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 1o1v_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFTGKFEMES EKNYDEFMKL LGISSDVIEK ARNFKIVTEV QQDGQDFTWS DATA SEQUENCE QHYSGGHTMT NKFTVGKESN IQTMGGKTFK ATVQMEGGKL VVNFPNYHQT DATA SEQUENCE SEIVGDKLVE VSTIGGVTYE RVSKRLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.454 4.320 0.223 0.000 0.244 1 A C 0.000 177.591 177.584 0.012 0.000 1.274 1 A CA 0.000 52.086 52.037 0.082 0.000 0.836 1 A CB 0.000 19.060 19.000 0.100 0.000 0.831 2 F N 0.433 120.536 119.950 0.256 0.000 2.309 2 F HA 0.259 4.930 4.527 0.239 0.000 0.366 2 F C -1.483 174.450 175.800 0.223 0.000 1.104 2 F CA -1.018 57.141 58.000 0.266 0.000 1.179 2 F CB -0.011 39.234 39.000 0.408 0.000 1.437 2 F HN 0.332 9.389 8.300 0.717 -0.328 0.528 3 T N 2.450 117.223 114.554 0.366 0.000 2.900 3 T HA 0.375 5.002 4.350 0.173 -0.173 0.303 3 T C -0.639 174.111 174.700 0.085 0.000 1.142 3 T CA -1.141 61.077 62.100 0.197 0.000 1.007 3 T CB 3.475 72.387 68.868 0.074 0.000 1.156 3 T HN -0.251 8.226 8.240 0.395 0.000 0.490 4 G N 3.282 112.054 108.800 -0.046 0.000 2.631 4 G HA2 -0.380 3.480 3.960 -0.167 0.000 0.504 4 G HA3 -0.380 3.358 3.960 -0.371 0.000 0.504 4 G C -1.895 172.765 174.900 -0.400 0.000 1.306 4 G CA -0.414 44.532 45.100 -0.257 0.000 0.897 4 G HN -0.022 8.270 8.290 0.003 0.000 0.520 5 K N -0.623 119.509 120.400 -0.446 0.000 2.107 5 K HA 0.376 4.728 4.320 -0.089 -0.086 0.251 5 K C -0.535 175.677 176.600 -0.646 0.000 1.012 5 K CA 0.406 56.506 56.287 -0.312 0.000 0.920 5 K CB 1.442 33.847 32.500 -0.157 0.000 1.033 5 K HN -0.411 7.607 8.250 -0.387 0.000 0.478 6 F N -2.677 117.274 119.950 0.000 0.000 2.645 6 F HA 0.456 5.149 4.527 0.010 -0.160 0.310 6 F C -1.413 174.417 175.800 0.050 0.000 1.102 6 F CA -0.952 57.060 58.000 0.020 0.000 0.952 6 F CB 5.351 44.365 39.000 0.022 0.000 1.326 6 F HN 0.776 9.181 8.300 0.176 0.000 0.456 7 E N 1.835 122.176 120.200 0.235 0.000 2.489 7 E HA 0.356 4.787 4.350 0.134 0.000 0.232 7 E C -1.488 175.195 176.600 0.139 0.000 0.990 7 E CA -1.608 54.876 56.400 0.140 0.000 0.768 7 E CB 2.451 32.189 29.700 0.064 0.000 1.270 7 E HN 0.574 9.161 8.360 0.259 -0.071 0.423 8 M N 7.994 127.696 119.600 0.170 0.000 2.248 8 M HA -0.275 4.462 4.480 0.142 -0.172 0.345 8 M C -0.828 175.528 176.300 0.093 0.000 1.243 8 M CA 2.277 57.668 55.300 0.151 0.000 1.090 8 M CB 0.586 33.305 32.600 0.200 0.000 1.683 8 M HN -0.222 8.195 8.290 0.210 0.000 0.450 9 E N 2.369 122.612 120.200 0.072 0.000 2.714 9 E HA 0.172 4.523 4.350 0.001 0.000 0.240 9 E C -1.162 175.452 176.600 0.023 0.000 1.102 9 E CA -0.321 56.095 56.400 0.026 0.000 1.758 9 E CB 1.171 30.878 29.700 0.013 0.000 2.849 9 E HN 0.013 8.524 8.360 0.087 -0.099 1.071 10 S N 1.896 117.623 115.700 0.044 0.000 2.451 10 S HA 0.155 4.642 4.470 0.029 0.000 0.301 10 S C -1.653 172.997 174.600 0.083 0.000 1.116 10 S CA -0.692 57.536 58.200 0.046 0.000 1.093 10 S CB 0.721 63.944 63.200 0.039 0.000 1.017 10 S HN -0.488 7.854 8.310 0.054 0.000 0.482 11 E N 4.199 124.463 120.200 0.107 0.000 2.446 11 E HA 0.539 5.133 4.350 0.203 -0.123 0.276 11 E C -0.794 175.923 176.600 0.195 0.000 0.969 11 E CA -1.280 55.245 56.400 0.209 0.000 0.800 11 E CB 4.652 34.560 29.700 0.348 0.000 1.341 11 E HN 0.231 8.635 8.360 0.074 0.000 0.460 12 K N -0.571 119.988 120.400 0.266 0.000 2.443 12 K HA 0.301 4.706 4.320 0.143 0.000 0.251 12 K C -0.726 175.994 176.600 0.200 0.000 0.972 12 K CA -1.161 55.241 56.287 0.192 0.000 0.833 12 K CB 2.779 35.367 32.500 0.147 0.000 1.317 12 K HN 0.085 8.570 8.250 0.392 0.000 0.441 13 N N -2.161 116.615 118.700 0.128 0.000 2.701 13 N HA -0.409 4.375 4.740 0.074 0.000 0.250 13 N C -0.058 175.451 175.510 -0.002 0.000 1.046 13 N CA 1.179 54.281 53.050 0.086 0.000 0.733 13 N CB -1.090 37.467 38.487 0.115 0.000 0.973 13 N HN 0.609 9.055 8.380 0.110 0.000 0.541 14 Y N 0.237 120.453 120.300 -0.139 0.000 2.133 14 Y HA -0.398 3.660 4.550 -0.820 0.000 0.287 14 Y C 0.810 176.591 175.900 -0.198 0.000 1.134 14 Y CA 4.150 62.052 58.100 -0.330 0.000 1.133 14 Y CB 0.140 38.505 38.460 -0.158 0.000 0.987 14 Y HN 0.114 8.492 8.280 0.175 0.007 0.502 15 D N -3.667 116.841 120.400 0.180 0.000 2.117 15 D HA -0.338 4.398 4.640 0.159 0.000 0.197 15 D C 2.045 178.336 176.300 -0.016 0.000 0.987 15 D CA 3.757 57.822 54.000 0.108 0.000 0.829 15 D CB -1.253 39.612 40.800 0.107 0.000 0.961 15 D HN 0.381 8.879 8.370 0.214 0.000 0.460 16 E N 0.141 120.334 120.200 -0.012 0.000 2.051 16 E HA -0.262 4.062 4.350 -0.044 0.000 0.192 16 E C 1.845 178.390 176.600 -0.091 0.000 0.991 16 E CA 2.329 58.706 56.400 -0.037 0.000 0.799 16 E CB -0.689 29.008 29.700 -0.004 0.000 0.748 16 E HN 0.012 8.383 8.360 0.017 0.000 0.449 17 F N 1.047 120.838 119.950 -0.265 0.000 2.095 17 F HA -0.422 3.974 4.527 -0.217 0.000 0.298 17 F C 1.451 177.016 175.800 -0.391 0.000 1.104 17 F CA 3.740 61.537 58.000 -0.338 0.000 1.232 17 F CB 0.163 38.841 39.000 -0.538 0.000 0.987 17 F HN -0.301 7.997 8.300 -0.004 0.000 0.475 18 M N -1.633 117.828 119.600 -0.232 0.000 2.132 18 M HA -0.393 3.924 4.480 -0.272 0.000 0.263 18 M C 2.190 178.338 176.300 -0.253 0.000 1.065 18 M CA 1.634 56.771 55.300 -0.271 0.000 1.122 18 M CB -1.388 31.038 32.600 -0.291 0.000 1.365 18 M HN 0.233 8.361 8.290 -0.269 0.000 0.411 19 K N 0.918 121.207 120.400 -0.185 0.000 2.063 19 K HA -0.199 4.051 4.320 -0.117 0.000 0.208 19 K C 2.698 179.178 176.600 -0.200 0.000 1.048 19 K CA 2.492 58.691 56.287 -0.146 0.000 0.928 19 K CB -0.586 31.859 32.500 -0.092 0.000 0.713 19 K HN -0.004 8.154 8.250 -0.155 0.000 0.442 20 L N -2.359 118.700 121.223 -0.273 0.000 2.056 20 L HA -0.325 3.885 4.340 -0.217 0.000 0.207 20 L C 2.638 179.272 176.870 -0.393 0.000 1.078 20 L CA 2.504 57.159 54.840 -0.307 0.000 0.749 20 L CB 0.011 41.865 42.059 -0.341 0.000 0.901 20 L HN -0.173 7.885 8.230 -0.286 0.000 0.433 21 L N -2.943 117.934 121.223 -0.577 0.000 2.081 21 L HA -0.316 3.643 4.340 -0.635 0.000 0.212 21 L C -0.206 176.475 176.870 -0.315 0.000 1.080 21 L CA 1.683 56.187 54.840 -0.561 0.000 0.754 21 L CB 0.763 42.448 42.059 -0.623 0.000 0.893 21 L HN 0.005 7.650 8.230 -0.695 0.167 0.433 22 G N -3.479 105.180 108.800 -0.235 0.000 3.002 22 G HA2 -0.261 3.705 3.960 -0.128 0.000 0.224 22 G HA3 -0.261 3.620 3.960 -0.131 0.000 0.224 22 G C -1.637 173.199 174.900 -0.107 0.000 1.013 22 G CA -0.558 44.455 45.100 -0.146 0.000 1.200 22 G HN -0.142 7.908 8.290 -0.251 0.090 0.589 23 I N -0.041 120.474 120.570 -0.092 0.000 2.865 23 I HA 0.168 4.314 4.170 -0.040 0.000 0.302 23 I C -0.706 175.395 176.117 -0.025 0.000 1.140 23 I CA -2.508 58.760 61.300 -0.054 0.000 1.021 23 I CB 3.967 41.928 38.000 -0.064 0.000 1.233 23 I HN -0.583 7.565 8.210 -0.103 0.000 0.427 24 S N 4.042 119.743 115.700 0.001 0.000 2.565 24 S HA 0.176 4.646 4.470 -0.001 0.000 0.276 24 S C 0.997 175.612 174.600 0.025 0.000 1.326 24 S CA -0.436 57.770 58.200 0.010 0.000 1.045 24 S CB 0.730 63.941 63.200 0.017 0.000 0.918 24 S HN 0.152 8.469 8.310 0.010 0.000 0.505 25 S N 3.936 119.649 115.700 0.021 0.000 2.370 25 S HA -0.406 4.085 4.470 0.036 0.000 0.226 25 S C 1.187 175.815 174.600 0.048 0.000 1.033 25 S CA 3.330 61.550 58.200 0.032 0.000 1.011 25 S CB -0.329 62.885 63.200 0.023 0.000 0.852 25 S HN 0.619 8.936 8.310 0.012 0.000 0.457 26 D N -1.002 119.424 120.400 0.043 0.000 2.116 26 D HA -0.234 4.434 4.640 0.047 0.000 0.193 26 D C 2.350 178.693 176.300 0.072 0.000 0.998 26 D CA 3.067 57.097 54.000 0.050 0.000 0.836 26 D CB -1.058 39.768 40.800 0.042 0.000 0.951 26 D HN 0.563 8.953 8.370 0.034 0.000 0.449 27 V N -4.225 115.739 119.914 0.083 0.000 2.719 27 V HA -0.185 4.008 4.120 0.121 0.000 0.252 27 V C 1.878 178.063 176.094 0.152 0.000 1.065 27 V CA 2.734 65.106 62.300 0.120 0.000 1.086 27 V CB -0.196 31.707 31.823 0.134 0.000 0.700 27 V HN -0.817 7.415 8.190 0.069 0.000 0.467 28 I N 2.608 123.259 120.570 0.135 0.000 2.127 28 I HA -0.605 3.736 4.170 0.284 0.000 0.241 28 I C 1.860 178.089 176.117 0.187 0.000 1.075 28 I CA 4.841 66.261 61.300 0.199 0.000 1.334 28 I CB -0.461 37.625 38.000 0.144 0.000 1.040 28 I HN -0.177 8.000 8.210 0.097 0.091 0.405 29 E N -0.586 119.682 120.200 0.113 0.000 2.047 29 E HA -0.416 3.973 4.350 0.065 0.000 0.191 29 E C 2.601 179.245 176.600 0.073 0.000 0.987 29 E CA 3.620 60.066 56.400 0.076 0.000 0.799 29 E CB -0.169 29.564 29.700 0.056 0.000 0.752 29 E HN 0.171 8.589 8.360 0.096 0.000 0.449 30 K N -0.898 119.556 120.400 0.090 0.000 2.097 30 K HA -0.274 4.097 4.320 0.084 0.000 0.205 30 K C 2.341 179.023 176.600 0.137 0.000 1.050 30 K CA 2.979 59.324 56.287 0.097 0.000 0.938 30 K CB -0.199 32.351 32.500 0.084 0.000 0.718 30 K HN -0.074 8.231 8.250 0.092 0.000 0.442 31 A N -0.803 122.119 122.820 0.169 0.000 1.877 31 A HA -0.235 4.251 4.320 0.276 0.000 0.216 31 A C 2.043 179.694 177.584 0.111 0.000 1.186 31 A CA 2.735 54.911 52.037 0.231 0.000 0.620 31 A CB -0.594 18.611 19.000 0.341 0.000 0.822 31 A HN 0.081 8.219 8.150 0.173 0.116 0.443 32 R N -2.826 117.635 120.500 -0.065 0.000 2.073 32 R HA -0.339 3.722 4.340 -0.465 0.000 0.234 32 R C 1.980 178.234 176.300 -0.076 0.000 1.134 32 R CA 3.030 58.977 56.100 -0.255 0.000 0.952 32 R CB 0.014 30.143 30.300 -0.285 0.000 0.850 32 R HN -0.394 7.878 8.270 0.003 0.000 0.433 33 N N -1.764 116.940 118.700 0.006 0.000 2.094 33 N HA -0.267 4.469 4.740 -0.007 0.000 0.191 33 N C 0.766 176.312 175.510 0.059 0.000 1.023 33 N CA 1.980 55.048 53.050 0.029 0.000 0.857 33 N CB 0.161 38.683 38.487 0.057 0.000 1.013 33 N HN -0.290 8.103 8.380 0.022 0.000 0.426 34 F N 2.591 122.533 119.950 -0.013 0.000 2.466 34 F HA -0.094 4.430 4.527 -0.005 0.000 0.363 34 F C -0.904 174.904 175.800 0.013 0.000 1.109 34 F CA -0.042 57.960 58.000 0.002 0.000 1.161 34 F CB 0.647 39.654 39.000 0.012 0.000 1.117 34 F HN -0.268 8.113 8.300 0.259 0.075 0.539 35 K N 7.126 127.246 120.400 -0.467 0.000 2.447 35 K HA -0.141 4.110 4.320 -0.116 0.000 0.281 35 K C -0.797 175.650 176.600 -0.256 0.000 1.031 35 K CA 0.543 56.657 56.287 -0.288 0.000 1.019 35 K CB 0.075 32.420 32.500 -0.259 0.000 0.918 35 K HN 0.110 8.021 8.250 -0.564 0.000 0.476 36 I N 3.623 124.266 120.570 0.121 0.000 2.638 36 I HA -0.199 4.476 4.170 0.677 -0.099 0.286 36 I C -0.387 175.898 176.117 0.281 0.000 1.088 36 I CA 0.031 61.554 61.300 0.373 0.000 1.397 36 I CB 1.059 39.298 38.000 0.399 0.000 1.414 36 I HN -0.152 8.123 8.210 0.109 0.000 0.566 37 V N 4.785 124.943 119.914 0.407 0.000 2.815 37 V HA 0.304 4.570 4.120 0.243 0.000 0.314 37 V C -1.623 174.744 176.094 0.456 0.000 1.064 37 V CA -1.597 60.901 62.300 0.330 0.000 0.952 37 V CB 3.134 35.088 31.823 0.219 0.000 1.020 37 V HN 0.013 8.554 8.190 0.585 0.000 0.439 38 T N 3.995 118.788 114.554 0.398 0.000 2.900 38 T HA 0.398 5.087 4.350 0.398 -0.100 0.303 38 T C -2.569 172.314 174.700 0.305 0.000 1.142 38 T CA -0.777 61.545 62.100 0.369 0.000 1.007 38 T CB 2.803 71.863 68.868 0.320 0.000 1.156 38 T HN 0.586 9.021 8.240 0.325 0.000 0.490 39 E N 3.364 123.659 120.200 0.160 0.000 2.366 39 E HA 0.637 5.257 4.350 0.213 -0.142 0.278 39 E C -2.742 173.800 176.600 -0.097 0.000 0.923 39 E CA -1.450 55.017 56.400 0.112 0.000 0.761 39 E CB 4.164 33.954 29.700 0.151 0.000 1.231 39 E HN -0.091 8.318 8.360 0.081 0.000 0.443 40 V N 2.382 122.263 119.914 -0.054 0.000 3.007 40 V HA 0.373 4.531 4.120 -0.164 -0.136 0.311 40 V C -1.981 174.123 176.094 0.017 0.000 1.120 40 V CA -1.765 60.451 62.300 -0.140 0.000 0.980 40 V CB 4.416 36.018 31.823 -0.370 0.000 1.033 40 V HN 0.337 8.579 8.190 0.086 0.000 0.429 41 Q N 1.481 121.298 119.800 0.028 0.000 3.064 41 Q HA 0.250 4.585 4.340 -0.009 0.000 0.258 41 Q C -1.308 174.634 176.000 -0.097 0.000 0.972 41 Q CA -1.791 54.003 55.803 -0.014 0.000 0.761 41 Q CB 0.783 29.511 28.738 -0.017 0.000 1.281 41 Q HN 0.195 8.501 8.270 0.059 0.000 0.455 42 Q N 5.483 125.199 119.800 -0.140 0.000 2.386 42 Q HA -0.331 3.360 4.340 -1.082 0.000 0.282 42 Q C -0.792 174.953 176.000 -0.425 0.000 1.050 42 Q CA 1.561 57.027 55.803 -0.562 0.000 0.918 42 Q CB 0.735 29.213 28.738 -0.433 0.000 1.266 42 Q HN -0.343 7.925 8.270 -0.003 0.000 0.423 43 D N 5.572 125.653 120.400 -0.532 0.000 2.978 43 D HA 0.203 4.730 4.640 -0.187 0.000 0.268 43 D C -1.263 174.911 176.300 -0.210 0.000 1.252 43 D CA -0.195 53.645 54.000 -0.266 0.000 0.771 43 D CB 0.511 41.195 40.800 -0.193 0.000 1.361 43 D HN 0.682 8.528 8.370 -0.873 0.000 0.558 44 G N 2.382 111.079 108.800 -0.173 0.000 2.367 44 G HA2 -0.402 3.535 3.960 -0.039 0.000 0.295 44 G HA3 -0.402 3.528 3.960 -0.049 0.000 0.295 44 G C -0.124 174.757 174.900 -0.033 0.000 1.019 44 G CA 0.695 45.752 45.100 -0.072 0.000 1.224 44 G HN 0.353 8.531 8.290 -0.186 0.000 0.510 45 Q N -5.263 114.536 119.800 -0.001 0.000 5.088 45 Q HA -0.438 4.124 4.340 0.370 0.000 0.255 45 Q C -0.750 175.386 176.000 0.228 0.000 1.881 45 Q CA 1.929 57.843 55.803 0.186 0.000 0.685 45 Q CB -0.737 28.087 28.738 0.144 0.000 0.549 45 Q HN 0.365 8.586 8.270 -0.081 0.000 0.884 46 D N -1.199 119.206 120.400 0.009 0.000 2.329 46 D HA 0.186 5.013 4.640 0.111 -0.121 0.246 46 D C -1.471 174.705 176.300 -0.207 0.000 1.111 46 D CA 0.597 54.596 54.000 -0.002 0.000 0.941 46 D CB 1.752 42.522 40.800 -0.049 0.000 1.169 46 D HN -0.740 7.509 8.370 -0.059 0.085 0.441 47 F N -1.005 118.697 119.950 -0.414 0.000 2.613 47 F HA 0.332 4.875 4.527 -0.199 -0.135 0.310 47 F C -0.611 174.966 175.800 -0.371 0.000 1.085 47 F CA -1.096 56.631 58.000 -0.455 0.000 0.945 47 F CB 5.317 43.749 39.000 -0.946 0.000 1.298 47 F HN 0.084 8.279 8.300 -0.175 0.000 0.455 48 T N 4.749 119.310 114.554 0.011 0.000 3.150 48 T HA 0.331 4.828 4.350 0.041 -0.122 0.383 48 T C -1.259 173.553 174.700 0.187 0.000 1.313 48 T CA -0.168 61.968 62.100 0.060 0.000 1.235 48 T CB 0.292 69.177 68.868 0.029 0.000 1.088 48 T HN 0.046 8.309 8.240 0.039 0.000 0.556 49 W N 8.361 129.720 121.300 0.099 0.000 2.251 49 W HA -0.026 4.761 4.660 0.212 0.000 0.329 49 W C -2.325 174.274 176.519 0.132 0.000 1.234 49 W CA 0.122 57.576 57.345 0.183 0.000 1.228 49 W CB 2.042 31.672 29.460 0.283 0.000 1.135 49 W HN 0.045 8.449 8.180 0.374 0.000 0.576 50 S N 2.158 118.004 115.700 0.243 0.000 2.595 50 S HA 0.724 5.424 4.470 0.198 -0.111 0.281 50 S C -1.078 173.616 174.600 0.156 0.000 1.117 50 S CA -1.152 57.152 58.200 0.172 0.000 0.873 50 S CB 4.011 67.252 63.200 0.069 0.000 1.108 50 S HN 0.551 8.805 8.310 -0.093 0.000 0.477 51 Q N -1.028 118.760 119.800 -0.021 0.000 2.495 51 Q HA 0.537 4.995 4.340 0.198 0.000 0.287 51 Q C -1.456 174.390 176.000 -0.257 0.000 1.078 51 Q CA -1.436 54.405 55.803 0.063 0.000 0.793 51 Q CB 4.758 33.631 28.738 0.226 0.000 1.459 51 Q HN 0.565 8.781 8.270 -0.089 0.000 0.422 52 H N -0.702 118.630 119.070 0.436 0.000 3.224 52 H HA 0.408 5.224 4.556 0.167 -0.160 0.331 52 H C -1.685 173.852 175.328 0.348 0.000 1.002 52 H CA -0.671 55.558 56.048 0.302 0.000 1.473 52 H CB 2.176 32.091 29.762 0.256 0.000 1.830 52 H HN 0.114 8.672 8.280 0.464 0.000 0.485 53 Y N -1.719 118.575 120.300 -0.010 0.000 2.656 53 Y HA 0.351 4.895 4.550 -0.009 0.000 0.334 53 Y C -2.125 173.499 175.900 -0.460 0.000 1.179 53 Y CA -1.558 56.471 58.100 -0.118 0.000 1.050 53 Y CB 2.127 40.660 38.460 0.121 0.000 1.308 53 Y HN -0.229 7.783 8.280 -0.548 -0.061 0.456 54 S N 1.762 117.264 115.700 -0.330 0.000 3.386 54 S HA -0.426 3.960 4.470 -0.140 0.000 0.403 54 S C 0.536 174.612 174.600 -0.874 0.000 0.893 54 S CA 0.928 58.924 58.200 -0.339 0.000 1.336 54 S CB -0.897 62.324 63.200 0.034 0.000 0.925 54 S HN 1.072 9.413 8.310 0.050 0.000 0.589 55 G N -1.149 106.967 108.800 -1.140 0.000 2.160 55 G HA2 -0.296 3.297 3.960 -0.611 0.000 0.244 55 G HA3 -0.296 3.149 3.960 -0.858 0.000 0.244 55 G C -0.001 174.162 174.900 -1.228 0.000 1.022 55 G CA -0.135 44.349 45.100 -1.027 0.000 0.741 55 G HN 0.402 7.929 8.290 -1.272 0.000 0.508 56 G N -3.441 104.310 108.800 -1.748 0.000 2.258 56 G HA2 -0.346 3.324 3.960 -0.399 0.000 0.274 56 G HA3 -0.346 3.449 3.960 -0.274 0.000 0.274 56 G C -0.397 174.254 174.900 -0.414 0.000 1.021 56 G CA 0.120 44.804 45.100 -0.694 0.000 0.798 56 G HN -0.047 6.379 8.290 -3.016 0.054 0.507 57 H N 0.531 119.287 119.070 -0.524 0.000 3.091 57 H HA -0.180 4.229 4.556 -0.244 0.000 0.289 57 H C 0.613 175.754 175.328 -0.311 0.000 0.995 57 H CA -0.006 55.789 56.048 -0.422 0.000 1.461 57 H CB -1.156 28.274 29.762 -0.554 0.000 1.510 57 H HN -0.037 7.412 8.280 -1.211 0.104 0.546 58 T N 6.748 121.331 114.554 0.050 0.000 2.918 58 T HA 0.110 4.652 4.350 0.018 -0.181 0.302 58 T C -0.563 174.171 174.700 0.056 0.000 1.045 58 T CA 1.374 63.516 62.100 0.070 0.000 1.114 58 T CB 0.911 69.877 68.868 0.163 0.000 0.965 58 T HN 0.262 8.553 8.240 0.086 0.000 0.540 59 M N 5.519 125.160 119.600 0.069 0.000 2.484 59 M HA 0.473 5.011 4.480 0.097 0.000 0.289 59 M C -2.640 173.712 176.300 0.085 0.000 1.206 59 M CA -0.524 54.850 55.300 0.124 0.000 0.892 59 M CB 3.556 36.310 32.600 0.258 0.000 1.712 59 M HN 0.327 8.595 8.290 -0.037 0.000 0.462 60 T N 4.046 118.653 114.554 0.087 0.000 2.895 60 T HA 0.300 4.717 4.350 0.112 0.000 0.283 60 T C -0.929 173.842 174.700 0.119 0.000 1.014 60 T CA -0.474 61.686 62.100 0.100 0.000 1.037 60 T CB 1.173 70.089 68.868 0.079 0.000 1.006 60 T HN 0.109 8.396 8.240 0.079 0.000 0.468 61 N N 3.044 121.847 118.700 0.172 0.000 2.525 61 N HA 0.273 5.090 4.740 0.128 0.000 0.270 61 N C -2.332 173.305 175.510 0.212 0.000 1.321 61 N CA -0.356 52.805 53.050 0.185 0.000 0.797 61 N CB 4.087 42.701 38.487 0.212 0.000 1.529 61 N HN 0.687 9.192 8.380 0.209 0.000 0.491 62 K N -2.162 118.366 120.400 0.213 0.000 2.625 62 K HA 0.308 4.669 4.320 -0.081 -0.090 0.284 62 K C -2.479 174.212 176.600 0.150 0.000 0.984 62 K CA -0.320 56.008 56.287 0.069 0.000 0.865 62 K CB 3.312 35.827 32.500 0.025 0.000 1.468 62 K HN 0.242 8.630 8.250 0.229 0.000 0.407 63 F N -6.353 113.674 119.950 0.129 0.000 2.842 63 F HA 0.238 4.799 4.527 0.057 0.000 0.319 63 F C -2.862 173.019 175.800 0.136 0.000 1.159 63 F CA -0.406 57.638 58.000 0.073 0.000 0.902 63 F CB 1.208 40.195 39.000 -0.022 0.000 1.311 63 F HN -0.051 7.851 8.300 -0.665 0.000 0.453 64 T N 2.044 116.785 114.554 0.311 0.000 2.807 64 T HA 0.564 5.294 4.350 0.320 -0.188 0.279 64 T C 0.525 175.408 174.700 0.306 0.000 0.993 64 T CA -0.800 61.468 62.100 0.281 0.000 0.970 64 T CB 1.856 70.816 68.868 0.154 0.000 0.950 64 T HN -0.172 8.244 8.240 0.292 0.000 0.441 65 V N 0.753 120.856 119.914 0.315 0.000 2.715 65 V HA -0.227 4.079 4.120 0.070 -0.144 0.299 65 V C 0.254 176.395 176.094 0.079 0.000 1.054 65 V CA -0.401 61.986 62.300 0.145 0.000 1.077 65 V CB -0.053 31.833 31.823 0.106 0.000 0.972 65 V HN -0.143 8.290 8.190 0.404 0.000 0.484 66 G N 4.873 113.675 108.800 0.004 0.000 2.299 66 G HA2 -0.485 3.459 3.960 -0.026 0.000 0.237 66 G HA3 -0.485 3.487 3.960 0.021 0.000 0.237 66 G C -0.625 174.276 174.900 0.001 0.000 1.027 66 G CA 0.473 45.572 45.100 -0.000 0.000 0.619 66 G HN 0.785 8.943 8.290 -0.051 0.102 0.513 67 K N 0.920 121.335 120.400 0.026 0.000 2.166 67 K HA 0.287 4.616 4.320 0.016 0.000 0.245 67 K C -1.695 174.914 176.600 0.015 0.000 0.967 67 K CA -1.708 54.596 56.287 0.028 0.000 0.863 67 K CB 1.330 33.863 32.500 0.055 0.000 1.107 67 K HN -0.549 7.656 8.250 0.053 0.078 0.436 68 E N 1.640 121.846 120.200 0.011 0.000 2.383 68 E HA -0.219 4.223 4.350 -0.018 -0.103 0.264 68 E C 0.041 176.667 176.600 0.044 0.000 1.050 68 E CA 0.839 57.244 56.400 0.009 0.000 0.896 68 E CB 0.787 30.493 29.700 0.011 0.000 0.982 68 E HN 0.184 8.552 8.360 0.013 0.000 0.424 69 S N 2.998 118.732 115.700 0.058 0.000 2.564 69 S HA 0.214 4.735 4.470 0.085 0.000 0.274 69 S C -2.228 172.427 174.600 0.092 0.000 1.124 69 S CA -0.746 57.510 58.200 0.093 0.000 0.869 69 S CB 3.288 66.585 63.200 0.162 0.000 1.105 69 S HN 0.643 8.978 8.310 0.042 0.000 0.472 70 N N 2.081 120.828 118.700 0.079 0.000 2.488 70 N HA -0.032 4.749 4.740 0.068 0.000 0.274 70 N C -0.888 174.641 175.510 0.032 0.000 1.111 70 N CA 0.194 53.277 53.050 0.054 0.000 0.974 70 N CB 0.430 38.936 38.487 0.032 0.000 1.089 70 N HN 0.245 8.671 8.380 0.077 0.000 0.465 71 I N 6.608 127.150 120.570 -0.046 0.000 2.420 71 I HA 0.273 4.416 4.170 -0.044 0.000 0.282 71 I C -1.219 174.672 176.117 -0.377 0.000 1.019 71 I CA -2.725 58.483 61.300 -0.154 0.000 1.130 71 I CB -0.083 37.866 38.000 -0.085 0.000 1.262 71 I HN 0.579 8.759 8.210 -0.051 0.000 0.454 72 Q N 7.436 127.106 119.800 -0.216 0.000 2.432 72 Q HA -0.073 4.117 4.340 -0.250 0.000 0.264 72 Q C -0.684 175.122 176.000 -0.323 0.000 1.035 72 Q CA 0.823 56.490 55.803 -0.227 0.000 0.908 72 Q CB 0.245 28.927 28.738 -0.094 0.000 1.280 72 Q HN 0.529 8.735 8.270 -0.107 0.000 0.455 73 T N 4.889 119.267 114.554 -0.293 0.000 3.504 73 T HA 0.322 4.521 4.350 -0.253 0.000 0.286 73 T C -1.476 173.153 174.700 -0.118 0.000 1.530 73 T CA -0.197 61.746 62.100 -0.262 0.000 1.652 73 T CB -0.046 68.609 68.868 -0.354 0.000 0.895 73 T HN 0.285 8.391 8.240 -0.223 0.000 0.674 74 M N -0.148 119.412 119.600 -0.067 0.000 7.318 74 M HA -0.402 4.151 4.480 0.121 0.000 0.157 74 M C 0.180 176.498 176.300 0.030 0.000 0.481 74 M CA 1.118 56.438 55.300 0.034 0.000 1.311 74 M CB -0.757 31.872 32.600 0.049 0.000 0.422 74 M HN -0.397 7.846 8.290 -0.078 0.000 0.190 75 G N 0.660 109.499 108.800 0.064 0.000 2.661 75 G HA2 -0.216 3.749 3.960 0.009 0.000 0.292 75 G HA3 -0.216 3.751 3.960 0.013 0.000 0.292 75 G C -0.652 174.252 174.900 0.007 0.000 0.781 75 G CA 1.015 46.127 45.100 0.021 0.000 1.860 75 G HN 0.546 8.909 8.290 0.122 0.000 0.512 76 G N 3.827 112.624 108.800 -0.005 0.000 4.366 76 G HA2 -0.171 3.785 3.960 -0.007 0.000 0.194 76 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.194 76 G C -0.942 173.951 174.900 -0.013 0.000 1.275 76 G CA 0.042 45.138 45.100 -0.007 0.000 0.847 76 G HN -0.070 8.203 8.290 -0.015 0.007 0.299 77 K N 1.907 122.294 120.400 -0.022 0.000 2.106 77 K HA 0.498 4.815 4.320 -0.004 0.000 0.246 77 K C -1.857 174.701 176.600 -0.069 0.000 0.987 77 K CA -0.597 55.676 56.287 -0.023 0.000 0.904 77 K CB 1.882 34.377 32.500 -0.007 0.000 1.071 77 K HN -0.355 7.881 8.250 -0.023 0.000 0.453 78 T N -0.038 114.481 114.554 -0.059 0.000 2.957 78 T HA 0.135 4.353 4.350 -0.344 -0.074 0.336 78 T C -1.471 173.198 174.700 -0.052 0.000 1.462 78 T CA -0.229 61.773 62.100 -0.162 0.000 1.073 78 T CB 1.954 70.770 68.868 -0.086 0.000 1.319 78 T HN 0.078 8.328 8.240 0.017 0.000 0.485 79 F N 1.152 121.117 119.950 0.026 0.000 2.711 79 F HA 0.455 5.002 4.527 0.033 0.000 0.313 79 F C -2.834 173.001 175.800 0.059 0.000 1.141 79 F CA -2.226 55.799 58.000 0.043 0.000 0.941 79 F CB 2.405 41.439 39.000 0.055 0.000 1.349 79 F HN 0.545 8.413 8.300 -0.720 0.000 0.464 80 K N 0.020 120.661 120.400 0.403 0.000 2.156 80 K HA 0.607 5.176 4.320 0.228 -0.112 0.254 80 K C -1.016 175.778 176.600 0.323 0.000 0.950 80 K CA -1.026 55.429 56.287 0.279 0.000 0.849 80 K CB 2.449 35.033 32.500 0.140 0.000 1.100 80 K HN 0.103 8.565 8.250 0.353 0.000 0.434 81 A N 1.410 124.357 122.820 0.211 0.000 2.566 81 A HA 0.290 4.608 4.320 -0.004 0.000 0.290 81 A C -2.695 174.840 177.584 -0.080 0.000 1.071 81 A CA -0.215 51.860 52.037 0.063 0.000 0.658 81 A CB 3.248 22.361 19.000 0.188 0.000 1.285 81 A HN 0.688 8.937 8.150 0.165 0.000 0.427 82 T N 2.005 116.419 114.554 -0.234 0.000 2.771 82 T HA 0.442 4.705 4.350 -0.145 0.000 0.281 82 T C -0.705 173.769 174.700 -0.378 0.000 0.982 82 T CA -0.308 61.654 62.100 -0.229 0.000 0.978 82 T CB 0.921 69.682 68.868 -0.180 0.000 0.930 82 T HN 0.056 8.101 8.240 -0.324 0.000 0.447 83 V N 5.878 125.567 119.914 -0.375 0.000 2.617 83 V HA 0.105 3.833 4.120 -0.653 0.000 0.298 83 V C -1.464 174.407 176.094 -0.372 0.000 1.048 83 V CA -0.452 61.507 62.300 -0.568 0.000 0.964 83 V CB 0.789 31.988 31.823 -1.039 0.000 1.004 83 V HN 0.079 8.119 8.190 -0.249 0.000 0.466 84 Q N 4.450 124.027 119.800 -0.372 0.000 2.501 84 Q HA 0.414 4.669 4.340 -0.141 0.000 0.288 84 Q C -2.267 173.623 176.000 -0.183 0.000 1.051 84 Q CA -1.681 53.993 55.803 -0.214 0.000 0.788 84 Q CB 4.441 33.067 28.738 -0.187 0.000 1.469 84 Q HN 0.701 8.594 8.270 -0.471 0.094 0.416 85 M N 0.697 120.253 119.600 -0.073 0.000 2.067 85 M HA 0.249 4.850 4.480 -0.040 -0.145 0.286 85 M C -0.851 175.459 176.300 0.017 0.000 0.922 85 M CA -1.139 54.154 55.300 -0.012 0.000 0.937 85 M CB 2.401 35.047 32.600 0.076 0.000 1.550 85 M HN 0.209 8.472 8.290 -0.045 0.000 0.433 86 E N 7.551 127.760 120.200 0.015 0.000 2.206 86 E HA 0.232 4.596 4.350 0.023 0.000 0.244 86 E C 0.447 177.080 176.600 0.056 0.000 1.055 86 E CA -2.011 54.405 56.400 0.026 0.000 0.970 86 E CB -1.552 28.154 29.700 0.009 0.000 1.256 86 E HN 0.041 8.403 8.360 0.004 0.000 0.456 87 G N 4.741 113.584 108.800 0.072 0.000 2.556 87 G HA2 -0.386 3.626 3.960 0.086 0.000 0.283 87 G HA3 -0.386 3.614 3.960 0.067 0.000 0.283 87 G C -0.137 174.840 174.900 0.127 0.000 1.177 87 G CA 0.841 45.993 45.100 0.086 0.000 0.978 87 G HN -0.410 7.921 8.290 0.070 0.000 0.554 88 G N 2.751 111.619 108.800 0.114 0.000 2.432 88 G HA2 -0.234 3.818 3.960 0.153 0.000 0.219 88 G HA3 -0.234 3.782 3.960 0.094 0.000 0.219 88 G C -0.021 175.023 174.900 0.240 0.000 1.135 88 G CA 0.271 45.457 45.100 0.143 0.000 0.767 88 G HN 0.328 8.667 8.290 0.083 0.000 0.550 89 K N 0.467 120.976 120.400 0.180 0.000 2.237 89 K HA 0.040 4.644 4.320 0.283 -0.115 0.270 89 K C -1.485 175.203 176.600 0.146 0.000 1.015 89 K CA -0.252 56.150 56.287 0.190 0.000 0.949 89 K CB 1.022 33.570 32.500 0.080 0.000 0.976 89 K HN -0.787 7.518 8.250 0.121 0.018 0.472 90 L N 5.663 126.901 121.223 0.025 0.000 2.417 90 L HA 0.311 4.603 4.340 -0.235 -0.092 0.258 90 L C -1.400 175.271 176.870 -0.332 0.000 1.088 90 L CA -1.324 53.329 54.840 -0.312 0.000 0.975 90 L CB 0.088 41.597 42.059 -0.916 0.000 1.341 90 L HN 0.435 8.608 8.230 0.097 0.115 0.431 91 V N 6.982 126.754 119.914 -0.238 0.000 3.096 91 V HA -0.125 3.856 4.120 -0.232 0.000 0.306 91 V C -1.522 174.317 176.094 -0.426 0.000 1.088 91 V CA 1.508 63.657 62.300 -0.252 0.000 1.129 91 V CB 1.045 32.794 31.823 -0.122 0.000 1.014 91 V HN -0.017 8.073 8.190 -0.166 0.000 0.486 92 V N 0.676 120.245 119.914 -0.575 0.000 3.147 92 V HA 0.476 4.317 4.120 -0.663 -0.119 0.299 92 V C -2.787 172.671 176.094 -1.059 0.000 1.302 92 V CA -2.003 59.822 62.300 -0.791 0.000 1.015 92 V CB 3.755 35.069 31.823 -0.848 0.000 1.086 92 V HN -0.113 7.705 8.190 -0.621 0.000 0.437 93 N N 2.787 120.823 118.700 -1.106 0.000 2.357 93 N HA 0.488 4.709 4.740 -0.865 0.000 0.284 93 N C -1.804 172.953 175.510 -1.255 0.000 1.236 93 N CA -0.614 51.882 53.050 -0.925 0.000 0.774 93 N CB 4.788 43.071 38.487 -0.340 0.000 1.534 93 N HN -0.269 7.504 8.380 -1.011 0.000 0.478 94 F N -2.525 117.181 119.950 -0.407 0.000 2.662 94 F HA 0.451 4.759 4.527 -0.366 0.000 0.312 94 F C -2.520 173.124 175.800 -0.260 0.000 1.113 94 F CA -2.162 55.590 58.000 -0.413 0.000 0.951 94 F CB 2.098 40.730 39.000 -0.613 0.000 1.344 94 F HN 0.369 8.484 8.300 -0.307 0.000 0.462 95 P HA -0.093 4.311 4.420 -0.026 0.000 0.261 95 P C -1.071 176.239 177.300 0.016 0.000 1.183 95 P CA 1.286 64.372 63.100 -0.022 0.000 0.761 95 P CB -0.120 31.557 31.700 -0.040 0.000 0.785 96 N N -0.759 117.954 118.700 0.021 0.000 2.716 96 N HA -0.440 4.318 4.740 0.031 0.000 0.250 96 N C -1.700 173.886 175.510 0.126 0.000 1.033 96 N CA 1.437 54.511 53.050 0.040 0.000 0.727 96 N CB -1.019 37.471 38.487 0.005 0.000 0.950 96 N HN 0.471 8.853 8.380 0.003 0.000 0.541 97 Y N -3.171 117.146 120.300 0.029 0.000 2.522 97 Y HA 0.079 4.657 4.550 0.046 0.000 0.326 97 Y C -3.552 172.521 175.900 0.289 0.000 1.198 97 Y CA -0.212 57.932 58.100 0.074 0.000 1.112 97 Y CB 1.941 40.343 38.460 -0.098 0.000 1.342 97 Y HN -0.809 7.528 8.280 0.109 0.008 0.460 98 H N 5.387 124.336 119.070 -0.202 0.000 3.016 98 H HA 0.361 4.693 4.556 -0.373 0.000 0.362 98 H C -3.115 172.143 175.328 -0.116 0.000 1.233 98 H CA -0.517 55.382 56.048 -0.249 0.000 1.124 98 H CB 4.375 34.063 29.762 -0.123 0.000 1.850 98 H HN -0.140 8.327 8.280 0.312 0.000 0.549 99 Q N 1.498 120.856 119.800 -0.736 0.000 2.575 99 Q HA 0.398 4.752 4.340 0.023 0.000 0.290 99 Q C -2.494 173.269 176.000 -0.396 0.000 0.963 99 Q CA -1.041 54.609 55.803 -0.255 0.000 0.783 99 Q CB 4.491 33.203 28.738 -0.043 0.000 1.467 99 Q HN 0.052 7.348 8.270 -1.624 0.000 0.402 100 T N -1.407 113.054 114.554 -0.154 0.000 2.912 100 T HA 0.435 4.640 4.350 -0.242 0.000 0.299 100 T C -0.912 173.718 174.700 -0.116 0.000 1.052 100 T CA -1.210 60.804 62.100 -0.142 0.000 0.996 100 T CB 2.756 71.613 68.868 -0.019 0.000 1.070 100 T HN -0.103 8.089 8.240 -0.080 0.000 0.465 101 S N 3.359 118.986 115.700 -0.122 0.000 2.621 101 S HA 0.356 4.825 4.470 -0.002 0.000 0.302 101 S C -2.012 172.717 174.600 0.214 0.000 1.093 101 S CA -0.539 57.659 58.200 -0.004 0.000 1.017 101 S CB 2.427 65.561 63.200 -0.109 0.000 1.077 101 S HN 0.140 8.342 8.310 -0.180 0.000 0.517 102 E N 1.018 121.414 120.200 0.328 0.000 2.380 102 E HA 0.324 4.936 4.350 0.437 0.000 0.281 102 E C -2.584 174.064 176.600 0.080 0.000 0.999 102 E CA -0.924 55.638 56.400 0.269 0.000 0.800 102 E CB 4.226 34.001 29.700 0.124 0.000 1.228 102 E HN 0.413 8.931 8.360 0.263 0.000 0.436 103 I N 3.363 123.846 120.570 -0.145 0.000 2.331 103 I HA 0.567 4.832 4.170 -0.113 -0.163 0.292 103 I C -0.744 175.337 176.117 -0.061 0.000 0.998 103 I CA -2.589 58.606 61.300 -0.174 0.000 1.267 103 I CB -0.365 37.437 38.000 -0.331 0.000 1.386 103 I HN 0.452 8.563 8.210 -0.166 0.000 0.476 104 V N 6.035 125.940 119.914 -0.014 0.000 2.638 104 V HA 0.241 4.359 4.120 -0.004 0.000 0.306 104 V C 0.423 176.523 176.094 0.010 0.000 1.052 104 V CA -1.087 61.214 62.300 0.002 0.000 0.885 104 V CB 2.916 34.748 31.823 0.014 0.000 0.999 104 V HN 0.470 8.660 8.190 0.001 0.000 0.424 105 G N 5.619 114.423 108.800 0.007 0.000 2.321 105 G HA2 -0.320 3.644 3.960 0.007 0.000 0.287 105 G HA3 -0.320 3.648 3.960 0.014 0.000 0.287 105 G C -0.747 174.162 174.900 0.015 0.000 1.018 105 G CA 0.784 45.891 45.100 0.011 0.000 0.855 105 G HN 0.567 8.859 8.290 0.004 0.000 0.507 106 D N -2.076 118.332 120.400 0.013 0.000 2.723 106 D HA -0.367 4.289 4.640 0.026 0.000 0.236 106 D C -1.954 174.384 176.300 0.063 0.000 1.138 106 D CA 1.329 55.344 54.000 0.026 0.000 0.676 106 D CB 0.025 40.830 40.800 0.009 0.000 1.069 106 D HN 0.385 8.747 8.370 0.002 0.009 0.430 107 K N -4.972 115.474 120.400 0.078 0.000 2.469 107 K HA 0.333 4.758 4.320 0.176 0.000 0.254 107 K C -2.066 174.607 176.600 0.122 0.000 0.939 107 K CA -2.480 53.881 56.287 0.123 0.000 0.812 107 K CB 3.152 35.699 32.500 0.079 0.000 1.301 107 K HN -0.449 7.728 8.250 0.047 0.101 0.433 108 L N 5.006 126.327 121.223 0.163 0.000 2.278 108 L HA 0.212 4.517 4.340 -0.058 0.000 0.287 108 L C -2.155 174.735 176.870 0.033 0.000 1.072 108 L CA -0.419 54.410 54.840 -0.019 0.000 0.819 108 L CB 0.783 42.593 42.059 -0.414 0.000 1.176 108 L HN 0.302 8.698 8.230 0.277 0.000 0.435 109 V N 0.169 120.105 119.914 0.037 0.000 3.040 109 V HA 0.726 4.966 4.120 0.024 -0.105 0.312 109 V C -1.926 174.182 176.094 0.024 0.000 1.115 109 V CA -3.095 59.222 62.300 0.030 0.000 0.998 109 V CB 3.714 35.553 31.823 0.027 0.000 1.042 109 V HN 0.737 8.951 8.190 0.040 0.000 0.433 110 E N -0.175 120.006 120.200 -0.031 0.000 2.433 110 E HA 0.390 4.728 4.350 -0.021 0.000 0.278 110 E C -1.616 174.919 176.600 -0.108 0.000 0.976 110 E CA -1.352 55.006 56.400 -0.070 0.000 0.793 110 E CB 4.890 34.508 29.700 -0.138 0.000 1.311 110 E HN -0.099 8.232 8.360 -0.049 0.000 0.460 111 V N 1.833 121.690 119.914 -0.096 0.000 2.383 111 V HA 0.247 4.320 4.120 -0.079 0.000 0.264 111 V C -1.579 174.478 176.094 -0.062 0.000 1.001 111 V CA -0.865 61.397 62.300 -0.065 0.000 0.828 111 V CB 0.347 32.169 31.823 -0.003 0.000 1.069 111 V HN 0.638 8.778 8.190 -0.083 0.000 0.451 112 S N 8.315 123.911 115.700 -0.173 0.000 2.652 112 S HA 0.233 4.723 4.470 0.034 0.000 0.270 112 S C -1.454 173.260 174.600 0.190 0.000 1.243 112 S CA 0.734 58.897 58.200 -0.063 0.000 0.999 112 S CB 1.420 64.380 63.200 -0.401 0.000 0.973 112 S HN 0.125 8.236 8.310 -0.332 0.000 0.544 113 T N 0.761 115.603 114.554 0.480 0.000 2.942 113 T HA 0.468 5.254 4.350 0.483 -0.146 0.327 113 T C -2.264 172.785 174.700 0.581 0.000 1.360 113 T CA -0.103 62.288 62.100 0.484 0.000 1.055 113 T CB 3.244 72.283 68.868 0.284 0.000 1.261 113 T HN 0.005 8.604 8.240 0.598 0.000 0.485 114 I N 1.182 121.964 120.570 0.353 0.000 2.908 114 I HA 0.250 4.577 4.170 0.262 0.000 0.300 114 I C -1.291 174.840 176.117 0.022 0.000 1.385 114 I CA -1.261 60.122 61.300 0.138 0.000 1.004 114 I CB 3.206 41.009 38.000 -0.328 0.000 1.309 114 I HN 0.318 8.712 8.210 0.307 0.000 0.449 115 G N 6.710 115.507 108.800 -0.006 0.000 3.284 115 G HA2 -0.485 3.460 3.960 -0.025 0.000 0.351 115 G HA3 -0.485 3.436 3.960 -0.065 0.000 0.351 115 G C -0.207 174.697 174.900 0.007 0.000 1.232 115 G CA 1.579 46.664 45.100 -0.026 0.000 1.001 115 G HN 0.636 8.934 8.290 0.014 0.000 0.639 116 G N 0.733 109.539 108.800 0.011 0.000 4.831 116 G HA2 0.269 4.251 3.960 0.037 0.000 0.231 116 G HA3 0.269 4.238 3.960 0.015 0.000 0.231 116 G C -1.777 173.150 174.900 0.046 0.000 1.006 116 G CA -0.100 45.016 45.100 0.028 0.000 0.792 116 G HN -0.118 8.168 8.290 -0.006 0.000 0.546 117 V N -0.720 119.244 119.914 0.083 0.000 3.000 117 V HA 0.447 4.621 4.120 0.090 0.000 0.300 117 V C -2.010 174.197 176.094 0.188 0.000 1.251 117 V CA -1.585 60.782 62.300 0.112 0.000 0.972 117 V CB 3.126 35.006 31.823 0.095 0.000 1.065 117 V HN -0.299 7.951 8.190 0.100 0.000 0.431 118 T N 6.394 121.052 114.554 0.173 0.000 2.729 118 T HA -0.013 4.545 4.350 0.223 -0.074 0.298 118 T C -1.218 173.653 174.700 0.285 0.000 1.013 118 T CA 0.181 62.403 62.100 0.203 0.000 0.957 118 T CB 0.656 69.603 68.868 0.132 0.000 1.130 118 T HN 0.131 8.450 8.240 0.132 0.000 0.526 119 Y N -0.207 120.107 120.300 0.024 0.000 2.632 119 Y HA 0.218 4.904 4.550 -0.034 -0.156 0.291 119 Y C -2.336 173.498 175.900 -0.110 0.000 1.098 119 Y CA -2.308 55.727 58.100 -0.107 0.000 1.271 119 Y CB 1.143 39.315 38.460 -0.481 0.000 1.120 119 Y HN -0.082 8.292 8.280 0.156 0.000 0.574 120 E N 5.712 125.953 120.200 0.068 0.000 2.413 120 E HA 0.069 4.517 4.350 -0.105 -0.161 0.263 120 E C -1.021 175.528 176.600 -0.086 0.000 1.015 120 E CA 0.770 57.147 56.400 -0.039 0.000 0.916 120 E CB 1.117 30.835 29.700 0.029 0.000 0.947 120 E HN 0.124 8.569 8.360 0.142 0.000 0.440 121 R N 1.576 121.978 120.500 -0.163 0.000 2.854 121 R HA 0.503 4.852 4.340 0.015 0.000 0.271 121 R C -1.271 175.022 176.300 -0.011 0.000 0.994 121 R CA -1.546 54.496 56.100 -0.096 0.000 0.945 121 R CB 4.099 34.269 30.300 -0.216 0.000 1.194 121 R HN 0.252 8.327 8.270 -0.160 0.099 0.476 122 V N -0.398 119.540 119.914 0.040 0.000 2.841 122 V HA 0.351 4.497 4.120 0.043 0.000 0.310 122 V C -2.083 174.058 176.094 0.078 0.000 1.090 122 V CA -1.178 61.153 62.300 0.052 0.000 0.930 122 V CB 3.931 35.785 31.823 0.051 0.000 1.014 122 V HN -0.026 8.203 8.190 0.065 0.000 0.425 123 S N 4.142 119.901 115.700 0.098 0.000 2.706 123 S HA 0.396 5.126 4.470 0.129 -0.182 0.270 123 S C -1.436 173.280 174.600 0.193 0.000 1.163 123 S CA -1.138 57.150 58.200 0.146 0.000 1.042 123 S CB 1.215 64.513 63.200 0.163 0.000 1.079 123 S HN 0.680 9.045 8.310 0.091 0.000 0.474 124 K N 6.494 126.985 120.400 0.150 0.000 2.219 124 K HA -0.019 4.377 4.320 0.127 0.000 0.258 124 K C -0.838 175.862 176.600 0.167 0.000 1.008 124 K CA 0.706 57.071 56.287 0.129 0.000 0.928 124 K CB 1.338 33.875 32.500 0.061 0.000 0.983 124 K HN -0.268 8.234 8.250 0.116 -0.182 0.484 125 R N 0.939 121.497 120.500 0.098 0.000 2.486 125 R HA 0.253 4.593 4.340 -0.198 -0.119 0.286 125 R C -0.883 175.320 176.300 -0.162 0.000 0.999 125 R CA -0.324 55.726 56.100 -0.083 0.000 0.993 125 R CB 1.714 31.976 30.300 -0.063 0.000 1.084 125 R HN 0.323 8.637 8.270 0.075 0.000 0.487 126 L N -0.191 120.857 121.223 -0.291 0.000 3.064 126 L HA 0.446 4.697 4.340 -0.149 0.000 0.282 126 L C -3.047 173.691 176.870 -0.219 0.000 1.045 126 L CA -0.518 54.209 54.840 -0.187 0.000 0.986 126 L CB 2.789 44.783 42.059 -0.109 0.000 1.571 126 L HN -0.194 7.728 8.230 -0.515 0.000 0.377 127 A N 0.000 122.733 122.820 -0.145 0.000 2.254 127 A HA 0.000 4.230 4.320 -0.151 0.000 0.244 127 A CA 0.000 51.959 52.037 -0.130 0.000 0.836 127 A CB 0.000 18.927 19.000 -0.121 0.000 0.831 127 A HN 0.000 8.083 8.150 -0.111 0.000 0.486