0.000 0.289 58 G C -2.182 172.765 174.900 0.079 0.000 0.814 58 G CA 0.893 46.050 45.100 0.094 0.000 1.820 58 G HN 0.204 8.614 8.290 0.200 0.000 0.453 59 Q N 5.415 125.287 119.800 0.119 0.000 2.357 59 Q HA 0.373 4.811 4.340 0.003 -0.096 0.266 59 Q C -1.925 174.093 176.000 0.029 0.000 1.021 59 Q CA -1.122 54.707 55.803 0.043 0.000 0.784 59 Q CB 2.776 31.543 28.738 0.048 0.000 1.243 59 Q HN 0.042 8.436 8.270 0.205 -0.001 0.465 60 V N 7.774 127.679 119.914 -0.015 0.000 2.459 60 V HA 0.317 4.451 4.120 0.023 0.000 0.295 60 V C -1.426 174.638 176.094 -0.050 0.000 1.029 60 V CA -2.883 59.412 62.300 -0.009 0.000 0.874 60 V CB 1.608 33.429 31.823 -0.003 0.000 0.985 60 V HN 1.344 9.393 8.190 -0.047 0.113 0.438 61 T N 4.891 119.431 114.554 -0.024 0.000 2.864 61 T HA 0.443 4.851 4.350 -0.087 -0.110 0.310 61 T C -1.328 173.376 174.700 0.006 0.000 1.040 61 T CA -1.458 60.618 62.100 -0.039 0.000 0.977 61 T CB -0.073 68.773 68.868 -0.037 0.000 0.976 61 T HN -0.107 8.134 8.240 0.002 0.000 0.459 62 L N 0.251 121.500 121.223 0.043 0.000 2.322 62 L HA 0.660 5.048 4.340 0.080 0.000 0.269 62 L C -1.533 175.431 176.870 0.157 0.000 1.012 62 L CA -1.579 53.332 54.840 0.118 0.000 0.815 62 L CB 2.770 44.952 42.059 0.205 0.000 1.295 62 L HN 0.828 8.968 8.230 0.001 0.091 0.438 63 K N -2.553 117.933 120.400 0.145 0.000 2.612 63 K HA 0.310 4.922 4.320 0.248 -0.144 0.199 63 K C -1.386 175.310 176.600 0.161 0.000 1.520 63 K CA -0.167 56.227 56.287 0.178 0.000 1.039 63 K CB 1.916 34.484 32.500 0.114 0.000 1.286 63 K HN 0.680 8.997 8.250 0.112 0.000 0.622 64 E N -2.635 117.634 120.200 0.114 0.000 3.843 64 E HA 0.073 4.464 4.350 0.069 0.000 0.391 64 E C -1.728 174.892 176.600 0.033 0.000 1.038 64 E CA 0.334 56.776 56.400 0.070 0.000 0.745 64 E CB 0.113 29.853 29.700 0.067 0.000 1.301 64 E HN -0.516 7.909 8.360 0.109 0.000 0.504 65 K N 1.829 122.238 120.400 0.014 0.000 2.159 65 K HA -0.009 4.307 4.320 -0.007 0.000 0.154 65 K C -1.139 175.455 176.600 -0.009 0.000 2.479 65 K CA 0.420 56.709 56.287 0.003 0.000 1.260 65 K CB 0.888 33.401 32.500 0.022 0.000 2.751 65 K HN 0.308 8.563 8.250 0.007 0.000 0.414 66 G N -0.355 108.444 108.800 -0.001 0.000 1.927 66 G HA2 -0.113 3.838 3.960 -0.015 0.000 0.076 66 G HA3 -0.113 3.828 3.960 -0.032 0.000 0.076 66 G C -1.550 173.344 174.900 -0.008 0.000 0.850 66 G CA 0.089 45.180 45.100 -0.015 0.000 1.089 66 G HN -0.292 8.009 8.290 0.018 0.000 0.317 67 T N 2.193 116.749 114.554 0.004 0.000 2.948 67 T HA 0.221 4.569 4.350 -0.004 0.000 0.285 67 T C -0.946 173.781 174.700 0.045 0.000 1.019 67 T CA -1.469 60.638 62.100 0.013 0.000 1.013 67 T CB 1.380 70.253 68.868 0.009 0.000 1.117 67 T HN -0.203 8.040 8.240 0.005 0.000 0.533 68 T N 0.739 115.333 114.554 0.067 0.000 2.824 68 T HA 0.233 4.634 4.350 0.086 0.000 0.282 68 T C -1.031 173.720 174.700 0.086 0.000 0.993 68 T CA -0.811 61.347 62.100 0.096 0.000 0.967 68 T CB 2.466 71.429 68.868 0.159 0.000 0.960 68 T HN -0.064 8.212 8.240 0.059 0.000 0.441 69 T N 5.995 120.594 114.554 0.075 0.000 2.749 69 T HA 0.162 4.556 4.350 0.074 0.000 0.287 69 T C -2.440 172.308 174.700 0.079 0.000 0.970 69 T CA -0.031 62.112 62.100 0.071 0.000 0.980 69 T CB 0.793 69.694 68.868 0.054 0.000 0.924 69 T HN 0.491 8.646 8.240 0.071 0.128 0.456 70 I N 8.657 129.283 120.570 0.093 0.000 2.478 70 I HA 0.752 5.157 4.170 0.074 -0.190 0.287 70 I C -2.859 173.313 176.117 0.090 0.000 1.042 70 I CA -2.652 58.701 61.300 0.088 0.000 1.067 70 I CB 3.519 41.572 38.000 0.088 0.000 1.233 70 I HN 0.852 9.033 8.210 0.106 0.092 0.431 71 S N 7.184 122.914 115.700 0.051 0.000 2.632 71 S HA 0.737 5.277 4.470 0.026 -0.054 0.289 71 S C -2.279 172.292 174.600 -0.048 0.000 1.115 71 S CA -1.783 56.428 58.200 0.018 0.000 0.889 71 S CB 2.536 65.751 63.200 0.025 0.000 1.116 71 S HN 1.150 9.355 8.310 0.053 0.137 0.486 72 V N 3.035 122.896 119.914 -0.089 0.000 2.655 72 V HA 0.465 4.527 4.120 -0.315 -0.131 0.301 72 V C -1.775 174.263 176.094 -0.093 0.000 1.082 72 V CA -1.003 61.160 62.300 -0.228 0.000 0.899 72 V CB 3.109 34.714 31.823 -0.363 0.000 1.014 72 V HN 0.353 8.369 8.190 -0.056 0.140 0.429 73 I N 6.537 127.118 120.570 0.018 0.000 2.441 73 I HA 0.251 4.594 4.170 0.051 -0.142 0.295 73 I C -1.326 174.905 176.117 0.192 0.000 0.994 73 I CA -2.151 59.210 61.300 0.102 0.000 1.144 73 I CB 3.398 41.482 38.000 0.140 0.000 1.314 73 I HN 1.026 9.163 8.210 0.070 0.115 0.445 74 S N 4.259 120.044 115.700 0.142 0.000 2.576 74 S HA 0.045 4.638 4.470 0.204 0.000 0.276 74 S C 1.609 176.359 174.600 0.250 0.000 1.339 74 S CA -0.621 57.688 58.200 0.181 0.000 1.039 74 S CB 1.260 64.521 63.200 0.101 0.000 0.902 74 S HN 0.168 8.463 8.310 0.090 0.069 0.516 75 S N 4.159 120.050 115.700 0.319 0.000 2.462 75 S HA -0.347 4.524 4.470 0.462 -0.124 0.243 75 S C -0.021 174.687 174.600 0.181 0.000 1.003 75 S CA 2.981 61.394 58.200 0.354 0.000 0.970 75 S CB -0.540 62.882 63.200 0.370 0.000 0.762 75 S HN 0.483 8.927 8.310 0.291 0.041 0.510 76 D N -1.518 118.963 120.400 0.134 0.000 2.340 76 D HA -0.052 4.633 4.640 0.075 0.000 0.220 76 D C -0.592 175.748 176.300 0.067 0.000 1.039 76 D CA -0.048 54.001 54.000 0.083 0.000 0.866 76 D CB 0.378 41.218 40.800 0.067 0.000 0.913 76 D HN -0.722 7.668 8.370 0.141 0.064 0.523 77 N N -2.173 116.575 118.700 0.081 0.000 3.069 77 N HA -0.342 4.437 4.740 0.064 0.000 0.246 77 N C -1.626 173.914 175.510 0.050 0.000 1.121 77 N CA 0.996 54.081 53.050 0.058 0.000 0.772 77 N CB -2.637 35.872 38.487 0.037 0.000 1.108 77 N HN 0.381 8.613 8.380 0.115 0.217 0.548 78 Q N -0.766 119.070 119.800 0.058 0.000 2.318 78 Q HA 0.079 4.435 4.340 0.026 0.000 0.222 78 Q C -1.443 174.575 176.000 0.030 0.000 1.003 78 Q CA -0.361 55.464 55.803 0.037 0.000 0.936 78 Q CB 1.998 30.757 28.738 0.036 0.000 1.204 78 Q HN -0.165 8.203 8.270 0.080 -0.049 0.524 79 T N -0.076 114.483 114.554 0.009 0.000 2.848 79 T HA 0.282 4.638 4.350 0.010 0.000 0.285 79 T C -1.725 172.958 174.700 -0.028 0.000 0.995 79 T CA -0.989 61.109 62.100 -0.002 0.000 0.970 79 T CB 1.549 70.413 68.868 -0.006 0.000 0.976 79 T HN -0.086 8.155 8.240 0.002 0.000 0.441 80 A N 5.756 128.553 122.820 -0.039 0.000 2.435 80 A HA 0.448 4.713 4.320 -0.092 0.000 0.304 80 A C -1.792 175.745 177.584 -0.078 0.000 1.064 80 A CA -0.930 51.064 52.037 -0.073 0.000 0.727 80 A CB 2.777 21.736 19.000 -0.068 0.000 1.284 80 A HN -0.038 8.096 8.150 -0.026 0.000 0.415 81 T N 0.179 114.646 114.554 -0.146 0.000 2.971 81 T HA 0.195 4.521 4.350 -0.039 0.000 0.304 81 T C -1.734 172.830 174.700 -0.226 0.000 1.038 81 T CA -0.552 61.477 62.100 -0.119 0.000 1.007 81 T CB 2.256 71.059 68.868 -0.108 0.000 1.055 81 T HN 0.027 8.132 8.240 -0.226 0.000 0.451 82 Y N 4.683 124.971 120.300 -0.021 0.000 2.330 82 Y HA 0.109 4.654 4.550 -0.008 0.000 0.324 82 Y C -2.156 173.747 175.900 0.005 0.000 1.093 82 Y CA -0.258 57.835 58.100 -0.011 0.000 1.103 82 Y CB 4.186 42.633 38.460 -0.022 0.000 1.183 82 Y HN 1.193 9.431 8.280 0.100 0.102 0.433 83 T N 4.337 119.019 114.554 0.213 0.000 2.841 83 T HA 0.431 4.996 4.350 0.121 -0.143 0.283 83 T C -1.084 173.689 174.700 0.122 0.000 1.000 83 T CA -2.255 59.923 62.100 0.129 0.000 0.977 83 T CB 1.524 70.436 68.868 0.073 0.000 0.979 83 T HN -0.010 8.358 8.240 0.213 0.000 0.446 84 I N 8.499 129.129 120.570 0.101 0.000 2.452 84 I HA -0.203 4.052 4.170 0.078 -0.038 0.287 84 I C -1.212 174.922 176.117 0.028 0.000 1.079 84 I CA 0.909 62.252 61.300 0.072 0.000 1.387 84 I CB -0.030 38.028 38.000 0.096 0.000 1.404 84 I HN 0.902 9.061 8.210 0.103 0.112 0.522 85 A N 8.639 131.465 122.820 0.010 0.000 1.786 85 A HA 0.079 4.391 4.320 -0.013 0.000 0.208 85 A C 0.139 177.703 177.584 -0.033 0.000 1.787 85 A CA 1.591 53.623 52.037 -0.009 0.000 1.125 85 A CB 0.955 19.960 19.000 0.009 0.000 1.082 85 A HN 0.479 8.671 8.150 0.017 -0.033 0.534 86 T N 0.530 115.069 114.554 -0.024 0.000 2.837 86 T HA 0.230 4.557 4.350 -0.039 0.000 0.248 86 T C -0.212 174.448 174.700 -0.067 0.000 1.033 86 T CA 0.255 62.333 62.100 -0.036 0.000 1.150 86 T CB -1.976 66.884 68.868 -0.013 0.000 0.865 86 T HN 0.233 8.470 8.240 -0.004 0.000 0.425 87 P HA -0.002 4.367 4.420 -0.084 0.000 0.317 87 P C -1.054 176.115 177.300 -0.220 0.000 1.316 87 P CA 0.025 63.071 63.100 -0.089 0.000 0.744 87 P CB 0.562 32.249 31.700 -0.022 0.000 1.521 88 N N -4.226 114.281 118.700 -0.320 0.000 2.681 88 N HA -0.241 3.746 4.740 -1.255 0.000 0.265 88 N C -1.760 173.087 175.510 -1.104 0.000 1.157 88 N CA 0.316 52.786 53.050 -0.967 0.000 0.674 88 N CB -0.389 37.661 38.487 -0.728 0.000 0.887 88 N HN 0.126 8.410 8.380 -0.160 0.000 0.557 89 S N -0.741 114.429 115.700 -0.884 0.000 2.610 89 S HA 0.017 4.266 4.470 -0.369 0.000 0.273 89 S C -1.034 173.289 174.600 -0.461 0.000 1.274 89 S CA -0.683 57.226 58.200 -0.485 0.000 1.023 89 S CB 0.932 64.006 63.200 -0.210 0.000 0.962 89 S HN -0.412 7.453 8.310 -0.743 0.000 0.523 90 L N 0.608 121.709 121.223 -0.204 0.000 2.436 90 L HA 0.220 4.594 4.340 0.057 0.000 0.268 90 L C -1.091 175.762 176.870 -0.028 0.000 0.974 90 L CA -1.425 53.392 54.840 -0.039 0.000 0.826 90 L CB 2.836 44.909 42.059 0.022 0.000 1.291 90 L HN -0.065 8.073 8.230 -0.154 0.000 0.406 91 I N 2.466 123.005 120.570 -0.053 0.000 2.377 91 I HA 0.767 5.182 4.170 0.000 -0.245 0.293 91 I C -0.820 175.241 176.117 -0.092 0.000 0.987 91 I CA -2.782 58.499 61.300 -0.031 0.000 1.185 91 I CB 0.294 38.314 38.000 0.034 0.000 1.341 91 I HN -0.244 7.916 8.210 -0.084 0.000 0.455 92 V N 4.717 124.548 119.914 -0.139 0.000 2.482 92 V HA 0.479 4.497 4.120 -0.170 0.000 0.295 92 V C -2.650 173.371 176.094 -0.122 0.000 1.026 92 V CA -3.985 58.180 62.300 -0.225 0.000 0.856 92 V CB 2.798 34.261 31.823 -0.601 0.000 1.001 92 V HN 1.160 9.150 8.190 -0.115 0.132 0.424 93 P HA 0.410 4.986 4.420 0.064 -0.118 0.292 93 P C -1.527 175.723 177.300 -0.085 0.000 1.287 93 P CA -1.594 61.489 63.100 -0.028 0.000 0.800 93 P CB 0.708 32.373 31.700 -0.058 0.000 0.945 94 N N 5.092 123.772 118.700 -0.033 0.000 2.564 94 N HA 0.268 4.981 4.740 -0.046 0.000 0.248 94 N C -1.429 174.081 175.510 -0.001 0.000 0.986 94 N CA -0.203 52.830 53.050 -0.029 0.000 0.921 94 N CB 1.639 40.117 38.487 -0.016 0.000 1.136 94 N HN 0.551 8.963 8.380 0.053 0.000 0.509 95 M N 0.346 119.926 119.600 -0.034 0.000 3.320 95 M HA 0.170 4.663 4.480 0.021 0.000 0.272 95 M C -1.762 174.526 176.300 -0.020 0.000 1.199 95 M CA 0.401 55.703 55.300 0.004 0.000 0.590 95 M CB -0.728 31.927 32.600 0.092 0.000 3.200 95 M HN 0.060 8.315 8.290 -0.057 0.000 0.378 96 S N -0.361 115.333 115.700 -0.009 0.000 2.423 96 S HA -0.123 4.335 4.470 -0.021 0.000 0.231 96 S C 0.665 175.271 174.600 0.010 0.000 1.014 96 S CA 1.292 59.489 58.200 -0.005 0.000 0.965 96 S CB 0.258 63.461 63.200 0.005 0.000 0.785 96 S HN 0.130 8.439 8.310 -0.002 0.000 0.495 97 K N -0.784 119.630 120.400 0.024 0.000 2.400 97 K HA 0.160 4.502 4.320 0.038 0.000 0.246 97 K C -1.575 175.067 176.600 0.069 0.000 0.995 97 K CA -1.576 54.736 56.287 0.040 0.000 0.840 97 K CB 2.168 34.687 32.500 0.032 0.000 1.293 97 K HN -0.619 7.617 8.250 0.022 0.027 0.445 98 R N -0.050 120.504 120.500 0.090 0.000 2.619 98 R HA -0.273 4.179 4.340 0.186 0.000 0.268 98 R C -0.248 176.124 176.300 0.121 0.000 0.990 98 R CA 1.294 57.478 56.100 0.140 0.000 1.092 98 R CB 0.002 30.381 30.300 0.132 0.000 0.935 98 R HN 0.103 8.419 8.270 0.076 0.000 0.415 99 V N -3.007 116.993 119.914 0.143 0.000 3.159 99 V HA 0.299 4.417 4.120 -0.004 0.000 0.308 99 V C -0.857 175.128 176.094 -0.183 0.000 1.190 99 V CA -3.382 58.913 62.300 -0.009 0.000 1.037 99 V CB 2.721 34.513 31.823 -0.052 0.000 1.060 99 V HN -0.530 7.800 8.190 0.233 0.000 0.437 100 T N 0.460 114.787 114.554 -0.378 0.000 2.936 100 T HA 0.228 4.040 4.350 -0.896 0.000 0.282 100 T C 0.826 174.721 174.700 -1.341 0.000 1.003 100 T CA -2.390 59.213 62.100 -0.829 0.000 1.005 100 T CB 2.132 70.841 68.868 -0.264 0.000 1.097 100 T HN -0.177 7.911 8.240 -0.253 0.000 0.532 101 Y N 5.079 124.178 120.300 -2.001 0.000 2.097 101 Y HA -0.369 3.652 4.550 -0.880 0.000 0.282 101 Y C 1.013 176.664 175.900 -0.415 0.000 1.152 101 Y CA 4.144 61.667 58.100 -0.960 0.000 1.136 101 Y CB 0.454 38.709 38.460 -0.341 0.000 0.975 101 Y HN 0.310 7.083 8.280 -2.512 0.000 0.498 102 N N -2.477 115.765 118.700 -0.763 0.000 2.171 102 N HA -0.291 3.805 4.740 -1.074 0.000 0.184 102 N C 2.018 177.274 175.510 -0.423 0.000 1.021 102 N CA 3.264 55.901 53.050 -0.687 0.000 0.854 102 N CB -0.511 37.833 38.487 -0.238 0.000 0.994 102 N HN -0.497 7.710 8.380 -0.289 0.000 0.426 103 D N 0.409 120.619 120.400 -0.316 0.000 2.097 103 D HA -0.180 4.364 4.640 -0.159 0.000 0.195 103 D C 1.460 177.633 176.300 -0.213 0.000 0.989 103 D CA 2.960 56.835 54.000 -0.209 0.000 0.827 103 D CB -0.027 40.676 40.800 -0.162 0.000 0.966 103 D HN -0.682 7.498 8.370 -0.317 0.000 0.456 104 A N -0.614 122.039 122.820 -0.278 0.000 1.929 104 A HA -0.254 3.990 4.320 -0.126 0.000 0.216 104 A C 1.865 179.333 177.584 -0.193 0.000 1.176 104 A CA 3.122 55.037 52.037 -0.204 0.000 0.628 104 A CB -0.354 18.498 19.000 -0.246 0.000 0.816 104 A HN -0.455 7.472 8.150 -0.371 0.000 0.444 105 V N -0.063 119.662 119.914 -0.315 0.000 2.332 105 V HA -0.551 3.472 4.120 -0.162 0.000 0.248 105 V C 1.828 177.825 176.094 -0.161 0.000 1.055 105 V CA 5.081 67.222 62.300 -0.266 0.000 1.038 105 V CB -0.187 31.312 31.823 -0.540 0.000 0.651 105 V HN 0.117 7.925 8.190 -0.461 0.105 0.450 106 N N -1.853 116.743 118.700 -0.173 0.000 2.061 106 N HA -0.301 4.390 4.740 -0.082 0.000 0.193 106 N C 2.376 177.864 175.510 -0.036 0.000 1.030 106 N CA 3.452 56.447 53.050 -0.093 0.000 0.856 106 N CB -0.046 38.383 38.487 -0.096 0.000 1.023 106 N HN -0.329 7.908 8.380 -0.239 0.000 0.424 107 T N 2.371 116.904 114.554 -0.034 0.000 2.770 107 T HA -0.239 4.139 4.350 0.047 0.000 0.263 107 T C 1.548 176.292 174.700 0.073 0.000 1.039 107 T CA 4.104 66.219 62.100 0.025 0.000 1.142 107 T CB -0.258 68.612 68.868 0.004 0.000 0.868 107 T HN -0.747 7.445 8.240 -0.073 0.003 0.435 108 c N 2.687 121.303 118.600 0.026 0.000 2.442 108 c HA -0.236 4.346 4.570 0.020 0.000 0.279 108 c C 2.837 176.991 174.090 0.107 0.000 1.237 108 c CA 2.759 59.114 56.329 0.042 0.000 1.722 108 c CB -1.462 41.053 42.510 0.008 0.000 2.056 108 c HN 0.753 8.851 8.230 -0.021 0.120 0.469 109 K N 0.673 121.111 120.400 0.064 0.000 2.211 109 K HA -0.278 4.272 4.320 0.098 -0.171 0.203 109 K C 2.288 178.946 176.600 0.097 0.000 1.050 109 K CA 2.778 59.111 56.287 0.078 0.000 0.945 109 K CB -0.678 31.842 32.500 0.033 0.000 0.732 109 K HN 0.066 8.327 8.250 0.018 0.000 0.451 110 N N -1.025 117.730 118.700 0.091 0.000 2.430 110 N HA -0.183 4.577 4.740 0.034 0.000 0.186 110 N C 1.242 176.806 175.510 0.090 0.000 1.032 110 N CA 2.387 55.479 53.050 0.070 0.000 0.893 110 N CB -0.372 38.152 38.487 0.062 0.000 0.957 110 N HN -0.455 7.855 8.380 0.076 0.116 0.442 111 F N -0.693 119.257 119.950 -0.001 0.000 2.748 111 F HA -0.058 4.472 4.527 0.005 0.000 0.299 111 F C 0.278 176.078 175.800 0.001 0.000 1.154 111 F CA 0.823 58.826 58.000 0.005 0.000 1.446 111 F CB 0.534 39.542 39.000 0.013 0.000 1.112 111 F HN -0.398 7.897 8.300 0.317 0.195 0.584 112 G N -2.746 106.131 108.800 0.127 0.000 2.143 112 G HA2 -0.324 3.651 3.960 0.026 0.000 0.249 112 G HA3 -0.324 3.662 3.960 0.044 0.000 0.249 112 G C -0.582 174.383 174.900 0.108 0.000 0.981 112 G CA -0.291 44.850 45.100 0.070 0.000 0.665 112 G HN 0.263 8.428 8.290 0.130 0.203 0.528 113 G N -2.077 106.819 108.800 0.160 0.000 2.820 113 G HA2 0.471 4.516 3.960 0.141 0.000 0.291 113 G HA3 0.471 4.490 3.960 0.097 0.000 0.291 113 G C -2.134 172.821 174.900 0.092 0.000 1.323 113 G CA -1.452 43.722 45.100 0.124 0.000 1.055 113 G HN -0.630 7.738 8.290 0.211 0.049 0.520 114 K N -2.990 117.458 120.400 0.080 0.000 2.409 114 K HA 0.405 4.769 4.320 0.074 0.000 0.252 114 K C -1.171 175.478 176.600 0.082 0.000 1.036 114 K CA -1.466 54.866 56.287 0.075 0.000 0.871 114 K CB 4.468 37.008 32.500 0.066 0.000 1.374 114 K HN -0.425 7.872 8.250 0.078 0.000 0.459 115 L N 0.832 122.108 121.223 0.089 0.000 2.421 115 L HA 0.334 4.892 4.340 0.106 -0.155 0.263 115 L C -0.995 175.934 176.870 0.098 0.000 1.122 115 L CA -2.543 52.359 54.840 0.103 0.000 0.804 115 L CB -0.338 41.794 42.059 0.123 0.000 1.150 115 L HN 0.114 8.397 8.230 0.088 0.000 0.457 116 P HA 0.153 4.626 4.420 0.089 0.000 0.272 116 P C -1.300 176.049 177.300 0.082 0.000 1.223 116 P CA -0.980 62.176 63.100 0.094 0.000 0.784 116 P CB 0.945 32.707 31.700 0.103 0.000 0.923 117 S N -0.570 115.171 115.700 0.068 0.000 2.423 117 S HA -0.192 4.311 4.470 0.054 0.000 0.231 117 S C -0.488 174.144 174.600 0.053 0.000 1.014 117 S CA 1.867 60.100 58.200 0.055 0.000 0.965 117 S CB 0.217 63.444 63.200 0.045 0.000 0.785 117 S HN 0.223 8.572 8.310 0.066 0.000 0.495 118 S N -2.683 113.054 115.700 0.063 0.000 2.661 118 S HA 0.211 4.713 4.470 0.053 0.000 0.268 118 S C -0.902 173.762 174.600 0.106 0.000 1.162 118 S CA -0.774 57.465 58.200 0.064 0.000 0.817 118 S CB 1.526 64.753 63.200 0.045 0.000 1.141 118 S HN -0.865 7.465 8.310 0.068 0.021 0.477 119 Q N 0.248 120.127 119.800 0.131 0.000 2.077 119 Q HA -0.499 4.073 4.340 0.387 0.000 0.206 119 Q C 1.312 177.558 176.000 0.410 0.000 0.989 119 Q CA 3.614 59.616 55.803 0.332 0.000 0.853 119 Q CB -0.344 28.468 28.738 0.123 0.000 0.907 119 Q HN 0.518 8.831 8.270 0.072 0.000 0.418 120 N N -1.029 117.832 118.700 0.268 0.000 2.149 120 N HA -0.336 4.597 4.740 0.226 -0.057 0.188 120 N C 2.261 177.805 175.510 0.056 0.000 1.019 120 N CA 3.629 56.781 53.050 0.171 0.000 0.857 120 N CB -0.567 37.977 38.487 0.095 0.000 0.997 120 N HN 0.216 8.701 8.380 0.175 0.000 0.426 121 E N 0.190 120.425 120.200 0.058 0.000 2.070 121 E HA -0.285 4.074 4.350 0.015 0.000 0.197 121 E C 2.479 179.082 176.600 0.005 0.000 1.004 121 E CA 2.891 59.309 56.400 0.031 0.000 0.805 121 E CB -0.518 29.218 29.700 0.060 0.000 0.744 121 E HN -0.503 7.795 8.360 0.082 0.111 0.451 122 L N -0.991 120.235 121.223 0.006 0.000 2.023 122 L HA -0.276 4.128 4.340 0.107 0.000 0.205 122 L C 2.033 178.814 176.870 -0.148 0.000 1.073 122 L CA 3.593 58.428 54.840 -0.009 0.000 0.745 122 L CB -0.265 41.773 42.059 -0.034 0.000 0.900 122 L HN -0.674 7.577 8.230 0.035 0.000 0.435 123 E N -0.377 119.601 120.200 -0.370 0.000 2.058 123 E HA -0.490 3.573 4.350 -0.479 0.000 0.194 123 E C 2.293 178.757 176.600 -0.227 0.000 0.997 123 E CA 3.846 59.983 56.400 -0.437 0.000 0.801 123 E CB -0.139 29.221 29.700 -0.567 0.000 0.746 123 E HN -0.114 8.014 8.360 -0.387 0.000 0.450 124 N N -0.676 117.920 118.700 -0.175 0.000 2.188 124 N HA -0.216 4.412 4.740 -0.188 0.000 0.184 124 N C 2.664 177.931 175.510 -0.404 0.000 1.018 124 N CA 3.265 56.192 53.050 -0.205 0.000 0.858 124 N CB -0.205 38.211 38.487 -0.119 0.000 0.989 124 N HN 0.529 8.709 8.380 -0.125 0.125 0.426 125 V N 1.261 120.939 119.914 -0.393 0.000 2.307 125 V HA -0.438 3.143 4.120 -0.897 0.000 0.245 125 V C 1.678 176.811 176.094 -1.601 0.000 1.045 125 V CA 4.065 65.915 62.300 -0.749 0.000 1.024 125 V CB -0.318 31.428 31.823 -0.128 0.000 0.651 125 V HN -0.096 7.774 8.190 -0.220 0.189 0.449 126 F N -0.253 119.167 119.950 -0.883 0.000 2.113 126 F HA -0.424 3.691 4.527 -0.686 0.000 0.297 126 F C 1.801 177.256 175.800 -0.575 0.000 1.103 126 F CA 4.550 62.145 58.000 -0.675 0.000 1.248 126 F CB 0.174 39.010 39.000 -0.272 0.000 0.999 126 F HN 0.607 8.681 8.300 -0.167 0.125 0.475 127 K N -0.186 120.049 120.400 -0.275 0.000 2.152 127 K HA -0.371 4.094 4.320 -0.085 -0.196 0.206 127 K C 2.123 178.567 176.600 -0.260 0.000 1.048 127 K CA 2.968 59.141 56.287 -0.190 0.000 0.933 127 K CB -0.049 32.362 32.500 -0.149 0.000 0.721 127 K HN 0.452 8.432 8.250 -0.246 0.123 0.447 128 A N -3.084 119.404 122.820 -0.553 0.000 2.014 128 A HA -0.094 4.126 4.320 -0.166 0.000 0.218 128 A C 0.837 178.487 177.584 0.111 0.000 1.163 128 A CA 1.847 53.636 52.037 -0.413 0.000 0.652 128 A CB -0.645 17.803 19.000 -0.919 0.000 0.808 128 A HN -0.464 7.075 8.150 -0.822 0.117 0.449 129 W N -3.682 117.534 121.300 -0.141 0.000 2.576 129 W HA -0.225 4.335 4.660 -0.167 0.000 0.270 129 W C 0.372 176.789 176.519 -0.170 0.000 1.255 129 W CA -0.201 57.019 57.345 -0.210 0.000 1.314 129 W CB 1.198 30.400 29.460 -0.430 0.000 1.101 129 W HN -0.401 7.202 8.180 -0.668 0.176 0.595 130 G N -5.235 103.609 108.800 0.073 0.000 2.141 130 G HA2 -0.460 3.520 3.960 0.034 0.000 0.242 130 G HA3 -0.460 3.509 3.960 0.016 0.000 0.242 130 G C -1.316 173.542 174.900 -0.071 0.000 0.982 130 G CA 0.281 45.391 45.100 0.017 0.000 0.662 130 G HN -0.094 8.073 8.290 0.008 0.127 0.527 131 A N -1.291 121.430 122.820 -0.165 0.000 1.942 131 A HA 0.175 3.919 4.320 -0.960 0.000 0.209 131 A C 1.316 178.714 177.584 -0.310 0.000 1.214 131 A CA 0.455 52.099 52.037 -0.655 0.000 0.686 131 A CB 0.696 19.274 19.000 -0.702 0.000 0.871 131 A HN -0.613 7.451 8.150 -0.070 0.044 0.460 132 A N -3.215 119.685 122.820 0.134 0.000 2.139 132 A HA -0.287 4.044 4.320 0.017 0.000 0.221 132 A C -1.674 175.966 177.584 0.093 0.000 1.159 132 A CA 2.426 54.524 52.037 0.101 0.000 0.662 132 A CB -0.264 18.800 19.000 0.108 0.000 0.796 132 A HN -0.009 8.309 8.150 0.281 0.000 0.463 133 N N -9.970 108.827 118.700 0.163 0.000 2.639 133 N HA 0.034 5.081 4.740 0.511 0.000 0.265 133 N C -1.213 174.465 175.510 0.280 0.000 1.689 133 N CA -0.831 52.409 53.050 0.315 0.000 0.813 133 N CB 0.708 39.295 38.487 0.166 0.000 1.353 133 N HN -0.457 7.910 8.380 0.083 0.063 0.510 134 K N -0.323 120.252 120.400 0.292 0.000 2.372 134 K HA 0.107 4.484 4.320 0.095 0.000 0.200 134 K C -0.808 175.743 176.600 -0.083 0.000 1.022 134 K CA -1.409 54.941 56.287 0.105 0.000 1.125 134 K CB 0.366 32.953 32.500 0.144 0.000 0.855 134 K HN -0.588 7.987 8.250 0.542 0.000 0.524 135 Y N -2.323 117.425 120.300 -0.919 0.000 2.765 135 Y HA -0.677 2.571 4.550 -2.170 0.000 0.475 135 Y C 0.577 175.770 175.900 -1.179 0.000 1.123 135 Y CA 3.943 61.179 58.100 -1.440 0.000 2.832 135 Y CB -1.134 37.061 38.460 -0.442 0.000 1.104 135 Y HN -0.091 7.792 8.280 -0.547 0.068 0.602 136 E N 0.074 120.242 120.200 -0.054 0.000 2.118 136 E HA -0.401 3.962 4.350 0.022 0.000 0.195 136 E C 1.649 178.249 176.600 -0.000 0.000 0.992 136 E CA 2.551 58.960 56.400 0.015 0.000 0.804 136 E CB -0.156 29.603 29.700 0.098 0.000 0.741 136 E HN -0.070 8.385 8.360 0.185 0.016 0.458 137 Y N 0.516 120.768 120.300 -0.079 0.000 2.365 137 Y HA -0.341 4.253 4.550 0.073 0.000 0.287 137 Y C 1.674 177.708 175.900 0.223 0.000 1.162 137 Y CA 2.453 60.604 58.100 0.084 0.000 1.260 137 Y CB -0.393 38.153 38.460 0.143 0.000 0.976 137 Y HN -0.681 7.559 8.280 0.114 0.108 0.548 138 Y N -1.117 119.315 120.300 0.220 0.000 2.256 138 Y HA -0.282 4.397 4.550 0.215 0.000 0.288 138 Y C 2.507 178.391 175.900 -0.026 0.000 1.155 138 Y CA -0.433 57.731 58.100 0.106 0.000 1.203 138 Y CB -1.747 36.715 38.460 0.004 0.000 0.980 138 Y HN 0.001 8.097 8.280 0.003 0.185 0.530 139 K N 0.041 120.497 120.400 0.094 0.000 2.293 139 K HA -0.338 3.999 4.320 0.028 0.000 0.204 139 K C 1.941 178.504 176.600 -0.062 0.000 1.045 139 K CA 2.657 58.947 56.287 0.004 0.000 0.933 139 K CB -0.657 31.831 32.500 -0.020 0.000 0.736 139 K HN 0.226 8.385 8.250 0.084 0.142 0.463 140 S N -2.674 112.925 115.700 -0.169 0.000 2.496 140 S HA -0.024 4.350 4.470 -0.161 0.000 0.224 140 S C -0.143 174.403 174.600 -0.090 0.000 0.996 140 S CA 1.724 59.794 58.200 -0.217 0.000 0.927 140 S CB 1.112 63.983 63.200 -0.549 0.000 0.774 140 S HN -0.162 7.835 8.310 -0.221 0.180 0.524 141 S N -1.346 114.345 115.700 -0.016 0.000 2.908 141 S HA 0.101 4.575 4.470 0.007 0.000 0.140 141 S C -1.048 173.576 174.600 0.041 0.000 0.890 141 S CA -0.134 58.079 58.200 0.022 0.000 0.995 141 S CB 0.501 63.722 63.200 0.035 0.000 1.660 141 S HN 0.115 8.220 8.310 0.009 0.210 0.507 142 Q N 2.314 122.139 119.800 0.042 0.000 2.231 142 Q HA -0.436 3.993 4.340 0.109 -0.024 0.217 142 Q C -1.206 174.745 176.000 -0.081 0.000 1.013 142 Q CA 3.123 58.942 55.803 0.027 0.000 0.917 142 Q CB 0.221 28.969 28.738 0.016 0.000 0.968 142 Q HN 0.185 8.476 8.270 0.036 0.000 0.414 143 T N -3.614 110.907 114.554 -0.054 0.000 2.840 143 T HA 0.146 4.408 4.350 -0.146 0.000 0.287 143 T C -1.314 173.366 174.700 -0.033 0.000 0.991 143 T CA -0.971 61.083 62.100 -0.077 0.000 0.964 143 T CB 1.376 70.218 68.868 -0.044 0.000 0.954 143 T HN -0.409 7.803 8.240 -0.019 0.016 0.438 144 I N 5.273 125.813 120.570 -0.050 0.000 2.390 144 I HA 0.215 4.411 4.170 0.044 0.000 0.283 144 I C -2.511 173.642 176.117 0.060 0.000 1.016 144 I CA -0.814 60.488 61.300 0.003 0.000 1.151 144 I CB 1.028 38.989 38.000 -0.064 0.000 1.293 144 I HN 0.391 8.537 8.210 -0.107 0.000 0.458 145 I N 7.821 128.487 120.570 0.161 0.000 2.377 145 I HA 0.940 5.425 4.170 0.087 -0.263 0.293 145 I C -1.402 174.780 176.117 0.110 0.000 0.987 145 I CA -2.860 58.516 61.300 0.127 0.000 1.185 145 I CB 2.408 40.450 38.000 0.069 0.000 1.341 145 I HN 0.355 8.672 8.210 0.178 0.000 0.455 146 S N 7.111 122.705 115.700 -0.177 0.000 2.638 146 S HA 0.206 3.195 4.470 -2.467 0.000 0.298 146 S C -1.020 173.371 174.600 -0.348 0.000 1.111 146 S CA -1.902 55.727 58.200 -0.953 0.000 1.027 146 S CB 1.875 64.686 63.200 -0.649 0.000 1.064 146 S HN 0.913 9.079 8.310 -0.023 0.130 0.525 147 W N 3.660 124.629 121.300 -0.552 0.000 2.253 147 W HA -0.031 4.537 4.660 -0.153 0.000 0.322 147 W C -0.342 176.103 176.519 -0.123 0.000 1.342 147 W CA 2.645 59.862 57.345 -0.214 0.000 1.218 147 W CB 0.379 29.763 29.460 -0.126 0.000 1.205 147 W HN -0.354 7.602 8.180 -0.373 0.000 0.551 148 V N 2.625 122.532 119.914 -0.012 0.000 3.126 148 V HA 0.250 4.415 4.120 0.076 0.000 0.314 148 V C -1.138 174.943 176.094 -0.023 0.000 1.138 148 V CA -2.517 59.790 62.300 0.012 0.000 1.034 148 V CB 4.549 36.353 31.823 -0.031 0.000 1.075 148 V HN 0.801 8.806 8.190 -0.196 0.067 0.442 149 Q N 1.633 121.429 119.800 -0.007 0.000 2.395 149 Q HA -0.103 4.218 4.340 -0.032 0.000 0.271 149 Q C -0.632 175.318 176.000 -0.083 0.000 1.026 149 Q CA 0.621 56.402 55.803 -0.035 0.000 0.900 149 Q CB 0.665 29.392 28.738 -0.018 0.000 1.266 149 Q HN 0.139 8.419 8.270 0.017 0.000 0.430 150 Q N 3.169 122.911 119.800 -0.098 0.000 2.222 150 Q HA 0.054 4.396 4.340 -0.137 -0.084 0.211 150 Q C -0.547 175.400 176.000 -0.089 0.000 1.013 150 Q CA -1.010 54.724 55.803 -0.114 0.000 0.993 150 Q CB 1.344 30.010 28.738 -0.120 0.000 1.151 150 Q HN 0.217 8.431 8.270 -0.092 0.000 0.544 151 T N -2.758 111.743 114.554 -0.088 0.000 2.923 151 T HA 0.179 4.490 4.350 -0.064 0.000 0.281 151 T C 0.774 175.437 174.700 -0.061 0.000 0.995 151 T CA -1.970 60.088 62.100 -0.071 0.000 0.985 151 T CB 1.258 70.082 68.868 -0.075 0.000 1.114 151 T HN -0.298 7.882 8.240 -0.098 0.000 0.548 152 A N 0.769 123.559 122.820 -0.050 0.000 1.902 152 A HA -0.213 4.082 4.320 -0.042 0.000 0.217 152 A C 2.219 179.776 177.584 -0.045 0.000 1.181 152 A CA 3.363 55.374 52.037 -0.043 0.000 0.623 152 A CB -0.852 18.127 19.000 -0.035 0.000 0.818 152 A HN 0.473 8.594 8.150 -0.047 0.000 0.443 153 Q N -4.142 115.630 119.800 -0.047 0.000 2.046 153 Q HA -0.237 4.078 4.340 -0.040 0.000 0.200 153 Q C 1.921 177.889 176.000 -0.054 0.000 0.975 153 Q CA 2.686 58.461 55.803 -0.047 0.000 0.836 153 Q CB -0.692 28.018 28.738 -0.046 0.000 0.896 153 Q HN 0.403 8.645 8.270 -0.048 0.000 0.428 154 D N 0.957 121.317 120.400 -0.066 0.000 2.144 154 D HA -0.183 4.413 4.640 -0.072 0.000 0.200 154 D C 1.910 178.164 176.300 -0.078 0.000 0.978 154 D CA 2.223 56.176 54.000 -0.078 0.000 0.833 154 D CB -0.522 40.220 40.800 -0.097 0.000 0.961 154 D HN -0.670 7.660 8.370 -0.068 0.000 0.470 155 A N -0.104 122.671 122.820 -0.074 0.000 1.892 155 A HA -0.246 4.217 4.320 -0.081 -0.192 0.218 155 A C 2.264 179.815 177.584 -0.054 0.000 1.188 155 A CA 2.846 54.842 52.037 -0.069 0.000 0.631 155 A CB -0.411 18.552 19.000 -0.061 0.000 0.822 155 A HN 0.146 8.147 8.150 -0.072 0.106 0.447 156 K N -1.211 119.161 120.400 -0.047 0.000 2.280 156 K HA -0.226 4.074 4.320 -0.032 0.000 0.202 156 K C 1.600 178.177 176.600 -0.038 0.000 1.047 156 K CA 2.424 58.688 56.287 -0.037 0.000 0.942 156 K CB -0.572 31.908 32.500 -0.033 0.000 0.739 156 K HN -0.446 7.776 8.250 -0.048 -0.001 0.457 157 S N -0.846 114.826 115.700 -0.047 0.000 2.555 157 S HA -0.089 4.356 4.470 -0.041 0.000 0.230 157 S C 0.458 175.029 174.600 -0.048 0.000 0.978 157 S CA 0.845 59.016 58.200 -0.048 0.000 0.934 157 S CB 0.220 63.384 63.200 -0.060 0.000 0.766 157 S HN -0.279 7.803 8.310 -0.054 0.196 0.533 158 G N 1.159 109.929 108.800 -0.049 0.000 2.212 158 G HA2 -0.403 3.538 3.960 -0.032 0.000 0.255 158 G HA3 -0.403 3.578 3.960 -0.037 -0.044 0.255 158 G C -2.093 172.769 174.900 -0.063 0.000 1.062 158 G CA 0.656 45.731 45.100 -0.043 0.000 0.815 158 G HN 0.286 8.378 8.290 -0.050 0.168 0.497 159 V N -7.267 112.593 119.914 -0.091 0.000 3.181 159 V HA 0.795 4.824 4.120 -0.152 0.000 0.308 159 V C -2.311 173.672 176.094 -0.186 0.000 1.214 159 V CA -4.142 58.072 62.300 -0.144 0.000 1.053 159 V CB 2.628 34.368 31.823 -0.138 0.000 1.069 159 V HN -0.648 7.491 8.190 -0.085 0.000 0.441 160 A N -1.936 120.709 122.820 -0.291 0.000 2.387 160 A HA 0.479 4.672 4.320 -0.213 0.000 0.303 160 A C -1.425 175.968 177.584 -0.318 0.000 1.145 160 A CA -2.299 49.554 52.037 -0.306 0.000 0.801 160 A CB 2.560 21.304 19.000 -0.427 0.000 1.342 160 A HN 0.390 8.261 8.150 -0.357 0.064 0.440 161 S N -1.384 114.165 115.700 -0.250 0.000 2.564 161 S HA -0.039 4.352 4.470 -0.222 -0.055 0.278 161 S C -0.636 173.799 174.600 -0.275 0.000 1.333 161 S CA 0.111 58.172 58.200 -0.232 0.000 1.048 161 S CB 0.396 63.491 63.200 -0.175 0.000 0.900 161 S HN 0.121 8.272 8.310 -0.202 0.038 0.505 162 T N 6.054 120.454 114.554 -0.255 0.000 2.829 162 T HA 0.645 4.975 4.350 -0.264 -0.138 0.280 162 T C -1.773 172.849 174.700 -0.130 0.000 0.999 162 T CA -1.807 60.157 62.100 -0.226 0.000 0.983 162 T CB 2.085 70.813 68.868 -0.234 0.000 0.968 162 T HN 1.029 8.995 8.240 -0.237 0.132 0.446 163 Y N 3.978 124.178 120.300 -0.166 0.000 2.352 163 Y HA 0.051 4.535 4.550 -0.110 0.000 0.339 163 Y C -2.955 172.880 175.900 -0.108 0.000 0.992 163 Y CA -0.962 57.063 58.100 -0.126 0.000 1.100 163 Y CB 3.530 41.917 38.460 -0.120 0.000 1.192 163 Y HN 1.182 9.352 8.280 0.009 0.116 0.458 164 D N 6.876 127.482 120.400 0.343 0.000 2.462 164 D HA 0.525 5.433 4.640 0.077 -0.221 0.245 164 D C 0.297 176.675 176.300 0.129 0.000 1.122 164 D CA -1.593 52.487 54.000 0.134 0.000 0.864 164 D CB 1.953 42.774 40.800 0.035 0.000 1.098 164 D HN 0.425 8.964 8.370 0.356 0.044 0.541 165 L N 2.749 123.959 121.223 -0.022 0.000 2.022 165 L HA 0.100 4.431 4.340 -0.015 0.000 0.204 165 L C 0.517 177.310 176.870 -0.128 0.000 1.076 165 L CA 3.267 58.050 54.840 -0.095 0.000 0.749 165 L CB -0.186 41.732 42.059 -0.235 0.000 0.903 165 L HN 0.309 8.494 8.230 -0.075 0.000 0.439 166 V N -4.469 115.295 119.914 -0.250 0.000 3.129 166 V HA -0.107 3.719 4.120 -0.489 0.000 0.259 166 V C 0.900 176.748 176.094 -0.409 0.000 1.116 166 V CA 1.013 62.992 62.300 -0.535 0.000 1.127 166 V CB -0.146 31.098 31.823 -0.964 0.000 0.742 166 V HN 0.075 8.127 8.190 -0.229 0.000 0.474 167 K N -2.978 117.290 120.400 -0.220 0.000 2.356 167 K HA -0.075 4.142 4.320 -0.173 0.000 0.195 167 K C 0.010 176.562 176.600 -0.080 0.000 1.037 167 K CA 0.549 56.751 56.287 -0.142 0.000 1.014 167 K CB 0.387 32.831 32.500 -0.093 0.000 0.815 167 K HN -0.124 7.993 8.250 -0.169 0.032 0.507 168 Q N -3.938 115.829 119.800 -0.055 0.000 1.232 168 Q HA -0.085 4.240 4.340 -0.025 0.000 0.121 168 Q C -1.113 174.884 176.000 -0.006 0.000 0.710 168 Q CA 0.177 55.963 55.803 -0.028 0.000 0.591 168 Q CB 0.904 29.621 28.738 -0.034 0.000 1.055 168 Q HN -0.453 7.784 8.270 -0.055 0.000 0.316 169 N N -2.297 116.424 118.700 0.036 0.000 7.005 169 N HA -0.095 4.761 4.740 0.239 0.028 0.426 169 N C -3.238 172.295 175.510 0.037 0.000 0.940 169 N CA 0.578 53.689 53.050 0.101 0.000 1.180 169 N CB -0.122 38.372 38.487 0.013 0.000 0.844 169 N HN 0.157 8.483 8.380 0.031 0.073 0.208 170 P HA 0.157 4.351 4.420 -0.423 -0.028 0.279 170 P C -1.960 175.137 177.300 -0.339 0.000 1.252 170 P CA 0.244 62.933 63.100 -0.685 0.000 0.811 170 P CB 0.833 31.562 31.700 -1.618 0.000 1.035 171 L N -0.108 120.951 121.223 -0.274 0.000 2.359 171 L HA 0.476 4.709 4.340 -0.178 0.000 0.256 171 L C -2.286 174.464 176.870 -0.200 0.000 1.026 171 L CA -2.053 52.671 54.840 -0.193 0.000 0.828 171 L CB 4.527 46.503 42.059 -0.138 0.000 1.406 171 L HN 1.074 8.977 8.230 -0.282 0.158 0.413 172 N N 1.097 119.697 118.700 -0.167 0.000 2.319 172 N HA 0.119 4.748 4.740 -0.185 0.000 0.305 172 N C -1.691 173.729 175.510 -0.151 0.000 1.103 172 N CA -1.175 51.777 53.050 -0.163 0.000 0.815 172 N CB 1.870 40.274 38.487 -0.139 0.000 1.288 172 N HN 0.193 8.486 8.380 -0.145 0.000 0.493 173 N N -3.861 114.738 118.700 -0.168 0.000 2.728 173 N HA -0.336 4.310 4.740 -0.157 0.000 0.271 173 N C -2.190 173.206 175.510 -0.189 0.000 1.212 173 N CA 0.685 53.641 53.050 -0.157 0.000 0.646 173 N CB -1.277 37.141 38.487 -0.116 0.000 0.976 173 N HN 0.360 8.630 8.380 -0.184 0.000 0.544 174 I N -0.402 120.010 120.570 -0.263 0.000 2.637 174 I HA 0.215 4.249 4.170 -0.228 0.000 0.285 174 I C -1.416 174.420 176.117 -0.467 0.000 1.222 174 I CA -0.781 60.322 61.300 -0.328 0.000 1.067 174 I CB 3.404 41.172 38.000 -0.387 0.000 1.279 174 I HN -0.057 7.937 8.210 -0.277 0.049 0.441 175 K N 6.739 126.963 120.400 -0.293 0.000 1.302 175 K HA -0.097 4.097 4.320 -0.210 0.000 0.079 175 K C -1.173 175.413 176.600 -0.024 0.000 2.369 175 K CA 1.404 57.571 56.287 -0.201 0.000 1.020 175 K CB -0.771 31.600 32.500 -0.216 0.000 2.630 175 K HN 0.190 8.328 8.250 -0.188 0.000 0.345 176 A N -0.521 122.271 122.820 -0.047 0.000 2.084 176 A HA -0.236 4.086 4.320 0.003 0.000 0.221 176 A C 1.431 179.029 177.584 0.023 0.000 1.161 176 A CA 2.055 54.087 52.037 -0.008 0.000 0.653 176 A CB -1.367 17.617 19.000 -0.028 0.000 0.802 176 A HN 0.102 8.198 8.150 -0.090 0.000 0.457 177 S N -2.478 113.238 115.700 0.027 0.000 2.336 177 S HA -0.204 4.295 4.470 0.048 0.000 0.216 177 S C -0.117 174.556 174.600 0.122 0.000 1.032 177 S CA 2.061 60.299 58.200 0.064 0.000 0.973 177 S CB 0.336 63.572 63.200 0.059 0.000 0.888 177 S HN -0.131 8.132 8.310 -0.007 0.043 0.455 178 E N -4.240 116.088 120.200 0.213 0.000 3.143 178 E HA -0.155 4.426 4.350 0.385 0.000 0.352 178 E C -2.434 174.372 176.600 0.344 0.000 0.861 178 E CA 0.315 56.891 56.400 0.293 0.000 1.183 178 E CB -1.252 28.545 29.700 0.162 0.000 1.513 178 E HN -0.015 8.472 8.360 0.212 0.000 0.387 179 S N -6.412 109.625 115.700 0.560 0.000 4.541 179 S HA 0.030 4.938 4.470 0.399 -0.198 0.054 179 S C -1.532 173.380 174.600 0.519 0.000 0.861 179 S CA -0.168 58.310 58.200 0.463 0.000 0.871 179 S CB 0.578 63.885 63.200 0.178 0.000 0.607 179 S HN -0.530 8.160 8.310 0.634 0.000 0.783 180 N N 0.283 119.434 118.700 0.750 0.000 2.280 180 N HA -0.018 4.853 4.740 0.218 0.000 0.192 180 N C -0.970 174.730 175.510 0.317 0.000 1.109 180 N CA 0.533 53.763 53.050 0.301 0.000 0.855 180 N CB 0.326 38.800 38.487 -0.022 0.000 0.974 180 N HN 0.201 9.241 8.380 1.100 0.000 0.482 181 A N -2.752 120.451 122.820 0.639 0.000 1.587 181 A HA 0.246 4.819 4.320 0.332 -0.054 0.144 181 A C -2.546 175.315 177.584 0.461 0.000 1.543 181 A CA 0.538 52.830 52.037 0.425 0.000 2.098 181 A CB 1.548 20.663 19.000 0.192 0.000 2.085 181 A HN -0.504 8.256 8.150 1.098 0.049 1.270 182 Y N -6.596 113.887 120.300 0.306 0.000 3.068 182 Y HA -0.092 4.375 4.550 -0.137 0.000 0.419 182 Y C -3.288 172.600 175.900 -0.019 0.000 1.145 182 Y CA -1.306 56.792 58.100 -0.004 0.000 1.237 182 Y CB -0.083 38.396 38.460 0.033 0.000 1.733 182 Y HN -0.845 7.711 8.280 0.348 -0.068 0.472 183 A N -1.629 121.340 122.820 0.248 0.000 2.306 183 A HA 0.480 4.852 4.320 0.087 0.000 0.330 183 A C -1.331 176.434 177.584 0.302 0.000 1.146 183 A CA -1.516 50.615 52.037 0.157 0.000 0.827 183 A CB 2.464 21.471 19.000 0.010 0.000 1.178 183 A HN -0.104 8.189 8.150 0.237 0.000 0.490 184 T N 0.864 115.554 114.554 0.226 0.000 2.841 184 T HA 0.327 4.909 4.350 0.229 -0.095 0.283 184 T C -1.180 173.588 174.700 0.113 0.000 1.000 184 T CA -1.394 60.840 62.100 0.223 0.000 0.977 184 T CB 1.559 70.599 68.868 0.287 0.000 0.979 184 T HN -0.013 8.328 8.240 0.168 0.000 0.446 185 c N 6.045 124.669 118.600 0.040 0.000 2.298 185 c HA 0.395 4.985 4.570 0.034 0.000 0.323 185 c C -0.970 173.129 174.090 0.016 0.000 1.284 185 c CA -1.117 55.205 56.329 -0.011 0.000 1.577 185 c CB -0.038 42.361 42.510 -0.187 0.000 2.249 185 c HN 0.860 8.979 8.230 0.021 0.123 0.497 186 V N 0.851 120.802 119.914 0.062 0.000 2.495 186 V HA 0.427 4.591 4.120 0.075 0.000 0.298 186 V C -0.545 175.585 176.094 0.060 0.000 1.031 186 V CA -3.165 59.181 62.300 0.077 0.000 0.871 186 V CB 1.311 33.200 31.823 0.111 0.000 0.988 186 V HN -0.118 8.115 8.190 0.071 0.000 0.432 187 K N 0.000 120.422 120.400 0.037 0.000 2.780 187 K HA 0.000 4.304 4.320 -0.027 0.000 0.191 187 K CA 0.000 56.298 56.287 0.018 0.000 0.838 187 K CB 0.000 32.514 32.500 0.023 0.000 1.064 187 K HN 0.000 8.265 8.250 0.024 0.000 0.543