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 3e7n_1_C DATA FIRST_RESID -1 DATA SEQUENCE NAXKKGTVLN SEISSVISRL GHTDTLVVCD AGLPIPNSTA RIDXALTQGV DATA SEQUENCE PSFXQVVDVV TREXQVEAAI LATEIKQQNP QLHETLLTHL EQLQQHQGNT DATA SEQUENCE IKISYTTHEQ FKKLTADSQA VIRSGECSPY ANVILCAGVT F 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 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 -1 N C 0.000 175.510 175.510 0.000 0.000 1.280 -1 N CA 0.000 53.050 53.050 0.000 0.000 0.885 -1 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 3 K N 1.695 122.097 120.400 0.003 0.000 2.295 3 K HA 0.534 4.854 4.320 -0.000 0.000 0.270 3 K C 0.460 177.063 176.600 0.005 0.000 1.011 3 K CA 1.113 57.402 56.287 0.004 0.000 0.953 3 K CB 1.023 33.526 32.500 0.005 0.000 0.956 3 K HN 0.887 9.137 8.250 -0.000 0.000 0.477 4 G N 0.061 108.865 108.800 0.006 0.000 2.500 4 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.209 4 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.209 4 G C 0.342 175.244 174.900 0.004 0.000 1.283 4 G CA -0.119 44.985 45.100 0.007 0.000 0.960 4 G HN 0.647 8.937 8.290 -0.000 0.000 0.528 5 T N -3.346 111.210 114.554 0.003 0.000 3.004 5 T HA 0.442 4.792 4.350 -0.000 0.000 0.266 5 T C 0.694 175.393 174.700 -0.002 0.000 0.986 5 T CA 1.029 63.129 62.100 -0.001 0.000 0.902 5 T CB 0.524 69.390 68.868 -0.003 0.000 1.118 5 T HN 1.264 9.504 8.240 -0.000 0.000 0.522 6 V N 3.528 123.442 119.914 0.000 0.000 2.299 6 V HA 0.359 4.479 4.120 -0.000 0.000 0.255 6 V C 1.156 177.250 176.094 -0.001 0.000 1.100 6 V CA -0.182 62.117 62.300 -0.001 0.000 0.938 6 V CB -0.002 31.823 31.823 0.002 0.000 1.139 6 V HN 0.478 8.668 8.190 -0.000 0.000 0.490 7 L N 2.151 123.372 121.223 -0.003 0.000 2.416 7 L HA 0.158 4.498 4.340 -0.000 0.000 0.216 7 L C 1.482 178.352 176.870 -0.001 0.000 1.098 7 L CA 0.305 55.144 54.840 -0.002 0.000 0.840 7 L CB -0.055 42.003 42.059 -0.002 0.000 0.981 7 L HN 0.616 8.846 8.230 -0.000 0.000 0.462 8 N N 0.723 119.421 118.700 -0.002 0.000 2.483 8 N HA -0.070 4.670 4.740 -0.000 0.000 0.264 8 N C 1.194 176.704 175.510 0.000 0.000 1.197 8 N CA 0.410 53.459 53.050 -0.001 0.000 0.927 8 N CB 1.362 39.848 38.487 -0.002 0.000 1.065 8 N HN 0.093 8.473 8.380 -0.000 0.000 0.461 9 S N 3.350 119.050 115.700 0.001 0.000 2.368 9 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 9 S C 1.250 175.851 174.600 0.002 0.000 1.029 9 S CA 0.659 58.860 58.200 0.001 0.000 0.988 9 S CB -0.019 63.182 63.200 0.001 0.000 0.838 9 S HN 0.605 8.915 8.310 -0.000 0.000 0.462 10 E N 1.514 121.715 120.200 0.002 0.000 2.072 10 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 10 E C 2.145 178.747 176.600 0.003 0.000 0.982 10 E CA 0.801 57.202 56.400 0.003 0.000 0.803 10 E CB -0.448 29.254 29.700 0.004 0.000 0.755 10 E HN 0.604 8.964 8.360 -0.000 0.000 0.453 11 I N 1.029 121.600 120.570 0.002 0.000 2.179 11 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 11 I C 2.374 178.492 176.117 0.002 0.000 1.088 11 I CA 0.908 62.209 61.300 0.001 0.000 1.357 11 I CB -0.235 37.764 38.000 -0.002 0.000 1.051 11 I HN -0.036 8.174 8.210 -0.000 0.000 0.409 12 S N 0.017 115.719 115.700 0.002 0.000 2.370 12 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 12 S C 2.184 176.786 174.600 0.003 0.000 1.033 12 S CA 1.865 60.067 58.200 0.003 0.000 1.011 12 S CB -0.330 62.872 63.200 0.002 0.000 0.852 12 S HN 0.495 8.805 8.310 -0.000 0.000 0.457 13 S N 1.183 116.884 115.700 0.003 0.000 2.348 13 S HA -0.122 4.348 4.470 -0.000 0.000 0.221 13 S C 2.170 176.772 174.600 0.003 0.000 1.033 13 S CA 1.638 59.839 58.200 0.002 0.000 1.010 13 S CB -0.606 62.595 63.200 0.002 0.000 0.891 13 S HN 0.455 8.765 8.310 -0.000 0.000 0.442 14 V N 0.399 120.315 119.914 0.003 0.000 2.343 14 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 14 V C 2.237 178.334 176.094 0.005 0.000 1.051 14 V CA 1.989 64.291 62.300 0.004 0.000 1.036 14 V CB -1.052 30.774 31.823 0.004 0.000 0.654 14 V HN 0.580 8.770 8.190 -0.000 0.000 0.451 15 I N 2.207 122.781 120.570 0.006 0.000 2.361 15 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 15 I C 2.808 178.930 176.117 0.009 0.000 1.133 15 I CA 1.964 63.270 61.300 0.009 0.000 1.413 15 I CB -0.381 37.625 38.000 0.010 0.000 1.073 15 I HN 0.605 8.815 8.210 -0.000 0.000 0.424 16 S N 1.397 117.100 115.700 0.006 0.000 2.515 16 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 16 S C 1.686 176.289 174.600 0.004 0.000 0.987 16 S CA 0.256 58.459 58.200 0.005 0.000 0.936 16 S CB -0.290 62.911 63.200 0.003 0.000 0.766 16 S HN 0.596 8.906 8.310 -0.000 0.000 0.528 17 R N 0.338 120.841 120.500 0.004 0.000 2.509 17 R HA 0.467 4.807 4.340 -0.000 0.000 0.300 17 R C -0.224 176.080 176.300 0.006 0.000 0.985 17 R CA -0.437 55.665 56.100 0.004 0.000 1.092 17 R CB -0.344 29.957 30.300 0.002 0.000 1.237 17 R HN 0.290 8.560 8.270 -0.000 0.000 0.546 18 L N 1.559 122.789 121.223 0.010 0.000 2.416 18 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 18 L C 0.710 177.594 176.870 0.024 0.000 1.161 18 L CA -0.072 54.778 54.840 0.016 0.000 0.845 18 L CB 0.984 43.055 42.059 0.021 0.000 1.119 18 L HN 0.270 8.500 8.230 -0.000 0.000 0.464 19 G N 0.193 109.012 108.800 0.032 0.000 2.735 19 G HA2 0.225 4.185 3.960 -0.000 0.000 0.301 19 G HA3 0.225 4.185 3.960 -0.000 0.000 0.301 19 G C -1.072 173.889 174.900 0.102 0.000 1.279 19 G CA -0.572 44.561 45.100 0.055 0.000 1.019 19 G HN 0.689 8.979 8.290 -0.000 0.000 0.497 20 H N -0.326 118.753 119.070 0.016 0.000 3.125 20 H HA 0.077 4.633 4.556 -0.000 0.000 0.310 20 H C 1.526 176.873 175.328 0.031 0.000 0.980 20 H CA 1.806 57.877 56.048 0.039 0.000 1.422 20 H CB 0.438 30.243 29.762 0.071 0.000 1.432 20 H HN 1.005 9.285 8.280 -0.000 0.000 0.577 21 T N 0.797 115.228 114.554 -0.204 0.000 6.424 21 T HA -0.226 4.124 4.350 -0.000 0.000 0.279 21 T C 0.045 174.686 174.700 -0.098 0.000 2.176 21 T CA 0.958 62.912 62.100 -0.243 0.000 3.628 21 T CB -1.628 67.026 68.868 -0.356 0.000 1.165 21 T HN 0.664 8.904 8.240 -0.000 0.000 1.080 22 D N 2.861 123.235 120.400 -0.043 0.000 2.400 22 D HA 0.483 5.123 4.640 -0.000 0.000 0.238 22 D C 1.006 177.292 176.300 -0.024 0.000 1.157 22 D CA 1.346 55.330 54.000 -0.026 0.000 0.889 22 D CB 1.372 42.169 40.800 -0.005 0.000 1.199 22 D HN 0.859 9.229 8.370 -0.000 0.000 0.436 23 T N -1.210 113.325 114.554 -0.031 0.000 2.932 23 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 23 T C -0.723 173.964 174.700 -0.022 0.000 1.039 23 T CA -0.954 61.127 62.100 -0.032 0.000 1.024 23 T CB 1.505 70.338 68.868 -0.058 0.000 1.090 23 T HN 0.123 8.363 8.240 -0.000 0.000 0.496 24 L N 1.931 123.146 121.223 -0.014 0.000 2.438 24 L HA 0.677 5.017 4.340 -0.000 0.000 0.270 24 L C -1.101 175.774 176.870 0.008 0.000 0.972 24 L CA -0.728 54.111 54.840 -0.002 0.000 0.831 24 L CB 2.229 44.292 42.059 0.007 0.000 1.273 24 L HN 0.755 8.985 8.230 -0.000 0.000 0.405 25 V N 4.936 124.860 119.914 0.017 0.000 2.483 25 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 25 V C -0.382 175.769 176.094 0.093 0.000 1.035 25 V CA -0.789 61.546 62.300 0.059 0.000 0.896 25 V CB 1.815 33.667 31.823 0.048 0.000 0.986 25 V HN 0.456 8.646 8.190 -0.000 0.000 0.447 26 V N 4.304 124.306 119.914 0.148 0.000 2.417 26 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 26 V C 0.129 176.422 176.094 0.331 0.000 1.024 26 V CA -0.402 61.987 62.300 0.148 0.000 0.861 26 V CB 1.323 33.136 31.823 -0.017 0.000 0.985 26 V HN 1.175 9.365 8.190 -0.000 0.000 0.436 27 C N 2.451 121.919 119.300 0.280 0.000 2.973 27 C HA 0.946 5.406 4.460 -0.000 0.000 0.329 27 C C -0.121 175.014 174.990 0.242 0.000 1.327 27 C CA -0.803 58.390 59.018 0.292 0.000 1.632 27 C CB 1.566 29.440 27.740 0.224 0.000 2.098 27 C HN 0.874 9.104 8.230 -0.000 0.000 0.469 28 D N 0.636 121.124 120.400 0.147 0.000 2.451 28 D HA 0.491 5.131 4.640 -0.000 0.000 0.259 28 D C 1.073 177.404 176.300 0.051 0.000 1.201 28 D CA -0.088 53.958 54.000 0.076 0.000 1.028 28 D CB 0.767 41.550 40.800 -0.029 0.000 1.095 28 D HN 0.886 9.256 8.370 -0.000 0.000 0.539 29 A N -0.807 122.027 122.820 0.023 0.000 2.121 29 A HA 0.177 4.497 4.320 -0.000 0.000 0.218 29 A C 1.820 179.408 177.584 0.006 0.000 1.154 29 A CA 1.326 53.373 52.037 0.017 0.000 0.679 29 A CB -1.002 18.002 19.000 0.006 0.000 0.795 29 A HN 0.662 8.812 8.150 -0.000 0.000 0.458 30 G N -1.498 107.296 108.800 -0.010 0.000 3.159 30 G HA2 0.387 4.347 3.960 -0.000 0.000 0.232 30 G HA3 0.387 4.347 3.960 -0.000 0.000 0.232 30 G C 0.255 175.162 174.900 0.012 0.000 1.116 30 G CA -0.198 44.893 45.100 -0.015 0.000 0.767 30 G HN 0.354 8.644 8.290 -0.000 0.000 0.547 31 L N 2.991 124.239 121.223 0.042 0.000 2.410 31 L HA 0.378 4.718 4.340 -0.000 0.000 0.273 31 L C -1.693 175.225 176.870 0.079 0.000 1.152 31 L CA -1.616 53.278 54.840 0.090 0.000 0.855 31 L CB 0.536 42.683 42.059 0.147 0.000 1.129 31 L HN -0.082 8.148 8.230 -0.000 0.000 0.463 32 P HA 0.215 4.635 4.420 -0.000 0.000 0.275 32 P C -0.999 176.336 177.300 0.059 0.000 1.228 32 P CA -0.004 63.130 63.100 0.057 0.000 0.786 32 P CB 0.853 32.583 31.700 0.050 0.000 0.927 33 I N 4.087 124.683 120.570 0.044 0.000 2.382 33 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 33 I C -1.991 174.141 176.117 0.024 0.000 1.002 33 I CA -2.423 58.900 61.300 0.038 0.000 1.135 33 I CB 1.580 39.602 38.000 0.037 0.000 1.288 33 I HN 0.188 8.398 8.210 -0.000 0.000 0.448 34 P HA 0.106 4.526 4.420 -0.000 0.000 0.269 34 P C 0.076 177.379 177.300 0.006 0.000 1.215 34 P CA -0.288 62.817 63.100 0.008 0.000 0.780 34 P CB 0.405 32.105 31.700 -0.000 0.000 0.898 35 N N -0.263 118.440 118.700 0.005 0.000 2.521 35 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 35 N C 0.891 176.401 175.510 0.001 0.000 1.146 35 N CA 0.494 53.546 53.050 0.004 0.000 0.893 35 N CB -0.734 37.755 38.487 0.004 0.000 0.975 35 N HN 0.399 8.779 8.380 -0.000 0.000 0.451 36 S N -1.703 113.996 115.700 -0.002 0.000 2.603 36 S HA 0.053 4.523 4.470 -0.000 0.000 0.220 36 S C 0.576 175.171 174.600 -0.007 0.000 0.967 36 S CA -0.225 57.972 58.200 -0.006 0.000 0.920 36 S CB -0.255 62.940 63.200 -0.009 0.000 0.773 36 S HN 0.256 8.566 8.310 -0.000 0.000 0.529 37 T N 0.959 115.511 114.554 -0.004 0.000 2.903 37 T HA 0.675 5.025 4.350 -0.000 0.000 0.299 37 T C -0.643 174.058 174.700 0.001 0.000 1.093 37 T CA -0.352 61.745 62.100 -0.005 0.000 1.002 37 T CB 1.545 70.408 68.868 -0.008 0.000 1.127 37 T HN 0.422 8.662 8.240 -0.000 0.000 0.488 38 A N 3.230 126.051 122.820 0.002 0.000 2.425 38 A HA 0.614 4.934 4.320 -0.000 0.000 0.249 38 A C 0.255 177.844 177.584 0.009 0.000 1.084 38 A CA -0.344 51.696 52.037 0.005 0.000 0.781 38 A CB 0.221 19.224 19.000 0.004 0.000 1.019 38 A HN 0.791 8.941 8.150 -0.000 0.000 0.490 39 R N 2.653 123.160 120.500 0.011 0.000 2.265 39 R HA 0.529 4.869 4.340 -0.000 0.000 0.328 39 R C -1.468 174.841 176.300 0.015 0.000 0.969 39 R CA -0.316 55.794 56.100 0.016 0.000 0.832 39 R CB 0.419 30.728 30.300 0.016 0.000 1.139 39 R HN 0.715 8.985 8.270 -0.000 0.000 0.457 40 I N 4.316 124.896 120.570 0.018 0.000 2.371 40 I HA 0.164 4.334 4.170 -0.000 0.000 0.282 40 I C -0.093 176.036 176.117 0.019 0.000 1.031 40 I CA -0.596 60.713 61.300 0.015 0.000 1.180 40 I CB 1.230 39.238 38.000 0.013 0.000 1.336 40 I HN 0.557 8.767 8.210 -0.000 0.000 0.467 44 L N 2.175 123.406 121.223 0.012 0.000 2.262 44 L HA 0.587 4.927 4.340 -0.000 0.000 0.197 44 L C 0.829 177.704 176.870 0.008 0.000 1.073 44 L CA 2.564 57.409 54.840 0.009 0.000 0.800 44 L CB 0.289 42.352 42.059 0.007 0.000 0.987 44 L HN 1.062 9.292 8.230 -0.000 0.000 0.470 45 T N -2.415 112.144 114.554 0.009 0.000 2.661 45 T HA 0.295 4.645 4.350 -0.000 0.000 0.305 45 T C -1.628 173.077 174.700 0.008 0.000 1.441 45 T CA -0.643 61.461 62.100 0.007 0.000 0.999 45 T CB 0.892 69.763 68.868 0.004 0.000 1.650 45 T HN 0.035 8.275 8.240 -0.000 0.000 0.489 46 Q N 0.903 120.706 119.800 0.005 0.000 2.262 46 Q HA 0.400 4.740 4.340 -0.000 0.000 0.298 46 Q C 1.333 177.337 176.000 0.008 0.000 1.083 46 Q CA 1.926 57.732 55.803 0.004 0.000 0.962 46 Q CB -0.198 28.540 28.738 -0.001 0.000 1.104 46 Q HN 1.190 9.460 8.270 -0.000 0.000 0.376 47 G N 1.298 110.106 108.800 0.013 0.000 2.184 47 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.264 47 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.264 47 G C -0.182 174.730 174.900 0.020 0.000 0.975 47 G CA 0.093 45.204 45.100 0.019 0.000 0.642 47 G HN 0.521 8.811 8.290 -0.000 0.000 0.536 48 V N 2.302 122.226 119.914 0.017 0.000 2.447 48 V HA 0.531 4.651 4.120 -0.000 0.000 0.292 48 V C -1.878 174.225 176.094 0.015 0.000 1.021 48 V CA -1.466 60.842 62.300 0.014 0.000 0.850 48 V CB 2.339 34.167 31.823 0.009 0.000 1.005 48 V HN 0.182 8.372 8.190 -0.000 0.000 0.426 49 P HA 0.263 4.683 4.420 -0.000 0.000 0.276 49 P C -0.030 177.287 177.300 0.029 0.000 1.244 49 P CA -0.121 62.987 63.100 0.013 0.000 0.801 49 P CB 1.269 32.970 31.700 0.001 0.000 1.006 50 S N 1.763 117.482 115.700 0.031 0.000 2.600 50 S HA 0.233 4.703 4.470 -0.000 0.000 0.265 50 S C 0.347 175.004 174.600 0.096 0.000 1.325 50 S CA -0.578 57.662 58.200 0.068 0.000 1.002 50 S CB -0.128 63.108 63.200 0.059 0.000 0.921 50 S HN 0.406 8.716 8.310 -0.000 0.000 0.554 54 V N 0.849 120.672 119.914 -0.152 0.000 2.379 54 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 54 V C 2.073 178.046 176.094 -0.202 0.000 1.044 54 V CA 1.892 64.103 62.300 -0.148 0.000 1.036 54 V CB -0.304 31.449 31.823 -0.117 0.000 0.664 54 V HN 0.145 8.335 8.190 -0.000 0.000 0.453 55 V N 0.678 120.381 119.914 -0.353 0.000 2.287 55 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 55 V C 2.440 178.433 176.094 -0.169 0.000 1.053 55 V CA 2.445 64.555 62.300 -0.316 0.000 1.027 55 V CB -0.684 30.841 31.823 -0.496 0.000 0.646 55 V HN 0.637 8.827 8.190 -0.000 0.000 0.447 56 D N 0.225 120.467 120.400 -0.263 0.000 2.092 56 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 56 D C 2.067 178.337 176.300 -0.050 0.000 0.994 56 D CA 1.770 55.649 54.000 -0.203 0.000 0.828 56 D CB -0.250 40.381 40.800 -0.282 0.000 0.963 56 D HN 0.226 8.596 8.370 -0.000 0.000 0.450 57 V N 0.133 120.004 119.914 -0.070 0.000 2.295 57 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 57 V C 2.805 178.890 176.094 -0.016 0.000 1.049 57 V CA 1.347 63.626 62.300 -0.035 0.000 1.024 57 V CB -0.475 31.324 31.823 -0.040 0.000 0.648 57 V HN 0.122 8.312 8.190 -0.000 0.000 0.447 58 V N 1.040 120.938 119.914 -0.026 0.000 2.332 58 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 58 V C 2.683 178.787 176.094 0.016 0.000 1.055 58 V CA 2.614 64.909 62.300 -0.009 0.000 1.038 58 V CB -1.038 30.772 31.823 -0.021 0.000 0.651 58 V HN 0.845 9.035 8.190 -0.000 0.000 0.450 59 T N -2.245 112.332 114.554 0.039 0.000 3.118 59 T HA -0.080 4.270 4.350 -0.000 0.000 0.260 59 T C 1.772 176.507 174.700 0.058 0.000 1.139 59 T CA 0.550 62.688 62.100 0.064 0.000 1.085 59 T CB -0.326 68.612 68.868 0.117 0.000 0.934 59 T HN 0.434 8.674 8.240 -0.000 0.000 0.518 60 R N 0.727 121.254 120.500 0.046 0.000 2.148 60 R HA 0.191 4.531 4.340 -0.000 0.000 0.227 60 R C 1.314 177.640 176.300 0.043 0.000 1.103 60 R CA 0.751 56.875 56.100 0.039 0.000 0.983 60 R CB 0.058 30.371 30.300 0.021 0.000 0.874 60 R HN 0.574 8.844 8.270 -0.000 0.000 0.451 64 V N 2.709 122.650 119.914 0.045 0.000 2.398 64 V HA 0.276 4.396 4.120 -0.000 0.000 0.286 64 V C 1.099 177.221 176.094 0.046 0.000 1.026 64 V CA -0.138 62.188 62.300 0.044 0.000 0.868 64 V CB 1.659 33.501 31.823 0.032 0.000 0.982 64 V HN 0.833 9.023 8.190 -0.000 0.000 0.443 65 E N 3.890 124.125 120.200 0.058 0.000 2.490 65 E HA 0.607 4.957 4.350 -0.000 0.000 0.209 65 E C 0.358 176.980 176.600 0.037 0.000 0.971 65 E CA 0.351 56.785 56.400 0.058 0.000 0.988 65 E CB 1.115 30.877 29.700 0.103 0.000 1.029 65 E HN 0.684 9.044 8.360 -0.000 0.000 0.496 66 A N 0.502 123.339 122.820 0.028 0.000 2.608 66 A HA 0.776 5.096 4.320 -0.000 0.000 0.292 66 A C -1.647 175.943 177.584 0.011 0.000 1.066 66 A CA -0.386 51.658 52.037 0.012 0.000 0.676 66 A CB 1.715 20.716 19.000 0.002 0.000 1.277 66 A HN 0.326 8.476 8.150 -0.000 0.000 0.413 67 A N 0.848 123.669 122.820 0.002 0.000 2.422 67 A HA 0.788 5.108 4.320 -0.000 0.000 0.302 67 A C -1.028 176.544 177.584 -0.019 0.000 1.041 67 A CA -0.329 51.718 52.037 0.016 0.000 0.708 67 A CB 0.777 19.804 19.000 0.044 0.000 1.257 67 A HN 0.866 9.016 8.150 -0.000 0.000 0.414 68 I N 2.314 122.895 120.570 0.020 0.000 2.474 68 I HA 0.553 4.723 4.170 -0.000 0.000 0.294 68 I C -0.744 175.492 176.117 0.197 0.000 1.005 68 I CA -0.521 60.792 61.300 0.021 0.000 1.113 68 I CB 1.770 39.771 38.000 0.002 0.000 1.289 68 I HN 0.515 8.725 8.210 -0.000 0.000 0.436 69 L N 4.020 125.311 121.223 0.114 0.000 2.350 69 L HA 0.713 5.053 4.340 -0.000 0.000 0.260 69 L C -0.093 176.907 176.870 0.216 0.000 1.015 69 L CA -0.937 54.017 54.840 0.189 0.000 0.821 69 L CB 2.151 44.231 42.059 0.035 0.000 1.370 69 L HN 0.655 8.885 8.230 -0.000 0.000 0.416 70 A N 0.234 123.069 122.820 0.025 0.000 2.401 70 A HA 0.368 4.687 4.320 -0.000 0.000 0.259 70 A C 1.002 178.596 177.584 0.016 0.000 1.103 70 A CA -0.157 51.877 52.037 -0.005 0.000 0.789 70 A CB 0.499 19.395 19.000 -0.173 0.000 1.035 70 A HN 0.850 9.000 8.150 -0.000 0.000 0.491 71 T N 1.826 116.391 114.554 0.019 0.000 2.803 71 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 71 T C 1.431 175.968 174.700 -0.273 0.000 1.052 71 T CA 2.239 64.282 62.100 -0.094 0.000 1.136 71 T CB -0.205 68.609 68.868 -0.091 0.000 0.864 71 T HN 0.811 9.051 8.240 -0.000 0.000 0.467 72 E N 0.588 120.540 120.200 -0.412 0.000 2.267 72 E HA -0.001 4.349 4.350 -0.000 0.000 0.197 72 E C 1.883 178.175 176.600 -0.514 0.000 0.998 72 E CA 0.324 56.339 56.400 -0.642 0.000 0.830 72 E CB -0.384 28.502 29.700 -1.357 0.000 0.751 72 E HN 0.492 8.852 8.360 -0.000 0.000 0.491 73 I N 0.631 120.971 120.570 -0.382 0.000 2.394 73 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 73 I C 1.598 177.546 176.117 -0.283 0.000 1.136 73 I CA 1.155 62.316 61.300 -0.232 0.000 1.425 73 I CB 0.092 37.992 38.000 -0.166 0.000 1.079 73 I HN 0.068 8.278 8.210 -0.000 0.000 0.425 74 K N 0.052 120.206 120.400 -0.411 0.000 2.009 74 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 74 K C 2.067 178.568 176.600 -0.165 0.000 1.049 74 K CA 1.332 57.391 56.287 -0.381 0.000 0.929 74 K CB -0.150 32.113 32.500 -0.394 0.000 0.714 74 K HN 0.360 8.610 8.250 -0.000 0.000 0.440 75 Q N 0.362 120.065 119.800 -0.163 0.000 2.163 75 Q HA -0.045 4.295 4.340 -0.000 0.000 0.198 75 Q C 1.758 177.719 176.000 -0.064 0.000 0.954 75 Q CA 1.240 56.984 55.803 -0.098 0.000 0.851 75 Q CB 0.321 28.997 28.738 -0.102 0.000 0.928 75 Q HN 0.449 8.719 8.270 -0.000 0.000 0.459 76 Q N -0.269 119.490 119.800 -0.069 0.000 2.356 76 Q HA 0.083 4.423 4.340 -0.000 0.000 0.205 76 Q C 0.295 176.302 176.000 0.011 0.000 0.901 76 Q CA 0.064 55.864 55.803 -0.005 0.000 0.938 76 Q CB 0.646 29.421 28.738 0.062 0.000 1.081 76 Q HN 0.038 8.308 8.270 -0.000 0.000 0.517 77 N N 0.006 118.703 118.700 -0.005 0.000 2.639 77 N HA 0.102 4.842 4.740 -0.000 0.000 0.265 77 N C -2.317 173.216 175.510 0.039 0.000 1.689 77 N CA -1.301 51.752 53.050 0.005 0.000 0.813 77 N CB 0.906 39.385 38.487 -0.013 0.000 1.353 77 N HN -0.078 8.302 8.380 -0.000 0.000 0.510 78 P HA -0.139 4.281 4.420 -0.000 0.000 0.218 78 P C 1.242 178.604 177.300 0.103 0.000 1.149 78 P CA 1.024 64.185 63.100 0.101 0.000 0.817 78 P CB 0.658 32.393 31.700 0.059 0.000 0.785 79 Q N 0.186 120.023 119.800 0.061 0.000 2.084 79 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 79 Q C 2.193 178.232 176.000 0.064 0.000 0.978 79 Q CA 1.314 57.147 55.803 0.050 0.000 0.844 79 Q CB -1.362 27.395 28.738 0.032 0.000 0.898 79 Q HN 0.188 8.458 8.270 -0.000 0.000 0.426 80 L N -0.444 120.819 121.223 0.067 0.000 2.072 80 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 80 L C 2.450 179.403 176.870 0.138 0.000 1.079 80 L CA 1.786 56.672 54.840 0.077 0.000 0.752 80 L CB -0.550 41.514 42.059 0.007 0.000 0.906 80 L HN 0.484 8.714 8.230 -0.000 0.000 0.436 81 H N -0.281 118.810 119.070 0.035 0.000 2.321 81 H HA -0.238 4.318 4.556 -0.000 0.000 0.295 81 H C 1.944 177.328 175.328 0.094 0.000 1.102 81 H CA 2.280 58.370 56.048 0.072 0.000 1.266 81 H CB 0.242 30.037 29.762 0.056 0.000 1.363 81 H HN 0.524 8.804 8.280 -0.000 0.000 0.492 82 E N -0.538 119.641 120.200 -0.036 0.000 2.072 82 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 82 E C 2.276 178.870 176.600 -0.010 0.000 0.985 82 E CA 1.448 57.794 56.400 -0.091 0.000 0.801 82 E CB 0.046 29.728 29.700 -0.030 0.000 0.750 82 E HN 0.497 8.857 8.360 -0.000 0.000 0.452 83 T N 1.863 116.444 114.554 0.046 0.000 2.699 83 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 83 T C 1.851 176.623 174.700 0.120 0.000 1.036 83 T CA 1.034 63.179 62.100 0.076 0.000 1.147 83 T CB -0.238 68.683 68.868 0.088 0.000 0.862 83 T HN 0.042 8.282 8.240 -0.000 0.000 0.446 84 L N 0.666 121.982 121.223 0.155 0.000 2.056 84 L HA 0.114 4.454 4.340 -0.000 0.000 0.207 84 L C 2.154 179.121 176.870 0.161 0.000 1.078 84 L CA 1.459 56.433 54.840 0.223 0.000 0.749 84 L CB -0.676 41.574 42.059 0.318 0.000 0.901 84 L HN 0.237 8.467 8.230 -0.000 0.000 0.433 85 L N -1.184 120.074 121.223 0.058 0.000 2.017 85 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 85 L C 2.366 179.253 176.870 0.029 0.000 1.073 85 L CA 1.793 56.642 54.840 0.014 0.000 0.745 85 L CB -1.071 40.934 42.059 -0.091 0.000 0.894 85 L HN 0.267 8.497 8.230 -0.000 0.000 0.432 86 T N -2.023 112.553 114.554 0.036 0.000 2.684 86 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 86 T C 1.833 176.573 174.700 0.066 0.000 1.036 86 T CA 1.872 63.997 62.100 0.043 0.000 1.148 86 T CB -0.376 68.520 68.868 0.047 0.000 0.863 86 T HN 0.416 8.656 8.240 -0.000 0.000 0.436 87 H N 0.980 120.060 119.070 0.017 0.000 2.353 87 H HA 0.074 4.630 4.556 -0.000 0.000 0.300 87 H C 1.977 177.314 175.328 0.015 0.000 1.090 87 H CA 1.316 57.372 56.048 0.013 0.000 1.327 87 H CB -0.576 29.197 29.762 0.018 0.000 1.383 87 H HN 0.271 8.551 8.280 -0.000 0.000 0.508 88 L N -0.099 121.068 121.223 -0.093 0.000 2.141 88 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 88 L C 2.554 179.365 176.870 -0.098 0.000 1.094 88 L CA 1.388 56.154 54.840 -0.123 0.000 0.763 88 L CB -0.342 41.717 42.059 -0.001 0.000 0.908 88 L HN 0.404 8.634 8.230 -0.000 0.000 0.437 89 E N -0.157 120.010 120.200 -0.055 0.000 2.072 89 E HA -0.247 4.103 4.350 -0.000 0.000 0.191 89 E C 2.227 178.800 176.600 -0.045 0.000 0.985 89 E CA 1.161 57.542 56.400 -0.032 0.000 0.801 89 E CB 0.108 29.802 29.700 -0.010 0.000 0.750 89 E HN 0.537 8.897 8.360 -0.000 0.000 0.452 90 Q N -0.065 119.691 119.800 -0.073 0.000 2.123 90 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 90 Q C 2.200 178.154 176.000 -0.076 0.000 0.966 90 Q CA 0.588 56.355 55.803 -0.060 0.000 0.845 90 Q CB -0.009 28.697 28.738 -0.053 0.000 0.907 90 Q HN 0.195 8.465 8.270 -0.000 0.000 0.439 91 L N 1.646 122.759 121.223 -0.183 0.000 2.017 91 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 91 L C 2.476 179.332 176.870 -0.024 0.000 1.073 91 L CA 2.057 56.812 54.840 -0.142 0.000 0.745 91 L CB -0.695 41.199 42.059 -0.275 0.000 0.894 91 L HN 0.287 8.517 8.230 -0.000 0.000 0.432 92 Q N -1.421 118.357 119.800 -0.036 0.000 2.119 92 Q HA -0.260 4.080 4.340 -0.000 0.000 0.201 92 Q C 2.008 178.014 176.000 0.010 0.000 0.972 92 Q CA 1.746 57.545 55.803 -0.007 0.000 0.847 92 Q CB -0.579 28.153 28.738 -0.011 0.000 0.903 92 Q HN 0.652 8.922 8.270 -0.000 0.000 0.433 93 Q N -0.087 119.723 119.800 0.016 0.000 2.050 93 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 93 Q C 2.003 178.036 176.000 0.055 0.000 0.980 93 Q CA 1.787 57.607 55.803 0.029 0.000 0.840 93 Q CB -0.186 28.569 28.738 0.029 0.000 0.898 93 Q HN 0.588 8.858 8.270 -0.000 0.000 0.424 94 H N 0.530 119.583 119.070 -0.028 0.000 2.387 94 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 94 H C 1.752 177.071 175.328 -0.015 0.000 1.090 94 H CA 1.656 57.693 56.048 -0.020 0.000 1.332 94 H CB 0.258 30.006 29.762 -0.024 0.000 1.386 94 H HN 0.210 8.490 8.280 -0.000 0.000 0.516 95 Q N -0.974 118.844 119.800 0.030 0.000 2.311 95 Q HA 0.066 4.406 4.340 -0.000 0.000 0.203 95 Q C 1.092 177.071 176.000 -0.035 0.000 0.954 95 Q CA 0.603 56.395 55.803 -0.017 0.000 0.885 95 Q CB 0.534 29.282 28.738 0.018 0.000 0.963 95 Q HN 0.699 8.969 8.270 -0.000 0.000 0.471 96 G N 2.435 111.219 108.800 -0.027 0.000 2.160 96 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.244 96 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.244 96 G C -0.164 174.727 174.900 -0.014 0.000 1.022 96 G CA 0.510 45.595 45.100 -0.024 0.000 0.741 96 G HN 0.461 8.751 8.290 -0.000 0.000 0.508 97 N N -1.341 117.355 118.700 -0.008 0.000 3.343 97 N HA 0.769 5.509 4.740 -0.000 0.000 0.330 97 N C -0.856 174.652 175.510 -0.004 0.000 1.560 97 N CA -0.018 53.028 53.050 -0.007 0.000 0.752 97 N CB 1.357 39.843 38.487 -0.001 0.000 1.863 97 N HN 0.376 8.756 8.380 -0.000 0.000 0.636 98 T N 0.124 114.676 114.554 -0.004 0.000 2.864 98 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 98 T C -0.757 173.945 174.700 0.004 0.000 1.011 98 T CA -0.674 61.426 62.100 -0.001 0.000 0.975 98 T CB -0.387 68.480 68.868 -0.002 0.000 0.962 98 T HN 0.408 8.648 8.240 -0.000 0.000 0.448 99 I N 5.340 125.912 120.570 0.004 0.000 2.379 99 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 99 I C 0.759 176.882 176.117 0.009 0.000 1.063 99 I CA -0.468 60.836 61.300 0.008 0.000 1.351 99 I CB 0.713 38.715 38.000 0.003 0.000 1.410 99 I HN 0.449 8.659 8.210 -0.000 0.000 0.505 100 K N 7.472 127.878 120.400 0.009 0.000 2.339 100 K HA 0.399 4.719 4.320 -0.000 0.000 0.286 100 K C -0.906 175.689 176.600 -0.007 0.000 1.050 100 K CA -0.321 55.970 56.287 0.006 0.000 0.956 100 K CB 0.638 33.141 32.500 0.005 0.000 0.990 100 K HN 0.470 8.720 8.250 -0.000 0.000 0.475 101 I N 3.400 123.963 120.570 -0.012 0.000 2.404 101 I HA 0.172 4.342 4.170 -0.000 0.000 0.293 101 I C -0.349 175.692 176.117 -0.125 0.000 0.992 101 I CA -0.113 61.143 61.300 -0.074 0.000 1.149 101 I CB 1.961 39.941 38.000 -0.033 0.000 1.315 101 I HN 0.711 8.921 8.210 -0.000 0.000 0.446 102 S N 4.435 119.983 115.700 -0.254 0.000 2.627 102 S HA 0.742 5.212 4.470 -0.000 0.000 0.283 102 S C -1.377 172.964 174.600 -0.431 0.000 1.127 102 S CA -0.813 57.261 58.200 -0.210 0.000 0.863 102 S CB 1.487 64.660 63.200 -0.044 0.000 1.121 102 S HN 0.343 8.653 8.310 -0.000 0.000 0.479 103 Y N 0.563 120.904 120.300 0.068 0.000 2.425 103 Y HA 0.711 5.261 4.550 -0.000 0.000 0.344 103 Y C 0.688 176.624 175.900 0.060 0.000 0.969 103 Y CA -0.373 57.764 58.100 0.062 0.000 1.052 103 Y CB 2.547 41.020 38.460 0.021 0.000 1.215 103 Y HN 1.059 9.339 8.280 -0.000 0.000 0.451 104 T N -2.708 111.974 114.554 0.214 0.000 2.838 104 T HA 0.530 4.880 4.350 -0.000 0.000 0.292 104 T C -0.148 174.636 174.700 0.141 0.000 1.113 104 T CA -1.032 61.160 62.100 0.154 0.000 1.008 104 T CB 1.161 70.110 68.868 0.134 0.000 1.259 104 T HN 0.621 8.861 8.240 -0.000 0.000 0.520 105 T N -1.013 113.601 114.554 0.100 0.000 2.903 105 T HA 0.110 4.460 4.350 -0.000 0.000 0.314 105 T C 1.051 175.838 174.700 0.147 0.000 1.078 105 T CA 0.271 62.421 62.100 0.084 0.000 1.114 105 T CB 0.272 69.178 68.868 0.063 0.000 0.987 105 T HN 0.873 9.113 8.240 -0.000 0.000 0.548 106 H N 0.951 120.033 119.070 0.021 0.000 2.387 106 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 106 H C 1.989 177.412 175.328 0.159 0.000 1.090 106 H CA 2.082 58.172 56.048 0.070 0.000 1.332 106 H CB 0.004 29.797 29.762 0.052 0.000 1.386 106 H HN 0.700 8.980 8.280 -0.000 0.000 0.516 107 E N 0.127 120.370 120.200 0.071 0.000 2.077 107 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 107 E C 2.170 178.781 176.600 0.017 0.000 0.989 107 E CA 1.230 57.639 56.400 0.015 0.000 0.800 107 E CB -0.216 29.512 29.700 0.048 0.000 0.746 107 E HN 0.545 8.905 8.360 -0.000 0.000 0.452 108 Q N 0.199 120.034 119.800 0.058 0.000 2.123 108 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 108 Q C 1.939 177.979 176.000 0.068 0.000 0.966 108 Q CA 0.962 56.797 55.803 0.053 0.000 0.845 108 Q CB -0.592 28.182 28.738 0.060 0.000 0.907 108 Q HN 0.279 8.549 8.270 -0.000 0.000 0.439 109 F N 0.843 120.763 119.950 -0.050 0.000 2.095 109 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 109 F C 1.854 177.602 175.800 -0.087 0.000 1.104 109 F CA 1.829 59.801 58.000 -0.047 0.000 1.232 109 F CB -0.002 38.995 39.000 -0.005 0.000 0.987 109 F HN 0.028 8.328 8.300 -0.000 0.000 0.475 110 K N 0.220 120.689 120.400 0.115 0.000 2.063 110 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 110 K C 2.067 178.644 176.600 -0.039 0.000 1.048 110 K CA 1.900 58.196 56.287 0.015 0.000 0.928 110 K CB -0.169 32.289 32.500 -0.070 0.000 0.713 110 K HN 0.255 8.505 8.250 -0.000 0.000 0.442 111 K N 0.654 121.031 120.400 -0.038 0.000 2.057 111 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 111 K C 2.017 178.571 176.600 -0.076 0.000 1.049 111 K CA 1.111 57.372 56.287 -0.043 0.000 0.931 111 K CB -0.072 32.413 32.500 -0.026 0.000 0.714 111 K HN 0.080 8.330 8.250 -0.000 0.000 0.440 112 L N 0.860 122.012 121.223 -0.119 0.000 2.131 112 L HA -0.180 4.159 4.340 -0.000 0.000 0.210 112 L C 2.598 179.356 176.870 -0.188 0.000 1.092 112 L CA 1.546 56.289 54.840 -0.162 0.000 0.759 112 L CB -1.061 40.868 42.059 -0.217 0.000 0.903 112 L HN 0.421 8.651 8.230 -0.000 0.000 0.435 113 T N -2.613 111.808 114.554 -0.222 0.000 2.881 113 T HA -0.155 4.195 4.350 -0.000 0.000 0.270 113 T C 1.876 176.524 174.700 -0.086 0.000 1.068 113 T CA 0.931 62.931 62.100 -0.167 0.000 1.131 113 T CB -0.336 68.466 68.868 -0.110 0.000 0.871 113 T HN 0.327 8.567 8.240 -0.000 0.000 0.479 114 A N 1.833 124.613 122.820 -0.068 0.000 2.070 114 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 114 A C 1.931 179.490 177.584 -0.043 0.000 1.159 114 A CA 1.456 53.468 52.037 -0.042 0.000 0.656 114 A CB -0.432 18.548 19.000 -0.032 0.000 0.800 114 A HN 0.518 8.668 8.150 -0.000 0.000 0.453 115 D N -0.317 120.049 120.400 -0.058 0.000 2.349 115 D HA 0.069 4.709 4.640 -0.000 0.000 0.214 115 D C 1.024 177.293 176.300 -0.051 0.000 1.063 115 D CA 0.737 54.706 54.000 -0.051 0.000 0.847 115 D CB 0.095 40.860 40.800 -0.058 0.000 0.933 115 D HN 0.519 8.889 8.370 -0.000 0.000 0.513 116 S N 0.014 115.680 115.700 -0.057 0.000 2.624 116 S HA 0.108 4.578 4.470 -0.000 0.000 0.263 116 S C 1.269 175.851 174.600 -0.029 0.000 1.287 116 S CA -0.465 57.706 58.200 -0.048 0.000 0.990 116 S CB 1.864 65.031 63.200 -0.055 0.000 0.950 116 S HN -0.176 8.134 8.310 -0.000 0.000 0.561 117 Q N 0.328 120.115 119.800 -0.021 0.000 2.187 117 Q HA 0.323 4.663 4.340 -0.000 0.000 0.199 117 Q C 0.668 176.664 176.000 -0.007 0.000 0.957 117 Q CA 1.241 57.037 55.803 -0.012 0.000 0.857 117 Q CB -0.414 28.320 28.738 -0.008 0.000 0.929 117 Q HN 0.894 9.164 8.270 -0.000 0.000 0.453 118 A N -0.593 122.224 122.820 -0.005 0.000 2.605 118 A HA 0.564 4.884 4.320 -0.000 0.000 0.294 118 A C -1.413 176.176 177.584 0.009 0.000 1.062 118 A CA -0.610 51.428 52.037 0.003 0.000 0.682 118 A CB 1.493 20.497 19.000 0.006 0.000 1.278 118 A HN -0.077 8.073 8.150 -0.000 0.000 0.410 119 V N 2.091 122.016 119.914 0.019 0.000 2.384 119 V HA 0.424 4.544 4.120 -0.000 0.000 0.287 119 V C -0.492 175.626 176.094 0.041 0.000 1.020 119 V CA -0.134 62.189 62.300 0.038 0.000 0.850 119 V CB 1.204 33.055 31.823 0.047 0.000 0.987 119 V HN 0.643 8.833 8.190 -0.000 0.000 0.436 120 I N 5.372 125.970 120.570 0.046 0.000 2.307 120 I HA 0.463 4.633 4.170 -0.000 0.000 0.289 120 I C 0.458 176.610 176.117 0.058 0.000 1.021 120 I CA -0.252 61.071 61.300 0.038 0.000 1.224 120 I CB 0.865 38.877 38.000 0.020 0.000 1.376 120 I HN 0.511 8.721 8.210 -0.000 0.000 0.470 121 R N 5.603 126.135 120.500 0.054 0.000 2.221 121 R HA 0.387 4.727 4.340 -0.000 0.000 0.327 121 R C 0.076 176.412 176.300 0.060 0.000 1.033 121 R CA -0.230 55.910 56.100 0.067 0.000 0.887 121 R CB 1.056 31.388 30.300 0.053 0.000 1.057 121 R HN 0.818 9.088 8.270 -0.000 0.000 0.455 122 S N 2.163 117.914 115.700 0.085 0.000 2.738 122 S HA 0.349 4.819 4.470 -0.000 0.000 0.284 122 S C 0.993 175.633 174.600 0.067 0.000 1.146 122 S CA -0.437 57.809 58.200 0.077 0.000 0.997 122 S CB 1.670 64.942 63.200 0.119 0.000 1.081 122 S HN 0.682 8.992 8.310 -0.000 0.000 0.553 123 G N -0.671 108.162 108.800 0.055 0.000 3.088 123 G HA2 0.153 4.113 3.960 -0.000 0.000 0.212 123 G HA3 0.153 4.113 3.960 -0.000 0.000 0.212 123 G C 0.228 175.153 174.900 0.041 0.000 1.173 123 G CA -0.215 44.908 45.100 0.039 0.000 0.779 123 G HN 0.746 9.036 8.290 -0.000 0.000 0.540 124 E N -0.376 119.865 120.200 0.068 0.000 2.415 124 E HA 0.159 4.509 4.350 -0.000 0.000 0.263 124 E C 0.679 177.281 176.600 0.004 0.000 0.995 124 E CA -0.057 56.376 56.400 0.055 0.000 0.915 124 E CB 0.476 30.238 29.700 0.103 0.000 0.951 124 E HN 0.040 8.400 8.360 -0.000 0.000 0.449 125 C N 3.359 122.650 119.300 -0.016 0.000 3.065 125 C HA 0.189 4.649 4.460 -0.000 0.000 0.285 125 C C 0.632 175.579 174.990 -0.071 0.000 1.257 125 C CA 0.424 59.417 59.018 -0.041 0.000 1.691 125 C CB -1.141 26.581 27.740 -0.029 0.000 2.089 125 C HN 0.778 9.008 8.230 -0.000 0.000 0.630 126 S N 2.166 117.822 115.700 -0.074 0.000 2.608 126 S HA 0.389 4.859 4.470 -0.000 0.000 0.261 126 S C -2.909 171.599 174.600 -0.154 0.000 1.314 126 S CA -0.574 57.571 58.200 -0.093 0.000 0.992 126 S CB -0.139 63.017 63.200 -0.072 0.000 0.935 126 S HN 0.167 8.477 8.310 -0.000 0.000 0.564 127 P HA 0.326 4.746 4.420 -0.000 0.000 0.279 127 P C -0.860 176.296 177.300 -0.239 0.000 1.239 127 P CA -0.226 62.703 63.100 -0.285 0.000 0.789 127 P CB -0.293 31.308 31.700 -0.166 0.000 0.933 128 Y N -0.361 119.778 120.300 -0.269 0.000 3.825 128 Y HA -0.231 4.319 4.550 -0.000 0.000 0.221 128 Y C 0.845 176.534 175.900 -0.351 0.000 1.195 128 Y CA 0.610 58.507 58.100 -0.338 0.000 1.699 128 Y CB -2.630 35.624 38.460 -0.342 0.000 1.531 128 Y HN 0.439 8.719 8.280 -0.000 0.000 0.640 129 A N 1.099 123.733 122.820 -0.311 0.000 3.091 129 A HA 0.451 4.771 4.320 -0.000 0.000 0.264 129 A C 0.251 177.544 177.584 -0.484 0.000 1.673 129 A CA -0.241 51.422 52.037 -0.623 0.000 1.362 129 A CB -0.330 18.322 19.000 -0.580 0.000 1.137 129 A HN 0.372 8.522 8.150 -0.000 0.000 0.617 130 N N 0.029 118.579 118.700 -0.250 0.000 2.260 130 N HA 0.502 5.242 4.740 -0.000 0.000 0.293 130 N C -1.719 174.008 175.510 0.362 0.000 1.058 130 N CA -0.349 52.792 53.050 0.151 0.000 0.824 130 N CB 2.455 40.961 38.487 0.032 0.000 1.551 130 N HN 0.195 8.575 8.380 -0.000 0.000 0.475 131 V N 2.269 122.572 119.914 0.649 0.000 2.888 131 V HA 0.548 4.668 4.120 -0.000 0.000 0.309 131 V C -1.119 175.211 176.094 0.394 0.000 1.114 131 V CA -0.714 61.928 62.300 0.571 0.000 0.940 131 V CB 2.145 34.259 31.823 0.484 0.000 1.021 131 V HN 0.556 8.746 8.190 -0.000 0.000 0.426 132 I N 6.886 127.590 120.570 0.224 0.000 2.321 132 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 132 I C -0.534 175.605 176.117 0.037 0.000 0.998 132 I CA -0.348 60.956 61.300 0.006 0.000 1.227 132 I CB 1.327 39.208 38.000 -0.198 0.000 1.368 132 I HN 0.380 8.590 8.210 -0.000 0.000 0.466 133 L N 6.210 127.452 121.223 0.032 0.000 2.295 133 L HA 0.465 4.804 4.340 -0.000 0.000 0.285 133 L C -0.684 176.191 176.870 0.008 0.000 1.035 133 L CA -0.568 54.290 54.840 0.030 0.000 0.806 133 L CB 1.493 43.575 42.059 0.037 0.000 1.214 133 L HN 0.611 8.841 8.230 -0.000 0.000 0.426 134 C N 2.645 121.951 119.300 0.009 0.000 2.329 134 C HA 0.707 5.167 4.460 -0.000 0.000 0.329 134 C C 0.839 175.849 174.990 0.034 0.000 1.275 134 C CA -1.053 57.967 59.018 0.004 0.000 1.726 134 C CB 0.650 28.384 27.740 -0.010 0.000 2.291 134 C HN 0.866 9.096 8.230 -0.000 0.000 0.514 135 A N 2.795 125.642 122.820 0.044 0.000 2.409 135 A HA 0.753 5.073 4.320 -0.000 0.000 0.262 135 A C 0.468 178.163 177.584 0.185 0.000 1.113 135 A CA 0.334 52.423 52.037 0.087 0.000 0.790 135 A CB -0.043 19.002 19.000 0.075 0.000 1.046 135 A HN 1.490 9.640 8.150 -0.000 0.000 0.496 136 G N -0.112 108.801 108.800 0.188 0.000 2.556 136 G HA2 0.636 4.596 3.960 -0.000 0.000 0.294 136 G HA3 0.636 4.596 3.960 -0.000 0.000 0.294 136 G C -0.996 173.974 174.900 0.116 0.000 1.516 136 G CA 0.187 45.446 45.100 0.265 0.000 0.824 136 G HN 1.998 10.288 8.290 -0.000 0.000 0.535 137 V N -1.993 117.963 119.914 0.071 0.000 3.102 137 V HA 0.921 5.041 4.120 -0.000 0.000 0.312 137 V C 0.086 176.242 176.094 0.103 0.000 1.135 137 V CA -0.859 61.484 62.300 0.071 0.000 1.022 137 V CB 1.508 33.370 31.823 0.066 0.000 1.056 137 V HN 0.850 9.040 8.190 -0.000 0.000 0.436 138 T N 3.690 118.289 114.554 0.074 0.000 2.897 138 T HA 0.716 5.066 4.350 -0.000 0.000 0.294 138 T C -0.492 174.317 174.700 0.183 0.000 1.004 138 T CA 0.427 62.539 62.100 0.021 0.000 1.106 138 T CB 0.166 69.026 68.868 -0.013 0.000 0.949 138 T HN 0.899 9.139 8.240 -0.000 0.000 0.520 139 F N 0.000 119.909 119.950 -0.068 0.000 2.286 139 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 139 F CA 0.000 57.967 58.000 -0.056 0.000 1.383 139 F CB 0.000 38.960 39.000 -0.067 0.000 1.145 139 F HN 0.000 8.300 8.300 -0.000 0.000 0.574