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 1ja7_1_A DATA FIRST_RESID 1 DATA SEQUENCE KVFGRcELAA AMKRHGLDNY RGYSLGNWVc AAKFESNFNT QATNRNTDGS DATA SEQUENCE TDYGILQINS RWWcNDGRTP GSRNLcNIPc SALLSSDITA SVNcAKKIVS DATA SEQUENCE DGNGMNAWVA WRNRcKGTDV QAWIRGcRL 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 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1 K C 0.000 176.622 176.600 0.037 0.000 0.988 1 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 1 K CB 0.000 32.414 32.500 -0.144 0.000 1.064 2 V N 2.180 122.041 119.914 -0.089 0.000 2.488 2 V HA 0.489 4.599 4.120 -0.017 0.000 0.293 2 V C -1.156 174.880 176.094 -0.098 0.000 1.027 2 V CA -0.703 61.606 62.300 0.014 0.000 0.862 2 V CB 0.909 32.727 31.823 -0.008 0.000 1.008 2 V HN 0.527 8.717 8.190 0.000 0.000 0.428 3 F N 2.005 121.959 119.950 0.005 0.000 2.432 3 F HA 0.801 5.328 4.527 0.000 0.000 0.329 3 F C 1.172 176.839 175.800 -0.222 0.000 1.076 3 F CA -0.128 57.834 58.000 -0.064 0.000 1.018 3 F CB 1.599 40.590 39.000 -0.015 0.000 1.201 3 F HN 0.582 8.882 8.300 0.000 0.000 0.489 4 G N 1.080 109.839 108.800 -0.069 0.000 2.557 4 G HA2 0.256 4.206 3.960 -0.017 0.000 0.292 4 G HA3 0.256 4.206 3.960 -0.017 0.000 0.292 4 G C 0.743 175.386 174.900 -0.428 0.000 1.237 4 G CA -0.561 44.402 45.100 -0.228 0.000 0.978 4 G HN 0.733 9.023 8.290 0.000 0.000 0.498 5 R N -1.196 119.048 120.500 -0.426 0.000 2.070 5 R HA -0.098 4.232 4.340 -0.017 0.000 0.232 5 R C 2.123 178.353 176.300 -0.116 0.000 1.138 5 R CA 2.011 57.890 56.100 -0.368 0.000 0.936 5 R CB -0.711 29.510 30.300 -0.132 0.000 0.839 5 R HN 0.458 8.728 8.270 0.000 0.000 0.429 6 c N 1.078 119.646 118.600 -0.052 0.000 2.562 6 c HA 0.160 4.720 4.570 -0.017 0.000 0.266 6 c C 1.678 175.782 174.090 0.022 0.000 1.382 6 c CA -0.101 56.233 56.329 0.008 0.000 1.742 6 c CB -0.462 42.055 42.510 0.011 0.000 1.812 6 c HN 0.517 8.747 8.230 0.000 0.000 0.559 7 E N 0.013 120.222 120.200 0.015 0.000 2.389 7 E HA 0.109 4.449 4.350 -0.017 0.000 0.199 7 E C 1.756 178.487 176.600 0.218 0.000 0.978 7 E CA 0.183 56.635 56.400 0.087 0.000 0.912 7 E CB -0.095 29.638 29.700 0.056 0.000 0.907 7 E HN 0.600 8.960 8.360 0.000 0.000 0.494 8 L N 0.055 121.378 121.223 0.165 0.000 2.446 8 L HA 0.162 4.492 4.340 -0.017 0.000 0.219 8 L C 1.598 178.439 176.870 -0.048 0.000 1.116 8 L CA 0.619 55.498 54.840 0.065 0.000 0.844 8 L CB 0.185 42.274 42.059 0.049 0.000 0.970 8 L HN -0.038 8.192 8.230 0.000 0.000 0.457 9 A N -1.395 121.450 122.820 0.041 0.000 2.470 9 A HA 0.493 4.803 4.320 -0.017 0.000 0.251 9 A C 1.830 179.436 177.584 0.037 0.000 1.245 9 A CA 0.484 52.545 52.037 0.039 0.000 0.932 9 A CB -0.077 18.983 19.000 0.100 0.000 1.037 9 A HN 0.336 8.486 8.150 0.000 0.000 0.522 10 A N -0.527 122.319 122.820 0.044 0.000 2.178 10 A HA 0.482 4.792 4.320 -0.017 0.000 0.211 10 A C 1.963 179.569 177.584 0.036 0.000 1.157 10 A CA 1.097 53.159 52.037 0.042 0.000 0.780 10 A CB -0.301 18.727 19.000 0.048 0.000 0.828 10 A HN 0.879 9.029 8.150 0.000 0.000 0.476 11 A N -0.781 122.060 122.820 0.036 0.000 2.178 11 A HA 0.210 4.520 4.320 -0.017 0.000 0.211 11 A C 1.951 179.588 177.584 0.088 0.000 1.157 11 A CA 0.711 52.791 52.037 0.071 0.000 0.780 11 A CB -0.452 18.593 19.000 0.076 0.000 0.828 11 A HN 0.481 8.631 8.150 0.000 0.000 0.476 12 M N -0.784 118.810 119.600 -0.010 0.000 2.175 12 M HA -0.073 4.396 4.480 -0.017 0.000 0.264 12 M C 2.018 178.279 176.300 -0.065 0.000 1.063 12 M CA 1.460 56.713 55.300 -0.078 0.000 1.119 12 M CB -0.181 32.317 32.600 -0.170 0.000 1.377 12 M HN 0.351 8.641 8.290 0.000 0.000 0.415 13 K N 0.371 120.749 120.400 -0.037 0.000 2.525 13 K HA -0.076 4.234 4.320 -0.017 0.000 0.192 13 K C 1.806 178.371 176.600 -0.057 0.000 1.029 13 K CA 0.470 56.732 56.287 -0.041 0.000 1.029 13 K CB 0.158 32.653 32.500 -0.010 0.000 0.814 13 K HN 0.159 8.409 8.250 0.000 0.000 0.503 14 R N -0.688 119.783 120.500 -0.050 0.000 2.290 14 R HA 0.023 4.353 4.340 -0.017 0.000 0.197 14 R C -0.015 176.042 176.300 -0.404 0.000 0.913 14 R CA 0.534 56.542 56.100 -0.152 0.000 1.040 14 R CB 0.297 30.556 30.300 -0.068 0.000 0.992 14 R HN 0.241 8.511 8.270 0.000 0.000 0.500 15 H N -1.498 117.488 119.070 -0.140 0.000 2.562 15 H HA 0.286 4.831 4.556 -0.018 0.000 0.249 15 H C 0.359 175.530 175.328 -0.261 0.000 1.195 15 H CA 0.393 56.331 56.048 -0.184 0.000 0.938 15 H CB 1.428 31.077 29.762 -0.189 0.000 1.891 15 H HN 0.374 8.654 8.280 0.000 0.000 0.595 16 G N 0.683 109.373 108.800 -0.183 0.000 2.168 16 G HA2 -0.322 3.628 3.960 -0.017 0.000 0.257 16 G HA3 -0.322 3.628 3.960 -0.017 0.000 0.257 16 G C 0.896 175.627 174.900 -0.281 0.000 0.997 16 G CA 0.640 45.592 45.100 -0.248 0.000 0.708 16 G HN 0.504 8.794 8.290 0.000 0.000 0.520 17 L N -0.039 121.036 121.223 -0.247 0.000 2.509 17 L HA 0.187 4.517 4.340 -0.017 0.000 0.222 17 L C 1.250 178.062 176.870 -0.097 0.000 1.123 17 L CA 0.150 54.799 54.840 -0.319 0.000 0.856 17 L CB 0.082 41.773 42.059 -0.614 0.000 0.985 17 L HN 0.222 8.452 8.230 0.000 0.000 0.456 18 D N 1.386 121.781 120.400 -0.008 0.000 2.363 18 D HA -0.052 4.578 4.640 -0.017 0.000 0.263 18 D C 0.264 176.654 176.300 0.150 0.000 1.258 18 D CA 0.290 54.340 54.000 0.084 0.000 0.907 18 D CB -0.028 40.806 40.800 0.057 0.000 1.107 18 D HN 0.139 8.509 8.370 0.000 0.000 0.495 19 N N 2.274 121.107 118.700 0.221 0.000 2.721 19 N HA -0.320 4.410 4.740 -0.017 0.000 0.249 19 N C -0.958 174.670 175.510 0.196 0.000 1.072 19 N CA 0.299 53.473 53.050 0.207 0.000 0.710 19 N CB -1.284 37.277 38.487 0.123 0.000 0.993 19 N HN 0.442 8.822 8.380 0.000 0.000 0.547 20 Y N 1.433 121.806 120.300 0.123 0.000 2.335 20 Y HA 0.243 4.783 4.550 -0.016 0.000 0.331 20 Y C 0.693 176.642 175.900 0.082 0.000 1.094 20 Y CA -0.613 57.520 58.100 0.055 0.000 1.253 20 Y CB 0.585 39.029 38.460 -0.027 0.000 1.203 20 Y HN 0.068 8.348 8.280 0.000 0.000 0.508 21 R N 4.614 124.679 120.500 -0.725 0.000 3.188 21 R HA -0.202 4.128 4.340 -0.017 0.000 0.247 21 R C 1.003 177.064 176.300 -0.399 0.000 0.918 21 R CA 0.954 56.678 56.100 -0.626 0.000 0.629 21 R CB -2.129 27.685 30.300 -0.810 0.000 1.087 21 R HN 1.407 9.677 8.270 0.000 0.000 0.462 22 G N -1.262 107.370 108.800 -0.280 0.000 2.189 22 G HA2 -0.382 3.567 3.960 -0.017 0.000 0.267 22 G HA3 -0.382 3.567 3.960 -0.017 0.000 0.267 22 G C -0.288 174.462 174.900 -0.249 0.000 0.975 22 G CA 0.758 45.684 45.100 -0.290 0.000 0.644 22 G HN 0.428 8.718 8.290 0.000 0.000 0.537 23 Y N 1.045 121.384 120.300 0.065 0.000 2.341 23 Y HA 0.734 5.275 4.550 -0.017 0.000 0.337 23 Y C 0.734 176.750 175.900 0.194 0.000 1.014 23 Y CA -0.950 57.188 58.100 0.062 0.000 1.111 23 Y CB 1.828 40.319 38.460 0.052 0.000 1.194 23 Y HN 0.122 8.402 8.280 0.000 0.000 0.462 24 S N 1.963 117.800 115.700 0.227 0.000 2.632 24 S HA 0.146 4.606 4.470 -0.017 0.000 0.267 24 S C 1.158 175.915 174.600 0.262 0.000 1.276 24 S CA -0.583 57.737 58.200 0.199 0.000 0.998 24 S CB 0.529 63.792 63.200 0.106 0.000 0.953 24 S HN 0.745 9.055 8.310 0.000 0.000 0.547 25 L N 3.912 125.296 121.223 0.269 0.000 2.131 25 L HA 0.137 4.467 4.340 -0.017 0.000 0.210 25 L C 2.058 179.073 176.870 0.242 0.000 1.092 25 L CA 2.464 57.488 54.840 0.306 0.000 0.759 25 L CB -1.137 41.033 42.059 0.186 0.000 0.903 25 L HN 0.818 9.048 8.230 0.000 0.000 0.435 26 G N -1.082 107.802 108.800 0.139 0.000 2.511 26 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.217 26 G HA3 -0.199 3.751 3.960 -0.017 0.000 0.217 26 G C 1.268 176.191 174.900 0.037 0.000 1.133 26 G CA 0.343 45.516 45.100 0.122 0.000 0.792 26 G HN 0.464 8.754 8.290 0.000 0.000 0.539 27 N N -0.359 118.255 118.700 -0.143 0.000 2.521 27 N HA -0.003 4.727 4.740 -0.017 0.000 0.188 27 N C 1.075 176.111 175.510 -0.789 0.000 1.146 27 N CA 0.423 53.200 53.050 -0.454 0.000 0.893 27 N CB 0.035 38.123 38.487 -0.666 0.000 0.975 27 N HN 0.582 8.962 8.380 0.000 0.000 0.451 28 W N -0.210 120.992 121.300 -0.163 0.000 3.103 28 W HA 0.116 4.766 4.660 -0.017 0.000 0.258 28 W C 2.074 178.440 176.519 -0.255 0.000 1.001 28 W CA -0.256 56.935 57.345 -0.257 0.000 1.940 28 W CB -0.625 28.713 29.460 -0.203 0.000 1.116 28 W HN -0.258 7.922 8.180 0.000 0.000 0.600 29 V N 0.612 120.570 119.914 0.073 0.000 2.688 29 V HA -0.334 3.776 4.120 -0.017 0.000 0.256 29 V C 2.095 178.021 176.094 -0.280 0.000 1.084 29 V CA 1.574 63.861 62.300 -0.021 0.000 1.103 29 V CB -1.394 30.500 31.823 0.119 0.000 0.688 29 V HN 0.509 8.699 8.190 0.000 0.000 0.480 30 c N 1.037 119.342 118.600 -0.493 0.000 2.413 30 c HA -0.191 4.369 4.570 -0.017 0.000 0.278 30 c C 3.096 176.793 174.090 -0.655 0.000 1.224 30 c CA 1.248 56.883 56.329 -1.156 0.000 1.732 30 c CB -1.203 40.689 42.510 -1.030 0.000 2.050 30 c HN 0.580 8.810 8.230 0.000 0.000 0.463 31 A N 0.109 122.772 122.820 -0.260 0.000 2.019 31 A HA 0.147 4.457 4.320 -0.017 0.000 0.219 31 A C 2.416 179.898 177.584 -0.170 0.000 1.164 31 A CA 2.054 54.060 52.037 -0.053 0.000 0.644 31 A CB -0.972 17.966 19.000 -0.104 0.000 0.805 31 A HN 0.951 9.101 8.150 0.000 0.000 0.449 32 A N -0.106 122.534 122.820 -0.300 0.000 1.972 32 A HA -0.138 4.172 4.320 -0.017 0.000 0.219 32 A C 2.010 179.276 177.584 -0.529 0.000 1.169 32 A CA 2.144 53.995 52.037 -0.311 0.000 0.635 32 A CB -0.306 18.544 19.000 -0.250 0.000 0.810 32 A HN 0.415 8.565 8.150 0.000 0.000 0.446 33 K N -1.388 118.490 120.400 -0.871 0.000 2.432 33 K HA 0.077 4.387 4.320 -0.017 0.000 0.196 33 K C 0.263 176.347 176.600 -0.861 0.000 1.038 33 K CA 0.807 56.399 56.287 -1.157 0.000 0.986 33 K CB -0.360 31.335 32.500 -1.341 0.000 0.782 33 K HN 0.378 8.628 8.250 0.000 0.000 0.485 34 F N -0.147 119.630 119.950 -0.289 0.000 2.678 34 F HA 0.324 4.842 4.527 -0.014 0.000 0.305 34 F C 1.295 177.047 175.800 -0.080 0.000 1.090 34 F CA -0.130 57.776 58.000 -0.157 0.000 1.272 34 F CB 0.710 39.618 39.000 -0.154 0.000 1.060 34 F HN 0.007 8.307 8.300 0.000 0.000 0.576 35 E N -1.553 118.668 120.200 0.035 0.000 2.467 35 E HA 0.241 4.581 4.350 -0.017 0.000 0.213 35 E C 0.913 177.533 176.600 0.033 0.000 0.823 35 E CA 0.434 56.877 56.400 0.073 0.000 1.233 35 E CB 0.748 30.528 29.700 0.132 0.000 1.233 35 E HN 0.051 8.411 8.360 0.000 0.000 0.585 36 S N 0.700 116.388 115.700 -0.021 0.000 2.874 36 S HA 0.048 4.508 4.470 -0.017 0.000 0.257 36 S C -0.095 174.489 174.600 -0.027 0.000 0.975 36 S CA -0.258 57.939 58.200 -0.005 0.000 1.326 36 S CB 0.274 63.487 63.200 0.021 0.000 1.215 36 S HN 0.185 8.495 8.310 0.000 0.000 0.679 37 N N 1.483 120.110 118.700 -0.121 0.000 2.671 37 N HA -0.228 4.502 4.740 -0.017 0.000 0.261 37 N C -0.375 175.119 175.510 -0.026 0.000 1.053 37 N CA 0.585 53.531 53.050 -0.173 0.000 0.732 37 N CB -2.055 36.406 38.487 -0.044 0.000 0.887 37 N HN 0.327 8.707 8.380 0.000 0.000 0.546 38 F N -3.536 116.405 119.950 -0.015 0.000 3.069 38 F HA -0.310 4.208 4.527 -0.015 0.000 0.285 38 F C 0.797 176.652 175.800 0.092 0.000 0.827 38 F CA 1.133 59.147 58.000 0.022 0.000 1.108 38 F CB -1.824 37.215 39.000 0.065 0.000 1.252 38 F HN 0.567 8.867 8.300 0.000 0.000 0.483 39 N N -0.148 118.666 118.700 0.190 0.000 2.314 39 N HA 0.453 5.183 4.740 -0.017 0.000 0.294 39 N C 0.837 176.420 175.510 0.122 0.000 1.029 39 N CA 0.253 53.410 53.050 0.178 0.000 0.845 39 N CB 1.462 40.027 38.487 0.130 0.000 1.321 39 N HN 0.060 8.440 8.380 0.000 0.000 0.481 40 T N 0.410 115.053 114.554 0.148 0.000 2.978 40 T HA -0.034 4.306 4.350 -0.017 0.000 0.262 40 T C 1.105 175.861 174.700 0.092 0.000 1.063 40 T CA 0.864 63.027 62.100 0.105 0.000 1.140 40 T CB -0.157 68.786 68.868 0.126 0.000 0.886 40 T HN 0.545 8.785 8.240 0.000 0.000 0.470 41 Q N 1.192 121.048 119.800 0.094 0.000 2.466 41 Q HA 0.354 4.684 4.340 -0.017 0.000 0.210 41 Q C 0.517 176.548 176.000 0.052 0.000 0.961 41 Q CA -0.077 55.769 55.803 0.072 0.000 0.953 41 Q CB -0.069 28.708 28.738 0.066 0.000 1.011 41 Q HN 0.634 8.904 8.270 0.000 0.000 0.516 42 A N 1.744 124.594 122.820 0.050 0.000 2.506 42 A HA 0.283 4.593 4.320 -0.017 0.000 0.320 42 A C 0.113 177.702 177.584 0.008 0.000 1.424 42 A CA -0.340 51.714 52.037 0.028 0.000 1.044 42 A CB -0.115 18.905 19.000 0.034 0.000 1.140 42 A HN 0.160 8.310 8.150 0.000 0.000 0.538 43 T N 0.366 114.902 114.554 -0.029 0.000 2.856 43 T HA 0.705 5.045 4.350 -0.017 0.000 0.283 43 T C -0.626 173.993 174.700 -0.136 0.000 1.008 43 T CA -0.820 61.215 62.100 -0.108 0.000 0.997 43 T CB 1.076 69.833 68.868 -0.185 0.000 0.992 43 T HN 0.527 8.767 8.240 0.000 0.000 0.454 44 N N 0.664 119.266 118.700 -0.163 0.000 2.264 44 N HA 0.441 5.171 4.740 -0.017 0.000 0.288 44 N C -1.151 174.278 175.510 -0.135 0.000 1.094 44 N CA -0.984 51.994 53.050 -0.120 0.000 0.817 44 N CB 2.432 40.888 38.487 -0.053 0.000 1.604 44 N HN 0.700 9.080 8.380 0.000 0.000 0.473 45 R N 1.382 121.819 120.500 -0.104 0.000 2.500 45 R HA 0.368 4.698 4.340 -0.017 0.000 0.275 45 R C -0.713 175.568 176.300 -0.031 0.000 1.051 45 R CA -0.376 55.681 56.100 -0.073 0.000 1.088 45 R CB 0.478 30.745 30.300 -0.054 0.000 1.063 45 R HN 0.562 8.832 8.270 0.000 0.000 0.511 46 N N 0.336 119.029 118.700 -0.011 0.000 2.483 46 N HA 0.155 4.885 4.740 -0.017 0.000 0.285 46 N C 0.342 175.854 175.510 0.003 0.000 1.210 46 N CA -0.485 52.567 53.050 0.004 0.000 0.931 46 N CB 1.569 40.068 38.487 0.020 0.000 1.220 46 N HN 0.530 8.910 8.380 0.000 0.000 0.542 47 T N -0.136 114.422 114.554 0.007 0.000 2.849 47 T HA -0.170 4.170 4.350 -0.017 0.000 0.270 47 T C 0.759 175.461 174.700 0.003 0.000 1.066 47 T CA 1.568 63.670 62.100 0.005 0.000 1.130 47 T CB -0.332 68.541 68.868 0.008 0.000 0.864 47 T HN 0.655 8.895 8.240 0.000 0.000 0.481 48 D N 0.351 120.755 120.400 0.007 0.000 2.363 48 D HA 0.202 4.832 4.640 -0.017 0.000 0.226 48 D C 1.575 177.870 176.300 -0.008 0.000 1.020 48 D CA 0.724 54.725 54.000 0.002 0.000 0.892 48 D CB -0.757 40.052 40.800 0.016 0.000 0.900 48 D HN 0.390 8.760 8.370 0.000 0.000 0.531 49 G N 0.165 108.963 108.800 -0.004 0.000 2.212 49 G HA2 -0.327 3.623 3.960 -0.017 0.000 0.266 49 G HA3 -0.327 3.623 3.960 -0.017 0.000 0.266 49 G C 0.442 175.344 174.900 0.003 0.000 0.978 49 G CA 0.540 45.637 45.100 -0.006 0.000 0.632 49 G HN 0.923 9.213 8.290 0.000 0.000 0.537 50 S N 0.890 116.595 115.700 0.009 0.000 2.422 50 S HA 0.564 5.024 4.470 -0.017 0.000 0.283 50 S C 0.300 174.939 174.600 0.066 0.000 1.163 50 S CA 0.464 58.686 58.200 0.036 0.000 1.054 50 S CB 1.334 64.554 63.200 0.034 0.000 0.967 50 S HN 0.520 8.830 8.310 0.000 0.000 0.499 51 T N 4.624 119.244 114.554 0.109 0.000 2.851 51 T HA 0.197 4.537 4.350 -0.017 0.000 0.298 51 T C -0.039 174.696 174.700 0.057 0.000 0.977 51 T CA -0.260 61.844 62.100 0.008 0.000 1.126 51 T CB 0.312 69.131 68.868 -0.081 0.000 0.916 51 T HN 0.634 8.874 8.240 0.000 0.000 0.529 52 D N 1.294 121.634 120.400 -0.100 0.000 2.312 52 D HA 0.393 5.023 4.640 -0.017 0.000 0.248 52 D C -0.631 175.563 176.300 -0.176 0.000 1.086 52 D CA 0.045 54.062 54.000 0.029 0.000 0.948 52 D CB 0.791 41.602 40.800 0.017 0.000 1.162 52 D HN 0.452 8.822 8.370 0.000 0.000 0.446 53 Y N -0.765 119.568 120.300 0.055 0.000 2.504 53 Y HA 0.480 5.019 4.550 -0.018 0.000 0.344 53 Y C 0.871 176.800 175.900 0.049 0.000 1.023 53 Y CA -0.474 57.655 58.100 0.049 0.000 1.020 53 Y CB 2.138 40.627 38.460 0.048 0.000 1.282 53 Y HN 0.649 8.929 8.280 0.000 0.000 0.454 54 G N 1.494 110.395 108.800 0.167 0.000 2.782 54 G HA2 -0.284 3.666 3.960 -0.017 0.000 0.228 54 G HA3 -0.284 3.666 3.960 -0.017 0.000 0.228 54 G C 0.341 175.291 174.900 0.082 0.000 1.372 54 G CA -0.037 45.132 45.100 0.115 0.000 0.862 54 G HN 0.851 9.141 8.290 0.000 0.000 0.547 55 I N 0.283 120.890 120.570 0.061 0.000 2.614 55 I HA 0.039 4.199 4.170 -0.017 0.000 0.258 55 I C 2.492 178.651 176.117 0.071 0.000 1.189 55 I CA 1.526 62.849 61.300 0.040 0.000 1.462 55 I CB -0.229 37.770 38.000 -0.002 0.000 1.092 55 I HN 0.473 8.683 8.210 0.000 0.000 0.442 56 L N -0.054 121.235 121.223 0.109 0.000 2.291 56 L HA -0.054 4.276 4.340 -0.017 0.000 0.214 56 L C 0.620 177.626 176.870 0.226 0.000 1.120 56 L CA 0.299 55.267 54.840 0.213 0.000 0.799 56 L CB -0.414 41.766 42.059 0.202 0.000 0.925 56 L HN 0.281 8.511 8.230 0.000 0.000 0.446 57 Q N 0.476 120.363 119.800 0.145 0.000 2.459 57 Q HA -0.163 4.166 4.340 -0.017 0.000 0.314 57 Q C -0.529 175.527 176.000 0.093 0.000 1.432 57 Q CA 0.870 56.740 55.803 0.112 0.000 0.823 57 Q CB -1.972 26.836 28.738 0.117 0.000 1.124 57 Q HN 0.470 8.740 8.270 0.000 0.000 0.392 58 I N 1.612 122.262 120.570 0.134 0.000 2.353 58 I HA 0.134 4.293 4.170 -0.017 0.000 0.293 58 I C 0.926 177.205 176.117 0.270 0.000 0.992 58 I CA -0.612 60.774 61.300 0.144 0.000 1.268 58 I CB 1.081 39.155 38.000 0.124 0.000 1.387 58 I HN 0.245 8.455 8.210 0.000 0.000 0.478 59 N N 2.921 121.787 118.700 0.276 0.000 2.529 59 N HA 0.115 4.845 4.740 -0.017 0.000 0.278 59 N C 0.756 176.426 175.510 0.266 0.000 1.146 59 N CA -0.637 52.576 53.050 0.271 0.000 0.980 59 N CB 1.106 39.719 38.487 0.210 0.000 1.124 59 N HN 0.605 8.985 8.380 0.000 0.000 0.458 60 S N 0.907 116.757 115.700 0.250 0.000 2.507 60 S HA -0.194 4.266 4.470 -0.017 0.000 0.235 60 S C 1.676 176.284 174.600 0.013 0.000 0.988 60 S CA 0.246 58.520 58.200 0.124 0.000 0.944 60 S CB -0.373 62.933 63.200 0.177 0.000 0.762 60 S HN 0.715 9.025 8.310 0.000 0.000 0.526 61 R N 0.281 120.767 120.500 -0.023 0.000 2.075 61 R HA -0.064 4.266 4.340 -0.017 0.000 0.230 61 R C 1.708 177.791 176.300 -0.363 0.000 1.140 61 R CA 1.895 57.855 56.100 -0.233 0.000 0.928 61 R CB -0.292 29.836 30.300 -0.286 0.000 0.834 61 R HN 0.565 8.835 8.270 0.000 0.000 0.429 62 W N -1.621 119.550 121.300 -0.215 0.000 2.574 62 W HA 0.110 4.760 4.660 -0.018 0.000 0.282 62 W C 1.826 177.943 176.519 -0.672 0.000 1.197 62 W CA -0.318 56.702 57.345 -0.543 0.000 1.376 62 W CB -0.278 28.672 29.460 -0.850 0.000 1.091 62 W HN 0.152 8.332 8.180 0.000 0.000 0.569 63 W N -0.598 120.815 121.300 0.188 0.000 2.630 63 W HA 0.139 4.789 4.660 -0.016 0.000 0.275 63 W C 1.172 177.705 176.519 0.023 0.000 1.192 63 W CA 0.425 57.824 57.345 0.089 0.000 1.410 63 W CB -0.521 28.970 29.460 0.052 0.000 1.075 63 W HN -0.294 7.886 8.180 0.000 0.000 0.581 64 c N -1.149 117.549 118.600 0.163 0.000 3.119 64 c HA 0.615 5.175 4.570 -0.017 0.000 0.359 64 c C -0.256 173.806 174.090 -0.047 0.000 1.486 64 c CA -1.275 55.075 56.329 0.035 0.000 1.556 64 c CB 0.677 43.164 42.510 -0.039 0.000 2.063 64 c HN 0.161 8.391 8.230 0.000 0.000 0.454 65 N N 1.298 119.947 118.700 -0.085 0.000 2.462 65 N HA 0.389 5.119 4.740 -0.017 0.000 0.242 65 N C 0.059 175.491 175.510 -0.130 0.000 1.010 65 N CA 0.092 53.091 53.050 -0.086 0.000 0.939 65 N CB 0.459 38.910 38.487 -0.060 0.000 1.127 65 N HN 0.838 9.218 8.380 0.000 0.000 0.509 66 D N 1.892 122.235 120.400 -0.095 0.000 2.449 66 D HA 0.157 4.787 4.640 -0.017 0.000 0.255 66 D C 1.137 177.431 176.300 -0.010 0.000 1.121 66 D CA 0.557 54.520 54.000 -0.061 0.000 0.830 66 D CB -0.302 40.490 40.800 -0.013 0.000 1.280 66 D HN 0.589 8.959 8.370 0.000 0.000 0.522 67 G N 2.205 110.993 108.800 -0.020 0.000 2.234 67 G HA2 -0.421 3.529 3.960 -0.017 0.000 0.260 67 G HA3 -0.421 3.529 3.960 -0.017 0.000 0.260 67 G C 1.285 176.180 174.900 -0.009 0.000 0.987 67 G CA 0.626 45.717 45.100 -0.015 0.000 0.625 67 G HN 0.604 8.894 8.290 0.000 0.000 0.532 68 R N -0.354 120.150 120.500 0.006 0.000 2.300 68 R HA 0.311 4.641 4.340 -0.017 0.000 0.199 68 R C 0.206 176.499 176.300 -0.011 0.000 0.920 68 R CA 0.920 57.023 56.100 0.005 0.000 1.046 68 R CB 0.040 30.355 30.300 0.025 0.000 0.984 68 R HN 0.229 8.499 8.270 0.000 0.000 0.493 69 T N 3.643 118.184 114.554 -0.023 0.000 3.029 69 T HA 0.357 4.697 4.350 -0.017 0.000 0.346 69 T C -2.505 172.148 174.700 -0.079 0.000 1.211 69 T CA -1.591 60.475 62.100 -0.056 0.000 1.009 69 T CB 1.645 70.475 68.868 -0.063 0.000 1.084 69 T HN 0.046 8.286 8.240 0.000 0.000 0.536 70 P HA 0.380 4.800 4.420 0.000 0.000 0.277 70 P C 1.038 178.270 177.300 -0.113 0.000 1.240 70 P CA 0.371 63.423 63.100 -0.080 0.000 0.798 70 P CB 0.724 32.386 31.700 -0.062 0.000 0.979 71 G N 0.868 109.604 108.800 -0.107 0.000 2.162 71 G HA2 -0.263 3.687 3.960 -0.017 0.000 0.260 71 G HA3 -0.263 3.687 3.960 -0.017 0.000 0.260 71 G C 0.502 175.292 174.900 -0.183 0.000 0.976 71 G CA 0.366 45.388 45.100 -0.131 0.000 0.655 71 G HN 0.765 9.055 8.290 0.000 0.000 0.533 72 S N -0.461 115.135 115.700 -0.173 0.000 2.549 72 S HA 0.452 4.912 4.470 -0.017 0.000 0.279 72 S C 1.872 176.381 174.600 -0.152 0.000 1.321 72 S CA 0.429 58.505 58.200 -0.206 0.000 1.054 72 S CB 0.725 63.834 63.200 -0.153 0.000 0.899 72 S HN 0.448 8.758 8.310 0.000 0.000 0.497 73 R N 2.810 123.211 120.500 -0.165 0.000 2.062 73 R HA -0.008 4.321 4.340 -0.017 0.000 0.229 73 R C 0.471 176.735 176.300 -0.061 0.000 1.128 73 R CA 0.923 56.964 56.100 -0.099 0.000 0.960 73 R CB -0.449 29.797 30.300 -0.089 0.000 0.855 73 R HN 0.856 9.126 8.270 0.000 0.000 0.432 74 N N 0.174 118.843 118.700 -0.052 0.000 2.726 74 N HA -0.163 4.566 4.740 -0.017 0.000 0.253 74 N C 0.067 175.606 175.510 0.048 0.000 1.059 74 N CA 0.219 53.275 53.050 0.009 0.000 0.701 74 N CB -1.130 37.352 38.487 -0.008 0.000 0.899 74 N HN 0.241 8.621 8.380 0.000 0.000 0.548 75 L N -0.956 120.318 121.223 0.085 0.000 2.179 75 L HA -0.073 4.257 4.340 -0.017 0.000 0.208 75 L C 2.261 179.248 176.870 0.196 0.000 1.096 75 L CA 1.161 56.085 54.840 0.139 0.000 0.779 75 L CB -0.293 41.870 42.059 0.174 0.000 0.922 75 L HN 0.505 8.735 8.230 0.000 0.000 0.443 76 c N -0.235 118.520 118.600 0.259 0.000 2.419 76 c HA -0.053 4.507 4.570 -0.017 0.000 0.281 76 c C 1.236 175.385 174.090 0.099 0.000 1.336 76 c CA -0.134 56.307 56.329 0.187 0.000 1.770 76 c CB -1.209 41.414 42.510 0.188 0.000 1.929 76 c HN 0.647 8.877 8.230 0.000 0.000 0.509 77 N N 0.271 119.019 118.700 0.080 0.000 2.740 77 N HA -0.162 4.568 4.740 -0.017 0.000 0.248 77 N C -0.721 174.805 175.510 0.026 0.000 1.062 77 N CA 0.956 54.032 53.050 0.043 0.000 0.704 77 N CB -1.122 37.389 38.487 0.040 0.000 0.968 77 N HN 0.567 8.947 8.380 0.000 0.000 0.547 78 I N 0.307 120.889 120.570 0.021 0.000 2.656 78 I HA 0.294 4.454 4.170 -0.017 0.000 0.292 78 I C -2.198 173.906 176.117 -0.022 0.000 1.144 78 I CA -1.793 59.508 61.300 0.002 0.000 1.038 78 I CB 2.859 40.861 38.000 0.004 0.000 1.244 78 I HN -0.213 7.997 8.210 0.000 0.000 0.420 79 P HA 0.058 4.478 4.420 0.000 0.000 0.268 79 P C 0.660 177.901 177.300 -0.099 0.000 1.204 79 P CA -0.079 62.982 63.100 -0.064 0.000 0.768 79 P CB 0.891 32.566 31.700 -0.042 0.000 0.842 80 c N 2.103 120.581 118.600 -0.203 0.000 2.403 80 c HA -0.137 4.423 4.570 -0.017 0.000 0.277 80 c C 2.714 176.706 174.090 -0.163 0.000 1.248 80 c CA 1.861 57.992 56.329 -0.330 0.000 1.762 80 c CB -1.875 40.063 42.510 -0.953 0.000 2.014 80 c HN 0.701 8.931 8.230 0.000 0.000 0.486 81 S N 1.160 116.802 115.700 -0.097 0.000 2.603 81 S HA 0.143 4.603 4.470 -0.017 0.000 0.229 81 S C 1.498 176.107 174.600 0.016 0.000 0.972 81 S CA 0.850 59.059 58.200 0.016 0.000 0.935 81 S CB -0.346 62.872 63.200 0.031 0.000 0.769 81 S HN 0.655 8.965 8.310 0.000 0.000 0.536 82 A N 0.786 123.601 122.820 -0.008 0.000 2.238 82 A HA 0.441 4.751 4.320 -0.017 0.000 0.208 82 A C 1.766 179.354 177.584 0.007 0.000 1.177 82 A CA 0.256 52.293 52.037 -0.000 0.000 0.804 82 A CB -0.405 18.589 19.000 -0.010 0.000 0.823 82 A HN 0.556 8.706 8.150 0.000 0.000 0.482 83 L N -1.755 119.479 121.223 0.019 0.000 2.453 83 L HA 0.138 4.468 4.340 -0.017 0.000 0.190 83 L C 2.091 178.986 176.870 0.041 0.000 1.093 83 L CA 0.249 55.102 54.840 0.022 0.000 0.834 83 L CB -0.627 41.452 42.059 0.034 0.000 1.090 83 L HN 0.249 8.479 8.230 0.000 0.000 0.489 84 L N 0.080 121.346 121.223 0.071 0.000 2.197 84 L HA -0.197 4.133 4.340 -0.017 0.000 0.215 84 L C 1.707 178.623 176.870 0.077 0.000 1.095 84 L CA 0.433 55.324 54.840 0.085 0.000 0.764 84 L CB -0.525 41.600 42.059 0.110 0.000 0.897 84 L HN 0.198 8.428 8.230 0.000 0.000 0.436 85 S N -0.710 115.027 115.700 0.063 0.000 2.587 85 S HA -0.026 4.434 4.470 -0.017 0.000 0.260 85 S C 1.613 176.259 174.600 0.076 0.000 1.353 85 S CA 0.158 58.395 58.200 0.061 0.000 0.995 85 S CB 1.125 64.352 63.200 0.045 0.000 0.912 85 S HN 0.403 8.713 8.310 0.000 0.000 0.568 86 S N 1.227 116.975 115.700 0.080 0.000 2.402 86 S HA -0.151 4.309 4.470 -0.017 0.000 0.233 86 S C 0.454 175.125 174.600 0.118 0.000 1.030 86 S CA 1.344 59.611 58.200 0.111 0.000 1.003 86 S CB -0.426 62.815 63.200 0.068 0.000 0.813 86 S HN 0.770 9.080 8.310 0.000 0.000 0.477 87 D N 1.193 121.636 120.400 0.073 0.000 2.317 87 D HA 0.341 4.971 4.640 -0.017 0.000 0.234 87 D C 0.361 176.675 176.300 0.023 0.000 1.112 87 D CA -0.835 53.199 54.000 0.058 0.000 0.840 87 D CB 1.101 41.928 40.800 0.046 0.000 1.078 87 D HN 0.288 8.658 8.370 0.000 0.000 0.486 88 I N 1.336 121.900 120.570 -0.011 0.000 3.914 88 I HA 0.206 4.366 4.170 -0.017 0.000 0.333 88 I C 1.346 177.362 176.117 -0.168 0.000 1.449 88 I CA -0.398 60.852 61.300 -0.083 0.000 1.135 88 I CB -0.889 37.037 38.000 -0.124 0.000 1.073 88 I HN 0.128 8.338 8.210 0.000 0.000 0.401 89 T N 1.509 116.011 114.554 -0.085 0.000 2.802 89 T HA -0.151 4.189 4.350 -0.017 0.000 0.269 89 T C 1.642 176.312 174.700 -0.050 0.000 1.062 89 T CA 2.232 64.320 62.100 -0.020 0.000 1.133 89 T CB -0.032 68.894 68.868 0.097 0.000 0.852 89 T HN 0.670 8.910 8.240 0.000 0.000 0.485 90 A N -0.204 122.578 122.820 -0.064 0.000 2.259 90 A HA 0.353 4.663 4.320 -0.017 0.000 0.213 90 A C 2.280 179.816 177.584 -0.079 0.000 1.209 90 A CA 0.380 52.389 52.037 -0.046 0.000 0.910 90 A CB -0.002 18.989 19.000 -0.014 0.000 0.946 90 A HN 0.335 8.485 8.150 0.000 0.000 0.497 91 S N 0.243 115.880 115.700 -0.105 0.000 2.423 91 S HA -0.159 4.301 4.470 -0.017 0.000 0.238 91 S C 1.570 176.108 174.600 -0.103 0.000 1.028 91 S CA 1.770 59.916 58.200 -0.089 0.000 1.000 91 S CB -0.258 62.886 63.200 -0.093 0.000 0.797 91 S HN 0.396 8.706 8.310 0.000 0.000 0.487 92 V N 1.618 121.439 119.914 -0.154 0.000 3.406 92 V HA 0.019 4.128 4.120 -0.017 0.000 0.263 92 V C 1.598 177.621 176.094 -0.119 0.000 1.172 92 V CA 0.656 62.862 62.300 -0.157 0.000 1.140 92 V CB -0.885 30.799 31.823 -0.233 0.000 0.784 92 V HN 0.471 8.661 8.190 0.000 0.000 0.467 93 N N -0.526 118.124 118.700 -0.084 0.000 2.272 93 N HA -0.213 4.516 4.740 -0.017 0.000 0.185 93 N C 1.833 177.313 175.510 -0.050 0.000 1.014 93 N CA 1.520 54.533 53.050 -0.062 0.000 0.870 93 N CB -0.199 38.269 38.487 -0.032 0.000 0.975 93 N HN 0.520 8.900 8.380 0.000 0.000 0.433 94 c N 0.071 118.636 118.600 -0.060 0.000 2.522 94 c HA 0.247 4.807 4.570 -0.017 0.000 0.280 94 c C 2.766 176.774 174.090 -0.136 0.000 1.303 94 c CA 0.620 56.897 56.329 -0.086 0.000 1.709 94 c CB -0.986 41.474 42.510 -0.083 0.000 2.071 94 c HN 0.480 8.710 8.230 0.000 0.000 0.492 95 A N 0.058 122.829 122.820 -0.082 0.000 2.015 95 A HA -0.129 4.181 4.320 -0.017 0.000 0.219 95 A C 2.096 179.712 177.584 0.054 0.000 1.163 95 A CA 1.441 53.504 52.037 0.042 0.000 0.646 95 A CB -0.526 18.544 19.000 0.117 0.000 0.806 95 A HN 0.751 8.901 8.150 0.000 0.000 0.448 96 K N -0.526 119.857 120.400 -0.029 0.000 2.365 96 K HA -0.047 4.263 4.320 -0.017 0.000 0.199 96 K C 1.587 178.271 176.600 0.141 0.000 1.045 96 K CA 1.230 57.520 56.287 0.004 0.000 0.962 96 K CB 0.014 32.422 32.500 -0.152 0.000 0.759 96 K HN 0.458 8.708 8.250 0.000 0.000 0.469 97 K N -0.085 120.348 120.400 0.056 0.000 2.350 97 K HA 0.187 4.497 4.320 -0.017 0.000 0.196 97 K C 1.643 178.256 176.600 0.021 0.000 1.084 97 K CA 0.110 56.432 56.287 0.059 0.000 0.967 97 K CB 0.341 32.861 32.500 0.033 0.000 0.950 97 K HN -0.030 8.220 8.250 0.000 0.000 0.512 98 I N 1.325 121.836 120.570 -0.099 0.000 2.657 98 I HA -0.247 3.912 4.170 -0.017 0.000 0.261 98 I C 1.781 177.923 176.117 0.042 0.000 1.212 98 I CA 0.936 62.099 61.300 -0.229 0.000 1.453 98 I CB -0.080 37.605 38.000 -0.524 0.000 1.092 98 I HN -0.049 8.161 8.210 0.000 0.000 0.452 99 V N -0.791 119.225 119.914 0.170 0.000 2.599 99 V HA -0.151 3.959 4.120 -0.017 0.000 0.245 99 V C 2.345 178.511 176.094 0.120 0.000 1.046 99 V CA 1.619 64.058 62.300 0.231 0.000 1.065 99 V CB 0.240 32.273 31.823 0.349 0.000 0.703 99 V HN 0.430 8.620 8.190 0.000 0.000 0.464 100 S N 0.149 115.902 115.700 0.088 0.000 2.500 100 S HA -0.231 4.228 4.470 -0.017 0.000 0.239 100 S C 1.716 176.347 174.600 0.052 0.000 0.989 100 S CA 1.444 59.671 58.200 0.045 0.000 0.951 100 S CB -0.569 62.662 63.200 0.051 0.000 0.759 100 S HN 0.684 8.994 8.310 0.000 0.000 0.523 101 D N 0.723 121.170 120.400 0.078 0.000 2.271 101 D HA -0.049 4.581 4.640 -0.017 0.000 0.207 101 D C 1.474 177.805 176.300 0.052 0.000 0.983 101 D CA 1.583 55.634 54.000 0.084 0.000 0.878 101 D CB -0.604 40.264 40.800 0.112 0.000 0.920 101 D HN 0.603 8.973 8.370 0.000 0.000 0.479 102 G N -0.649 108.178 108.800 0.044 0.000 2.176 102 G HA2 -0.299 3.651 3.960 -0.017 0.000 0.253 102 G HA3 -0.299 3.651 3.960 -0.017 0.000 0.253 102 G C 1.158 176.084 174.900 0.043 0.000 0.979 102 G CA 0.445 45.561 45.100 0.028 0.000 0.641 102 G HN 0.375 8.665 8.290 0.000 0.000 0.530 103 N N 0.516 119.255 118.700 0.065 0.000 2.407 103 N HA 0.279 5.009 4.740 -0.017 0.000 0.182 103 N C 1.859 177.453 175.510 0.140 0.000 1.079 103 N CA 1.709 54.808 53.050 0.082 0.000 0.882 103 N CB 0.373 38.894 38.487 0.056 0.000 1.106 103 N HN 1.337 9.717 8.380 0.000 0.000 0.461 104 G N 2.238 111.142 108.800 0.172 0.000 2.596 104 G HA2 -0.371 3.579 3.960 -0.017 0.000 0.295 104 G HA3 -0.371 3.579 3.960 -0.017 0.000 0.295 104 G C 0.871 175.952 174.900 0.301 0.000 1.240 104 G CA 0.581 45.861 45.100 0.301 0.000 0.985 104 G HN 0.242 8.532 8.290 0.000 0.000 0.555 105 M N 1.422 121.131 119.600 0.181 0.000 2.623 105 M HA -0.062 4.408 4.480 -0.017 0.000 0.258 105 M C 2.123 178.583 176.300 0.268 0.000 1.067 105 M CA 1.139 56.487 55.300 0.079 0.000 1.068 105 M CB -0.453 31.628 32.600 -0.867 0.000 1.409 105 M HN 0.473 8.763 8.290 0.000 0.000 0.504 106 N N 0.820 119.647 118.700 0.212 0.000 2.334 106 N HA -0.144 4.586 4.740 -0.017 0.000 0.187 106 N C 1.599 177.176 175.510 0.112 0.000 1.016 106 N CA 1.545 54.696 53.050 0.169 0.000 0.879 106 N CB -0.090 38.461 38.487 0.107 0.000 0.965 106 N HN 0.456 8.836 8.380 0.000 0.000 0.438 107 A N 0.222 123.078 122.820 0.061 0.000 1.898 107 A HA -0.042 4.268 4.320 -0.017 0.000 0.214 107 A C 0.846 178.357 177.584 -0.121 0.000 1.183 107 A CA 0.260 52.220 52.037 -0.129 0.000 0.622 107 A CB -0.275 18.472 19.000 -0.421 0.000 0.824 107 A HN 0.237 8.387 8.150 0.000 0.000 0.444 108 W N -0.348 120.974 121.300 0.038 0.000 2.266 108 W HA 0.328 4.977 4.660 -0.018 0.000 0.317 108 W C 1.125 177.710 176.519 0.109 0.000 1.310 108 W CA -0.126 57.252 57.345 0.056 0.000 1.207 108 W CB 1.361 30.830 29.460 0.014 0.000 1.199 108 W HN 0.092 8.272 8.180 0.000 0.000 0.544 109 V N 4.275 124.354 119.914 0.275 0.000 2.575 109 V HA -0.125 3.985 4.120 -0.017 0.000 0.242 109 V C 1.960 178.145 176.094 0.152 0.000 1.045 109 V CA 2.098 64.506 62.300 0.180 0.000 1.065 109 V CB -0.183 31.703 31.823 0.106 0.000 0.717 109 V HN 0.662 8.851 8.190 0.000 0.000 0.467 110 A N -0.391 122.528 122.820 0.165 0.000 1.865 110 A HA -0.300 4.010 4.320 -0.017 0.000 0.217 110 A C 1.967 179.544 177.584 -0.012 0.000 1.191 110 A CA 2.316 54.390 52.037 0.061 0.000 0.623 110 A CB -1.303 17.766 19.000 0.115 0.000 0.826 110 A HN 0.854 9.004 8.150 0.000 0.000 0.444 111 W N 0.785 122.025 121.300 -0.100 0.000 2.317 111 W HA -0.271 4.379 4.660 -0.017 0.000 0.318 111 W C 2.349 178.770 176.519 -0.163 0.000 1.227 111 W CA 2.408 59.643 57.345 -0.183 0.000 1.269 111 W CB -0.401 28.928 29.460 -0.218 0.000 1.155 111 W HN 0.335 8.515 8.180 0.000 0.000 0.484 112 R N 0.194 120.579 120.500 -0.191 0.000 2.226 112 R HA -0.222 4.108 4.340 -0.017 0.000 0.246 112 R C 1.435 177.429 176.300 -0.510 0.000 1.161 112 R CA 2.068 57.849 56.100 -0.531 0.000 0.997 112 R CB -0.399 29.903 30.300 0.002 0.000 0.870 112 R HN 0.268 8.538 8.270 0.000 0.000 0.465 113 N N -0.852 117.626 118.700 -0.370 0.000 2.557 113 N HA 0.053 4.783 4.740 -0.017 0.000 0.217 113 N C 1.339 176.631 175.510 -0.362 0.000 1.062 113 N CA 0.471 53.334 53.050 -0.310 0.000 0.863 113 N CB 0.048 38.421 38.487 -0.190 0.000 1.390 113 N HN 0.136 8.516 8.380 0.000 0.000 0.445 114 R N -0.175 120.066 120.500 -0.431 0.000 2.161 114 R HA 0.220 4.550 4.340 -0.017 0.000 0.213 114 R C 0.937 176.918 176.300 -0.532 0.000 1.055 114 R CA 0.705 56.460 56.100 -0.575 0.000 0.996 114 R CB 0.139 29.833 30.300 -1.010 0.000 0.901 114 R HN 0.157 8.427 8.270 0.000 0.000 0.456 115 c N 0.089 118.369 118.600 -0.532 0.000 3.183 115 c HA 0.224 4.784 4.570 -0.017 0.000 0.285 115 c C 0.644 174.363 174.090 -0.618 0.000 1.313 115 c CA -0.709 55.383 56.329 -0.395 0.000 1.711 115 c CB -0.321 42.134 42.510 -0.092 0.000 2.135 115 c HN 0.214 8.444 8.230 0.000 0.000 0.651 116 K N 0.916 120.806 120.400 -0.850 0.000 2.201 116 K HA 0.454 4.764 4.320 -0.017 0.000 0.278 116 K C 1.003 177.377 176.600 -0.376 0.000 1.027 116 K CA 0.708 56.517 56.287 -0.797 0.000 0.909 116 K CB 0.445 32.371 32.500 -0.957 0.000 1.062 116 K HN 0.326 8.576 8.250 0.000 0.000 0.465 117 G N 2.414 111.076 108.800 -0.230 0.000 2.160 117 G HA2 -0.283 3.667 3.960 -0.017 0.000 0.251 117 G HA3 -0.283 3.667 3.960 -0.017 0.000 0.251 117 G C 0.122 174.973 174.900 -0.081 0.000 1.008 117 G CA 0.754 45.778 45.100 -0.127 0.000 0.724 117 G HN 0.815 9.105 8.290 0.000 0.000 0.514 118 T N -3.185 111.332 114.554 -0.061 0.000 2.910 118 T HA 0.587 4.927 4.350 -0.017 0.000 0.279 118 T C -0.013 174.731 174.700 0.072 0.000 0.989 118 T CA 0.153 62.267 62.100 0.023 0.000 0.968 118 T CB 2.123 71.043 68.868 0.086 0.000 1.135 118 T HN 0.042 8.282 8.240 0.000 0.000 0.562 119 D N 1.003 121.474 120.400 0.119 0.000 2.973 119 D HA 0.186 4.816 4.640 -0.017 0.000 0.263 119 D C 1.726 178.150 176.300 0.207 0.000 1.266 119 D CA -0.629 53.435 54.000 0.106 0.000 0.975 119 D CB -0.403 40.422 40.800 0.041 0.000 1.032 119 D HN 0.466 8.836 8.370 0.000 0.000 0.510 120 V N 0.693 120.759 119.914 0.253 0.000 2.324 120 V HA -0.305 3.805 4.120 -0.017 0.000 0.250 120 V C 2.210 178.515 176.094 0.352 0.000 1.060 120 V CA 1.728 64.252 62.300 0.374 0.000 1.042 120 V CB -1.040 30.899 31.823 0.193 0.000 0.650 120 V HN 0.465 8.655 8.190 0.000 0.000 0.450 121 Q N 1.975 121.892 119.800 0.194 0.000 2.439 121 Q HA 0.004 4.334 4.340 -0.017 0.000 0.211 121 Q C 2.047 178.120 176.000 0.121 0.000 0.978 121 Q CA 1.870 57.763 55.803 0.151 0.000 0.897 121 Q CB -0.873 27.923 28.738 0.096 0.000 0.956 121 Q HN 0.727 8.997 8.270 0.000 0.000 0.483 122 A N -0.269 122.596 122.820 0.075 0.000 2.209 122 A HA -0.012 4.298 4.320 -0.017 0.000 0.212 122 A C 1.194 178.668 177.584 -0.184 0.000 1.158 122 A CA 0.381 52.364 52.037 -0.091 0.000 0.742 122 A CB -0.674 18.208 19.000 -0.197 0.000 0.790 122 A HN 0.489 8.639 8.150 0.000 0.000 0.472 123 W N -0.388 120.952 121.300 0.067 0.000 2.640 123 W HA 0.167 4.816 4.660 -0.019 0.000 0.271 123 W C 1.904 178.469 176.519 0.076 0.000 1.218 123 W CA 0.454 57.846 57.345 0.080 0.000 1.382 123 W CB -0.095 29.420 29.460 0.092 0.000 1.067 123 W HN 0.339 8.519 8.180 0.000 0.000 0.590 124 I N -0.850 119.897 120.570 0.294 0.000 3.428 124 I HA 0.182 4.342 4.170 -0.017 0.000 0.286 124 I C 1.299 177.490 176.117 0.124 0.000 1.287 124 I CA 0.151 61.568 61.300 0.195 0.000 1.396 124 I CB -0.468 37.638 38.000 0.176 0.000 1.062 124 I HN -0.227 7.983 8.210 0.000 0.000 0.471 125 R N 1.766 122.325 120.500 0.099 0.000 2.582 125 R HA 0.356 4.686 4.340 -0.017 0.000 0.271 125 R C 1.207 177.531 176.300 0.039 0.000 1.078 125 R CA 0.978 57.109 56.100 0.053 0.000 1.127 125 R CB 0.642 30.955 30.300 0.022 0.000 1.038 125 R HN 0.446 8.716 8.270 0.000 0.000 0.500 126 G N 1.582 110.398 108.800 0.027 0.000 2.179 126 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.260 126 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.260 126 G C -0.249 174.665 174.900 0.024 0.000 0.977 126 G CA 0.263 45.374 45.100 0.018 0.000 0.641 126 G HN 0.641 8.931 8.290 0.000 0.000 0.533 127 c N 0.451 119.074 118.600 0.037 0.000 2.411 127 c HA 0.758 5.318 4.570 -0.017 0.000 0.330 127 c C 0.805 174.917 174.090 0.036 0.000 1.224 127 c CA -1.029 55.323 56.329 0.038 0.000 1.770 127 c CB 1.409 43.951 42.510 0.053 0.000 2.297 127 c HN 0.601 8.831 8.230 0.000 0.000 0.507 128 R N 2.483 123.001 120.500 0.029 0.000 2.265 128 R HA 0.734 5.064 4.340 -0.017 0.000 0.314 128 R C -1.119 175.198 176.300 0.029 0.000 1.053 128 R CA 0.045 56.161 56.100 0.026 0.000 0.931 128 R CB 0.248 30.560 30.300 0.019 0.000 1.024 128 R HN 0.777 9.047 8.270 0.000 0.000 0.457 129 L N 0.000 121.241 121.223 0.030 0.000 2.949 129 L HA 0.000 4.330 4.340 -0.017 0.000 0.249 129 L CA 0.000 54.858 54.840 0.031 0.000 0.813 129 L CB 0.000 42.084 42.059 0.041 0.000 0.961 129 L HN 0.000 8.230 8.230 0.000 0.000 0.502