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 2f0x_1_F DATA FIRST_RESID 3 DATA SEQUENCE SXTQSLREVI KAXTKARNFE RVLGKITLVS AAPGKVICEX KVEEEHTNAI DATA SEQUENCE GTLHGGLTAT LVDNISTXAL LCTERGAPGV SVDXNITYXS PAKLGEDIVI DATA SEQUENCE TAHVLKQGKT LAFTSVDLTN KATGKLIAQG RHTKHL 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 3 S HA 0.000 4.470 4.470 0.000 0.000 0.327 3 S C 0.000 174.598 174.600 -0.003 0.000 1.055 3 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 3 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 6 Q N 1.476 121.273 119.800 -0.004 0.000 2.061 6 Q HA -0.066 4.274 4.340 0.000 0.000 0.204 6 Q C 2.392 178.390 176.000 -0.004 0.000 0.984 6 Q CA 2.021 57.822 55.803 -0.004 0.000 0.846 6 Q CB -0.162 28.574 28.738 -0.003 0.000 0.902 6 Q HN 0.439 8.709 8.270 0.000 0.000 0.421 7 S N -0.251 115.447 115.700 -0.004 0.000 2.382 7 S HA -0.107 4.363 4.470 0.000 0.000 0.228 7 S C 1.695 176.292 174.600 -0.004 0.000 1.027 7 S CA 0.687 58.885 58.200 -0.004 0.000 0.991 7 S CB -0.042 63.156 63.200 -0.003 0.000 0.823 7 S HN 0.214 8.524 8.310 0.000 0.000 0.469 8 L N 1.835 123.055 121.223 -0.006 0.000 2.156 8 L HA 0.217 4.557 4.340 0.000 0.000 0.208 8 L C 2.483 179.348 176.870 -0.008 0.000 1.095 8 L CA 1.390 56.225 54.840 -0.007 0.000 0.770 8 L CB -0.933 41.120 42.059 -0.009 0.000 0.914 8 L HN 0.290 8.521 8.230 0.000 0.000 0.439 9 R N -0.630 119.866 120.500 -0.007 0.000 2.115 9 R HA -0.134 4.206 4.340 0.000 0.000 0.230 9 R C 1.991 178.287 176.300 -0.006 0.000 1.111 9 R CA 1.092 57.188 56.100 -0.007 0.000 0.976 9 R CB -0.059 30.238 30.300 -0.006 0.000 0.870 9 R HN 0.503 8.773 8.270 0.000 0.000 0.445 10 E N 0.121 120.318 120.200 -0.005 0.000 2.028 10 E HA -0.134 4.217 4.350 0.000 0.000 0.191 10 E C 2.075 178.672 176.600 -0.004 0.000 0.988 10 E CA 1.153 57.551 56.400 -0.004 0.000 0.799 10 E CB -0.039 29.659 29.700 -0.003 0.000 0.755 10 E HN 0.020 8.380 8.360 0.000 0.000 0.447 11 V N 1.790 121.701 119.914 -0.004 0.000 2.278 11 V HA -0.315 3.805 4.120 0.000 0.000 0.251 11 V C 2.249 178.340 176.094 -0.006 0.000 1.062 11 V CA 1.826 64.124 62.300 -0.004 0.000 1.038 11 V CB -0.470 31.351 31.823 -0.003 0.000 0.646 11 V HN 0.287 8.477 8.190 0.000 0.000 0.447 12 I N -0.655 119.910 120.570 -0.008 0.000 2.252 12 I HA -0.253 3.917 4.170 0.000 0.000 0.245 12 I C 2.546 178.657 176.117 -0.010 0.000 1.102 12 I CA 1.762 63.056 61.300 -0.011 0.000 1.385 12 I CB -0.488 37.505 38.000 -0.012 0.000 1.064 12 I HN 0.265 8.475 8.210 0.000 0.000 0.414 13 K N 1.615 122.010 120.400 -0.007 0.000 2.032 13 K HA -0.129 4.191 4.320 0.000 0.000 0.209 13 K C 1.317 177.913 176.600 -0.007 0.000 1.048 13 K CA 1.173 57.457 56.287 -0.006 0.000 0.927 13 K CB -0.129 32.368 32.500 -0.005 0.000 0.712 13 K HN 0.297 8.547 8.250 0.000 0.000 0.441 17 K N 1.256 121.650 120.400 -0.010 0.000 2.354 17 K HA 0.835 5.155 4.320 0.000 0.000 0.194 17 K C 0.944 177.540 176.600 -0.006 0.000 1.045 17 K CA 0.678 56.960 56.287 -0.008 0.000 1.026 17 K CB -0.090 32.407 32.500 -0.005 0.000 0.866 17 K HN 0.669 8.919 8.250 0.000 0.000 0.530 18 A N 2.085 124.900 122.820 -0.008 0.000 2.540 18 A HA 0.298 4.618 4.320 0.000 0.000 0.239 18 A C 1.301 178.884 177.584 -0.003 0.000 1.061 18 A CA 0.322 52.357 52.037 -0.003 0.000 0.758 18 A CB 0.076 19.073 19.000 -0.005 0.000 0.991 18 A HN 0.602 8.752 8.150 0.000 0.000 0.502 19 R N 1.548 122.053 120.500 0.008 0.000 2.365 19 R HA 0.031 4.371 4.340 0.000 0.000 0.223 19 R C 0.197 176.517 176.300 0.032 0.000 0.899 19 R CA 0.283 56.391 56.100 0.013 0.000 1.059 19 R CB -0.389 29.919 30.300 0.014 0.000 1.086 19 R HN 0.802 9.072 8.270 0.000 0.000 0.522 20 N N 0.775 119.500 118.700 0.042 0.000 2.332 20 N HA -0.097 4.643 4.740 0.000 0.000 0.282 20 N C 0.569 176.150 175.510 0.117 0.000 1.288 20 N CA -0.516 52.584 53.050 0.084 0.000 0.949 20 N CB -0.125 38.410 38.487 0.081 0.000 1.108 20 N HN -0.088 8.292 8.380 0.000 0.000 0.542 21 F N -0.197 119.753 119.950 0.000 0.000 2.333 21 F HA 0.003 4.530 4.527 0.000 0.000 0.300 21 F C 1.679 177.479 175.800 0.001 0.000 1.083 21 F CA 1.131 59.130 58.000 -0.001 0.000 1.395 21 F CB -0.293 38.706 39.000 -0.002 0.000 1.056 21 F HN 0.557 8.857 8.300 0.000 0.000 0.529 22 E N 0.152 120.351 120.200 -0.002 0.000 2.401 22 E HA -0.237 4.113 4.350 0.000 0.000 0.199 22 E C 2.193 178.712 176.600 -0.134 0.000 1.023 22 E CA 0.668 57.024 56.400 -0.073 0.000 0.859 22 E CB -0.290 29.408 29.700 -0.002 0.000 0.780 22 E HN 0.552 8.912 8.360 0.000 0.000 0.523 23 R N 1.252 121.669 120.500 -0.139 0.000 2.159 23 R HA -0.117 4.223 4.340 0.000 0.000 0.237 23 R C 2.117 178.326 176.300 -0.151 0.000 1.131 23 R CA 1.619 57.651 56.100 -0.114 0.000 0.982 23 R CB -0.856 29.393 30.300 -0.085 0.000 0.868 23 R HN 0.212 8.482 8.270 0.000 0.000 0.453 24 V N -0.910 118.832 119.914 -0.287 0.000 3.241 24 V HA -0.010 4.110 4.120 0.000 0.000 0.269 24 V C 1.615 177.625 176.094 -0.140 0.000 1.151 24 V CA 1.163 63.307 62.300 -0.259 0.000 1.158 24 V CB -0.476 31.039 31.823 -0.514 0.000 0.764 24 V HN 0.281 8.471 8.190 0.000 0.000 0.508 25 L N 0.546 121.691 121.223 -0.130 0.000 2.769 25 L HA 0.437 4.777 4.340 0.000 0.000 0.240 25 L C 2.372 179.215 176.870 -0.044 0.000 1.163 25 L CA 0.442 55.228 54.840 -0.091 0.000 0.962 25 L CB -0.301 41.704 42.059 -0.090 0.000 1.258 25 L HN 0.377 8.607 8.230 0.000 0.000 0.513 26 G N 0.682 109.467 108.800 -0.025 0.000 2.485 26 G HA2 -0.229 3.731 3.960 0.000 0.000 0.221 26 G HA3 -0.229 3.731 3.960 0.000 0.000 0.221 26 G C 1.603 176.511 174.900 0.012 0.000 1.115 26 G CA 0.595 45.691 45.100 -0.008 0.000 0.751 26 G HN 0.153 8.443 8.290 0.000 0.000 0.567 27 K N 0.357 120.785 120.400 0.047 0.000 2.426 27 K HA 0.175 4.495 4.320 0.000 0.000 0.193 27 K C 1.388 178.001 176.600 0.021 0.000 1.028 27 K CA -0.302 56.021 56.287 0.060 0.000 1.047 27 K CB -0.149 32.450 32.500 0.165 0.000 0.821 27 K HN 0.653 8.903 8.250 0.000 0.000 0.513 28 I N 0.387 120.948 120.570 -0.016 0.000 2.779 28 I HA 0.097 4.267 4.170 0.000 0.000 0.285 28 I C 0.067 176.173 176.117 -0.017 0.000 1.134 28 I CA -0.273 61.008 61.300 -0.031 0.000 1.398 28 I CB 0.747 38.717 38.000 -0.051 0.000 1.404 28 I HN -0.099 8.111 8.210 0.000 0.000 0.587 29 T N 3.891 118.435 114.554 -0.016 0.000 2.893 29 T HA 0.547 4.897 4.350 0.000 0.000 0.291 29 T C -0.604 174.086 174.700 -0.015 0.000 1.028 29 T CA -0.890 61.203 62.100 -0.012 0.000 0.995 29 T CB 1.839 70.703 68.868 -0.006 0.000 1.051 29 T HN 0.684 8.924 8.240 0.000 0.000 0.470 30 L N 3.386 124.600 121.223 -0.014 0.000 2.319 30 L HA 0.486 4.827 4.340 0.000 0.000 0.280 30 L C 0.675 177.536 176.870 -0.014 0.000 1.099 30 L CA 0.111 54.942 54.840 -0.016 0.000 0.828 30 L CB 0.748 42.799 42.059 -0.014 0.000 1.150 30 L HN 0.709 8.940 8.230 0.000 0.000 0.442 31 V N 2.674 122.578 119.914 -0.017 0.000 2.490 31 V HA 0.270 4.390 4.120 0.000 0.000 0.238 31 V C 0.672 176.756 176.094 -0.015 0.000 1.056 31 V CA 1.157 63.448 62.300 -0.015 0.000 1.075 31 V CB 0.084 31.897 31.823 -0.016 0.000 0.746 31 V HN 0.938 9.128 8.190 0.000 0.000 0.479 32 S N -1.148 114.540 115.700 -0.021 0.000 2.565 32 S HA 0.837 5.307 4.470 0.000 0.000 0.269 32 S C -0.939 173.645 174.600 -0.026 0.000 1.153 32 S CA -0.144 58.044 58.200 -0.020 0.000 0.835 32 S CB 2.173 65.362 63.200 -0.018 0.000 1.122 32 S HN 0.810 9.120 8.310 0.000 0.000 0.462 33 A N 0.362 123.170 122.820 -0.021 0.000 2.398 33 A HA 1.009 5.329 4.320 0.000 0.000 0.301 33 A C -0.314 177.261 177.584 -0.016 0.000 1.041 33 A CA -0.359 51.665 52.037 -0.021 0.000 0.711 33 A CB 1.161 20.152 19.000 -0.016 0.000 1.240 33 A HN 2.115 10.265 8.150 0.000 0.000 0.420 34 A N 2.448 125.258 122.820 -0.017 0.000 2.593 34 A HA 0.922 5.242 4.320 0.000 0.000 0.290 34 A C -3.177 174.407 177.584 -0.001 0.000 1.126 34 A CA -1.666 50.367 52.037 -0.006 0.000 0.695 34 A CB 0.864 19.862 19.000 -0.003 0.000 1.290 34 A HN 0.492 8.642 8.150 0.000 0.000 0.414 35 P HA 0.254 4.674 4.420 0.000 0.000 0.258 35 P C 0.983 178.298 177.300 0.024 0.000 1.187 35 P CA 2.369 65.478 63.100 0.015 0.000 0.767 35 P CB 0.347 32.058 31.700 0.018 0.000 0.770 36 G N 2.216 111.029 108.800 0.022 0.000 2.166 36 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 36 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 36 G C 0.127 175.039 174.900 0.021 0.000 0.986 36 G CA 0.389 45.512 45.100 0.037 0.000 0.683 36 G HN 0.667 8.957 8.290 0.000 0.000 0.527 37 K N -0.525 119.862 120.400 -0.022 0.000 2.553 37 K HA 0.619 4.939 4.320 0.000 0.000 0.250 37 K C -1.219 175.322 176.600 -0.099 0.000 0.953 37 K CA -0.736 55.486 56.287 -0.108 0.000 0.800 37 K CB 2.280 34.713 32.500 -0.111 0.000 1.243 37 K HN 0.130 8.380 8.250 0.000 0.000 0.435 38 V N 5.642 125.480 119.914 -0.127 0.000 2.686 38 V HA 0.511 4.631 4.120 0.000 0.000 0.306 38 V C -0.660 175.376 176.094 -0.097 0.000 1.065 38 V CA -0.770 61.479 62.300 -0.084 0.000 0.894 38 V CB 1.884 33.675 31.823 -0.053 0.000 1.004 38 V HN 0.685 8.875 8.190 0.000 0.000 0.424 39 I N 3.717 124.244 120.570 -0.071 0.000 2.406 39 I HA 0.589 4.759 4.170 0.000 0.000 0.290 39 I C -0.523 175.569 176.117 -0.041 0.000 0.999 39 I CA -0.193 61.071 61.300 -0.060 0.000 1.124 39 I CB 1.764 39.733 38.000 -0.052 0.000 1.289 39 I HN 0.535 8.745 8.210 0.000 0.000 0.441 40 C N 4.494 123.772 119.300 -0.038 0.000 2.848 40 C HA 0.615 5.075 4.460 0.000 0.000 0.317 40 C C 0.016 174.989 174.990 -0.027 0.000 1.260 40 C CA -0.427 58.572 59.018 -0.031 0.000 1.656 40 C CB 2.311 30.030 27.740 -0.034 0.000 2.174 40 C HN 0.755 8.985 8.230 0.000 0.000 0.479 44 V N 4.004 123.994 119.914 0.127 0.000 2.485 44 V HA 0.084 4.204 4.120 0.000 0.000 0.287 44 V C 0.334 176.524 176.094 0.160 0.000 1.022 44 V CA 0.493 62.916 62.300 0.206 0.000 1.067 44 V CB 0.580 32.473 31.823 0.116 0.000 0.967 44 V HN 0.721 8.911 8.190 0.000 0.000 0.479 45 E N 2.587 122.879 120.200 0.155 0.000 2.316 45 E HA 0.299 4.649 4.350 0.000 0.000 0.258 45 E C 0.638 177.175 176.600 -0.105 0.000 0.952 45 E CA -0.778 55.583 56.400 -0.064 0.000 0.818 45 E CB 1.391 30.969 29.700 -0.205 0.000 1.260 45 E HN 0.620 8.980 8.360 0.000 0.000 0.416 46 E N 1.348 121.488 120.200 -0.100 0.000 2.160 46 E HA -0.248 4.102 4.350 0.000 0.000 0.195 46 E C 1.479 178.023 176.600 -0.094 0.000 0.991 46 E CA 2.032 58.392 56.400 -0.068 0.000 0.810 46 E CB -0.025 29.642 29.700 -0.054 0.000 0.742 46 E HN 0.569 8.929 8.360 0.000 0.000 0.466 47 E N -1.466 118.607 120.200 -0.212 0.000 2.418 47 E HA -0.169 4.181 4.350 0.000 0.000 0.197 47 E C 0.976 177.501 176.600 -0.124 0.000 1.026 47 E CA 1.081 57.357 56.400 -0.207 0.000 0.862 47 E CB -0.356 29.172 29.700 -0.287 0.000 0.799 47 E HN 0.564 8.924 8.360 0.000 0.000 0.518 48 H N 0.699 119.770 119.070 0.001 0.000 2.586 48 H HA 0.126 4.682 4.556 0.000 0.000 0.273 48 H C 0.372 175.734 175.328 0.056 0.000 0.997 48 H CA 0.160 56.217 56.048 0.016 0.000 1.177 48 H CB 0.723 30.493 29.762 0.013 0.000 1.471 48 H HN 0.187 8.467 8.280 0.000 0.000 0.538 49 T N -0.618 114.021 114.554 0.142 0.000 2.912 49 T HA 0.241 4.591 4.350 0.000 0.000 0.280 49 T C 0.611 175.415 174.700 0.174 0.000 0.989 49 T CA -1.002 61.175 62.100 0.129 0.000 0.995 49 T CB 2.027 70.936 68.868 0.069 0.000 1.077 49 T HN 0.296 8.536 8.240 0.000 0.000 0.531 50 N N 0.126 118.915 118.700 0.148 0.000 2.867 50 N HA 0.547 5.287 4.740 0.000 0.000 0.326 50 N C 1.530 177.086 175.510 0.076 0.000 1.355 50 N CA -0.410 52.745 53.050 0.174 0.000 0.830 50 N CB -0.328 38.132 38.487 -0.046 0.000 1.152 50 N HN 0.695 9.075 8.380 0.000 0.000 0.569 51 A N -0.363 122.481 122.820 0.040 0.000 1.972 51 A HA -0.024 4.296 4.320 0.000 0.000 0.219 51 A C 1.783 179.369 177.584 0.004 0.000 1.169 51 A CA 1.633 53.682 52.037 0.020 0.000 0.635 51 A CB -1.192 17.813 19.000 0.008 0.000 0.810 51 A HN 0.705 8.855 8.150 0.000 0.000 0.446 52 I N -5.146 115.418 120.570 -0.011 0.000 3.904 52 I HA 0.527 4.697 4.170 0.000 0.000 0.333 52 I C 1.069 177.184 176.117 -0.004 0.000 1.361 52 I CA 0.510 61.803 61.300 -0.012 0.000 1.116 52 I CB -0.043 37.942 38.000 -0.024 0.000 1.028 52 I HN 0.320 8.530 8.210 0.000 0.000 0.398 53 G N 1.861 110.666 108.800 0.007 0.000 2.176 53 G HA2 -0.286 3.674 3.960 0.000 0.000 0.253 53 G HA3 -0.286 3.674 3.960 0.000 0.000 0.253 53 G C 0.319 175.231 174.900 0.019 0.000 0.979 53 G CA 0.440 45.549 45.100 0.015 0.000 0.641 53 G HN 0.723 9.013 8.290 0.000 0.000 0.530 54 T N -1.813 112.747 114.554 0.011 0.000 2.923 54 T HA 0.722 5.072 4.350 0.000 0.000 0.281 54 T C 0.453 175.175 174.700 0.037 0.000 0.995 54 T CA -0.462 61.647 62.100 0.015 0.000 0.985 54 T CB 2.094 70.957 68.868 -0.008 0.000 1.114 54 T HN 1.120 9.360 8.240 0.000 0.000 0.548 55 L N 1.871 123.124 121.223 0.050 0.000 2.540 55 L HA 0.186 4.526 4.340 0.000 0.000 0.276 55 L C 0.232 177.145 176.870 0.073 0.000 1.212 55 L CA 0.307 55.198 54.840 0.085 0.000 0.893 55 L CB -0.743 41.362 42.059 0.076 0.000 1.138 55 L HN 0.863 9.093 8.230 0.000 0.000 0.491 56 H N 3.425 122.517 119.070 0.037 0.000 2.848 56 H HA 0.235 4.791 4.556 0.000 0.000 0.317 56 H C 1.338 176.681 175.328 0.025 0.000 1.046 56 H CA 0.939 56.998 56.048 0.018 0.000 1.470 56 H CB 1.227 31.015 29.762 0.043 0.000 1.483 56 H HN 0.859 9.139 8.280 0.000 0.000 0.548 57 G N 3.039 111.740 108.800 -0.165 0.000 2.485 57 G HA2 -0.296 3.664 3.960 0.000 0.000 0.221 57 G HA3 -0.296 3.664 3.960 0.000 0.000 0.221 57 G C 1.662 176.730 174.900 0.280 0.000 1.115 57 G CA 0.653 45.736 45.100 -0.028 0.000 0.751 57 G HN 0.760 9.050 8.290 0.000 0.000 0.567 58 G N 0.452 109.561 108.800 0.514 0.000 2.403 58 G HA2 -0.036 3.924 3.960 0.000 0.000 0.216 58 G HA3 -0.036 3.924 3.960 0.000 0.000 0.216 58 G C 1.654 176.709 174.900 0.258 0.000 1.154 58 G CA 0.856 46.192 45.100 0.394 0.000 0.784 58 G HN 0.388 8.678 8.290 0.000 0.000 0.538 59 L N 0.955 122.322 121.223 0.240 0.000 2.109 59 L HA 0.093 4.433 4.340 0.000 0.000 0.207 59 L C 2.818 179.750 176.870 0.103 0.000 1.086 59 L CA 2.133 57.048 54.840 0.126 0.000 0.760 59 L CB -0.913 41.197 42.059 0.085 0.000 0.910 59 L HN 0.134 8.364 8.230 0.000 0.000 0.437 60 T N -0.051 114.593 114.554 0.151 0.000 2.720 60 T HA -0.190 4.160 4.350 0.000 0.000 0.268 60 T C 1.909 176.659 174.700 0.085 0.000 1.037 60 T CA 1.460 63.636 62.100 0.125 0.000 1.144 60 T CB -0.478 68.534 68.868 0.239 0.000 0.864 60 T HN 0.529 8.769 8.240 0.000 0.000 0.444 61 A N 1.189 124.085 122.820 0.127 0.000 1.902 61 A HA -0.134 4.186 4.320 0.000 0.000 0.217 61 A C 2.564 180.168 177.584 0.032 0.000 1.181 61 A CA 2.156 54.233 52.037 0.066 0.000 0.623 61 A CB -1.263 17.802 19.000 0.109 0.000 0.818 61 A HN 0.483 8.633 8.150 0.000 0.000 0.443 62 T N 0.484 115.091 114.554 0.087 0.000 2.746 62 T HA -0.104 4.246 4.350 0.000 0.000 0.267 62 T C 1.801 176.513 174.700 0.020 0.000 1.039 62 T CA 1.504 63.661 62.100 0.095 0.000 1.142 62 T CB -0.394 68.571 68.868 0.162 0.000 0.866 62 T HN 0.357 8.597 8.240 0.000 0.000 0.444 63 L N 0.560 121.782 121.223 -0.001 0.000 2.017 63 L HA -0.104 4.236 4.340 0.000 0.000 0.208 63 L C 2.674 179.518 176.870 -0.043 0.000 1.073 63 L CA 0.934 55.757 54.840 -0.030 0.000 0.745 63 L CB -0.710 41.328 42.059 -0.034 0.000 0.894 63 L HN 0.135 8.365 8.230 0.000 0.000 0.432 64 V N -0.089 119.790 119.914 -0.058 0.000 2.233 64 V HA -0.359 3.761 4.120 0.000 0.000 0.247 64 V C 2.338 178.336 176.094 -0.160 0.000 1.050 64 V CA 2.200 64.439 62.300 -0.101 0.000 1.010 64 V CB -0.564 31.181 31.823 -0.130 0.000 0.637 64 V HN 0.531 8.721 8.190 0.000 0.000 0.444 65 D N 0.185 120.450 120.400 -0.225 0.000 2.106 65 D HA -0.211 4.429 4.640 0.000 0.000 0.191 65 D C 2.025 178.298 176.300 -0.046 0.000 0.997 65 D CA 1.884 55.734 54.000 -0.250 0.000 0.834 65 D CB -0.347 40.371 40.800 -0.137 0.000 0.956 65 D HN 0.415 8.785 8.370 0.000 0.000 0.448 66 N N -0.196 118.495 118.700 -0.015 0.000 2.109 66 N HA -0.058 4.682 4.740 0.000 0.000 0.188 66 N C 2.233 177.746 175.510 0.005 0.000 1.034 66 N CA 0.748 53.804 53.050 0.010 0.000 0.846 66 N CB -0.076 38.416 38.487 0.008 0.000 1.010 66 N HN 0.326 8.706 8.380 0.000 0.000 0.425 67 I N 0.498 121.061 120.570 -0.012 0.000 2.493 67 I HA -0.183 3.987 4.170 0.000 0.000 0.254 67 I C 2.515 178.633 176.117 0.002 0.000 1.160 67 I CA 0.525 61.817 61.300 -0.013 0.000 1.445 67 I CB -0.255 37.729 38.000 -0.027 0.000 1.086 67 I HN 0.069 8.279 8.210 0.000 0.000 0.433 68 S N 0.162 115.872 115.700 0.017 0.000 2.368 68 S HA -0.106 4.364 4.470 0.000 0.000 0.225 68 S C 1.338 175.985 174.600 0.078 0.000 1.030 68 S CA 1.264 59.504 58.200 0.067 0.000 0.999 68 S CB -0.313 62.965 63.200 0.131 0.000 0.844 68 S HN 0.397 8.707 8.310 0.000 0.000 0.459 72 L N 0.990 122.223 121.223 0.016 0.000 2.141 72 L HA 0.093 4.433 4.340 0.000 0.000 0.209 72 L C 2.221 179.092 176.870 0.003 0.000 1.094 72 L CA 1.753 56.599 54.840 0.010 0.000 0.763 72 L CB -0.928 41.134 42.059 0.005 0.000 0.908 72 L HN 0.526 8.756 8.230 0.000 0.000 0.437 73 L N -1.812 119.412 121.223 0.002 0.000 2.201 73 L HA -0.199 4.141 4.340 0.000 0.000 0.212 73 L C 1.548 178.418 176.870 -0.001 0.000 1.105 73 L CA 0.476 55.315 54.840 -0.001 0.000 0.775 73 L CB -0.434 41.625 42.059 -0.001 0.000 0.913 73 L HN 0.231 8.461 8.230 0.000 0.000 0.440 74 C N 0.631 119.931 119.300 0.000 0.000 2.269 74 C HA 0.168 4.628 4.460 0.000 0.000 0.378 74 C C 1.318 176.311 174.990 0.005 0.000 1.319 74 C CA -0.345 58.673 59.018 0.000 0.000 1.721 74 C CB -2.001 25.737 27.740 -0.003 0.000 1.998 74 C HN 0.465 8.695 8.230 0.000 0.000 0.582 75 T N -3.945 110.612 114.554 0.005 0.000 2.888 75 T HA 0.369 4.719 4.350 0.000 0.000 0.288 75 T C 0.745 175.447 174.700 0.004 0.000 1.063 75 T CA -0.541 61.563 62.100 0.007 0.000 1.010 75 T CB 1.330 70.204 68.868 0.010 0.000 1.214 75 T HN 0.311 8.551 8.240 0.000 0.000 0.533 76 E N 0.048 120.250 120.200 0.005 0.000 2.051 76 E HA -0.154 4.196 4.350 0.000 0.000 0.192 76 E C 2.234 178.833 176.600 -0.002 0.000 0.991 76 E CA 0.962 57.363 56.400 0.002 0.000 0.799 76 E CB -0.067 29.636 29.700 0.004 0.000 0.748 76 E HN 0.586 8.946 8.360 0.000 0.000 0.449 77 R N 0.259 120.756 120.500 -0.004 0.000 2.090 77 R HA -0.078 4.262 4.340 0.000 0.000 0.228 77 R C 1.261 177.553 176.300 -0.013 0.000 1.110 77 R CA 1.107 57.201 56.100 -0.011 0.000 0.973 77 R CB -0.237 30.054 30.300 -0.015 0.000 0.869 77 R HN 0.284 8.554 8.270 0.000 0.000 0.440 78 G N -0.123 108.671 108.800 -0.010 0.000 2.258 78 G HA2 -0.324 3.636 3.960 0.000 0.000 0.274 78 G HA3 -0.324 3.636 3.960 0.000 0.000 0.274 78 G C -0.089 174.802 174.900 -0.016 0.000 1.021 78 G CA 0.448 45.542 45.100 -0.010 0.000 0.798 78 G HN 0.633 8.923 8.290 0.000 0.000 0.507 79 A N 0.289 123.095 122.820 -0.024 0.000 2.301 79 A HA 0.794 5.114 4.320 0.000 0.000 0.298 79 A C 0.043 177.608 177.584 -0.031 0.000 1.185 79 A CA -0.763 51.255 52.037 -0.033 0.000 0.830 79 A CB 1.116 20.086 19.000 -0.051 0.000 1.112 79 A HN 0.155 8.305 8.150 0.000 0.000 0.508 80 P HA 0.057 4.477 4.420 0.000 0.000 0.215 80 P C 0.897 178.183 177.300 -0.024 0.000 1.157 80 P CA 1.537 64.629 63.100 -0.013 0.000 0.859 80 P CB -0.125 31.573 31.700 -0.003 0.000 0.786 81 G N -0.763 108.012 108.800 -0.042 0.000 2.781 81 G HA2 -0.087 3.873 3.960 0.000 0.000 0.683 81 G HA3 -0.087 3.873 3.960 0.000 0.000 0.683 81 G C -0.847 174.037 174.900 -0.026 0.000 1.390 81 G CA -0.417 44.646 45.100 -0.061 0.000 0.850 81 G HN 0.255 8.545 8.290 0.000 0.000 0.557 82 V N 0.568 120.471 119.914 -0.019 0.000 2.628 82 V HA 0.661 4.781 4.120 0.000 0.000 0.306 82 V C 0.901 176.992 176.094 -0.005 0.000 1.045 82 V CA -0.307 62.003 62.300 0.016 0.000 0.905 82 V CB 1.880 33.729 31.823 0.043 0.000 0.997 82 V HN 1.116 9.306 8.190 0.000 0.000 0.436 83 S N 2.090 117.807 115.700 0.028 0.000 2.549 83 S HA 0.243 4.713 4.470 0.000 0.000 0.286 83 S C 0.722 175.316 174.600 -0.010 0.000 1.314 83 S CA -0.310 57.903 58.200 0.022 0.000 1.062 83 S CB 1.217 64.530 63.200 0.189 0.000 0.865 83 S HN 0.537 8.847 8.310 0.000 0.000 0.498 84 V N 2.077 121.952 119.914 -0.065 0.000 2.950 84 V HA 0.236 4.356 4.120 0.000 0.000 0.231 84 V C 0.254 176.346 176.094 -0.003 0.000 1.205 84 V CA 0.580 62.850 62.300 -0.050 0.000 1.239 84 V CB 0.091 31.858 31.823 -0.094 0.000 1.050 84 V HN 0.682 8.872 8.190 0.000 0.000 0.498 88 I N 1.686 122.197 120.570 -0.099 0.000 2.498 88 I HA 0.317 4.488 4.170 0.000 0.000 0.290 88 I C -0.132 175.776 176.117 -0.350 0.000 1.032 88 I CA -0.492 60.648 61.300 -0.267 0.000 1.073 88 I CB 2.298 40.051 38.000 -0.411 0.000 1.251 88 I HN 0.290 8.500 8.210 0.000 0.000 0.426 89 T N 4.974 119.330 114.554 -0.330 0.000 2.758 89 T HA 0.516 4.866 4.350 0.000 0.000 0.285 89 T C -0.566 173.954 174.700 -0.300 0.000 0.981 89 T CA -0.298 61.672 62.100 -0.217 0.000 0.965 89 T CB 0.392 69.207 68.868 -0.090 0.000 0.927 89 T HN 0.193 8.433 8.240 0.000 0.000 0.448 93 P HA 0.553 4.973 4.420 0.000 0.000 0.272 93 P C -0.954 176.366 177.300 0.033 0.000 1.223 93 P CA -0.317 62.801 63.100 0.030 0.000 0.784 93 P CB 0.564 32.270 31.700 0.010 0.000 0.923 94 A N 1.072 123.914 122.820 0.037 0.000 2.267 94 A HA 0.614 4.934 4.320 0.000 0.000 0.315 94 A C 0.312 177.916 177.584 0.034 0.000 1.297 94 A CA -0.562 51.497 52.037 0.037 0.000 0.865 94 A CB -0.128 18.899 19.000 0.045 0.000 1.165 94 A HN 0.518 8.668 8.150 0.000 0.000 0.513 95 K N 2.202 122.619 120.400 0.029 0.000 2.107 95 K HA 0.649 4.969 4.320 0.000 0.000 0.251 95 K C 0.176 176.796 176.600 0.033 0.000 1.012 95 K CA -0.520 55.783 56.287 0.026 0.000 0.920 95 K CB 0.289 32.800 32.500 0.019 0.000 1.033 95 K HN 0.858 9.108 8.250 0.000 0.000 0.478 96 L N 1.072 122.314 121.223 0.030 0.000 2.514 96 L HA 0.285 4.625 4.340 0.000 0.000 0.280 96 L C 1.659 178.546 176.870 0.028 0.000 1.223 96 L CA 1.905 56.764 54.840 0.032 0.000 0.864 96 L CB 0.283 42.354 42.059 0.020 0.000 1.118 96 L HN 1.189 9.419 8.230 0.000 0.000 0.494 97 G N 2.469 111.289 108.800 0.032 0.000 2.245 97 G HA2 -0.329 3.631 3.960 0.000 0.000 0.264 97 G HA3 -0.329 3.631 3.960 0.000 0.000 0.264 97 G C 0.363 175.280 174.900 0.028 0.000 0.985 97 G CA 0.505 45.621 45.100 0.026 0.000 0.625 97 G HN 0.691 8.981 8.290 0.000 0.000 0.536 98 E N 0.990 121.209 120.200 0.032 0.000 2.390 98 E HA 0.359 4.709 4.350 0.000 0.000 0.261 98 E C -0.740 175.878 176.600 0.030 0.000 1.076 98 E CA -0.425 55.992 56.400 0.028 0.000 0.905 98 E CB 0.341 30.058 29.700 0.028 0.000 0.984 98 E HN 0.228 8.588 8.360 0.000 0.000 0.427 99 D N 3.459 123.872 120.400 0.022 0.000 2.233 99 D HA 0.291 4.931 4.640 0.000 0.000 0.240 99 D C -0.151 176.157 176.300 0.014 0.000 1.074 99 D CA -0.238 53.773 54.000 0.018 0.000 0.838 99 D CB 1.022 41.831 40.800 0.014 0.000 1.124 99 D HN 0.389 8.759 8.370 0.000 0.000 0.475 100 I N -1.439 119.136 120.570 0.008 0.000 2.797 100 I HA 0.652 4.822 4.170 0.000 0.000 0.307 100 I C -0.859 175.256 176.117 -0.004 0.000 1.033 100 I CA -0.991 60.311 61.300 0.004 0.000 1.071 100 I CB 2.082 40.083 38.000 0.002 0.000 1.255 100 I HN -0.096 8.114 8.210 0.000 0.000 0.445 101 V N 5.162 125.074 119.914 -0.003 0.000 2.448 101 V HA 0.450 4.570 4.120 0.000 0.000 0.295 101 V C -0.310 175.777 176.094 -0.011 0.000 1.025 101 V CA -0.371 61.925 62.300 -0.008 0.000 0.859 101 V CB 1.551 33.373 31.823 -0.002 0.000 0.988 101 V HN 0.511 8.701 8.190 0.000 0.000 0.431 102 I N 3.720 124.278 120.570 -0.021 0.000 2.328 102 I HA 0.448 4.618 4.170 0.000 0.000 0.287 102 I C 0.312 176.408 176.117 -0.036 0.000 1.012 102 I CA 0.214 61.498 61.300 -0.025 0.000 1.195 102 I CB 1.700 39.680 38.000 -0.033 0.000 1.350 102 I HN 0.519 8.729 8.210 0.000 0.000 0.464 103 T N 5.684 120.218 114.554 -0.034 0.000 2.772 103 T HA 0.760 5.110 4.350 0.000 0.000 0.288 103 T C -0.168 174.478 174.700 -0.090 0.000 0.994 103 T CA -0.608 61.446 62.100 -0.077 0.000 0.951 103 T CB 1.248 70.088 68.868 -0.046 0.000 0.933 103 T HN 0.618 8.858 8.240 0.000 0.000 0.447 104 A N 3.731 126.459 122.820 -0.154 0.000 2.318 104 A HA 0.699 5.019 4.320 0.000 0.000 0.324 104 A C -0.656 176.803 177.584 -0.207 0.000 1.170 104 A CA -0.726 51.252 52.037 -0.098 0.000 0.810 104 A CB 0.697 19.672 19.000 -0.042 0.000 1.198 104 A HN 0.885 9.035 8.150 0.000 0.000 0.484 105 H N 1.518 120.606 119.070 0.030 0.000 2.529 105 H HA 0.350 4.906 4.556 0.000 0.000 0.348 105 H C -0.965 174.391 175.328 0.047 0.000 1.079 105 H CA -0.489 55.578 56.048 0.032 0.000 1.198 105 H CB 1.989 31.768 29.762 0.028 0.000 1.521 105 H HN 0.372 8.652 8.280 0.000 0.000 0.514 106 V N 5.597 125.608 119.914 0.161 0.000 2.408 106 V HA 0.000 4.120 4.120 0.000 0.000 0.267 106 V C 1.619 177.794 176.094 0.135 0.000 1.047 106 V CA 0.060 62.436 62.300 0.126 0.000 0.937 106 V CB 0.441 32.315 31.823 0.084 0.000 0.999 106 V HN 0.677 8.867 8.190 0.000 0.000 0.472 107 L N 3.623 124.934 121.223 0.146 0.000 2.131 107 L HA 0.131 4.471 4.340 0.000 0.000 0.206 107 L C 0.894 177.832 176.870 0.113 0.000 1.087 107 L CA 0.933 55.841 54.840 0.114 0.000 0.767 107 L CB -0.122 42.003 42.059 0.109 0.000 0.917 107 L HN 0.754 8.984 8.230 0.000 0.000 0.441 108 K N 0.037 120.547 120.400 0.182 0.000 2.675 108 K HA 0.303 4.623 4.320 0.000 0.000 0.280 108 K C -1.822 174.924 176.600 0.244 0.000 0.993 108 K CA -0.726 55.672 56.287 0.185 0.000 0.863 108 K CB 1.021 33.614 32.500 0.155 0.000 1.438 108 K HN 0.063 8.313 8.250 0.000 0.000 0.389 109 Q N 1.570 121.464 119.800 0.156 0.000 2.320 109 Q HA 0.688 5.028 4.340 0.000 0.000 0.272 109 Q C -0.996 175.049 176.000 0.075 0.000 1.023 109 Q CA -1.009 54.851 55.803 0.095 0.000 0.855 109 Q CB 2.197 30.951 28.738 0.027 0.000 1.367 109 Q HN 0.799 9.069 8.270 0.000 0.000 0.406 110 G N 0.698 109.535 108.800 0.061 0.000 3.107 110 G HA2 0.527 4.487 3.960 0.000 0.000 0.232 110 G HA3 0.527 4.487 3.960 0.000 0.000 0.232 110 G C 0.547 175.455 174.900 0.012 0.000 1.339 110 G CA -0.170 44.960 45.100 0.051 0.000 1.033 110 G HN 0.711 9.001 8.290 0.000 0.000 0.567 111 K N -1.433 118.975 120.400 0.015 0.000 2.103 111 K HA -0.004 4.316 4.320 0.000 0.000 0.207 111 K C 2.014 178.598 176.600 -0.027 0.000 1.048 111 K CA 2.650 58.935 56.287 -0.004 0.000 0.930 111 K CB -0.727 31.777 32.500 0.006 0.000 0.716 111 K HN 0.561 8.811 8.250 0.000 0.000 0.444 112 T N -1.753 112.792 114.554 -0.015 0.000 3.041 112 T HA 0.372 4.722 4.350 0.000 0.000 0.276 112 T C -1.034 173.650 174.700 -0.027 0.000 0.948 112 T CA -0.234 61.842 62.100 -0.040 0.000 0.885 112 T CB 0.152 69.045 68.868 0.042 0.000 1.175 112 T HN 0.118 8.358 8.240 0.000 0.000 0.529 113 L N 2.025 123.212 121.223 -0.060 0.000 2.386 113 L HA 0.891 5.231 4.340 0.000 0.000 0.271 113 L C -0.688 175.945 176.870 -0.395 0.000 0.993 113 L CA -1.076 53.630 54.840 -0.222 0.000 0.819 113 L CB 1.530 43.461 42.059 -0.213 0.000 1.294 113 L HN 0.130 8.360 8.230 0.000 0.000 0.414 114 A N 3.324 125.799 122.820 -0.575 0.000 2.371 114 A HA 0.866 5.186 4.320 0.000 0.000 0.311 114 A C -1.533 175.650 177.584 -0.669 0.000 1.068 114 A CA -0.336 51.428 52.037 -0.455 0.000 0.744 114 A CB 0.788 19.661 19.000 -0.211 0.000 1.239 114 A HN 0.404 8.554 8.150 0.000 0.000 0.435 115 F N 1.143 121.089 119.950 -0.007 0.000 2.507 115 F HA 0.681 5.208 4.527 -0.000 0.000 0.325 115 F C 0.799 176.618 175.800 0.031 0.000 1.116 115 F CA -0.253 57.748 58.000 0.002 0.000 0.930 115 F CB 2.714 41.718 39.000 0.006 0.000 1.146 115 F HN 0.639 8.939 8.300 0.000 0.000 0.447 116 T N -1.371 113.310 114.554 0.212 0.000 2.901 116 T HA 0.750 5.100 4.350 0.000 0.000 0.293 116 T C -0.928 173.877 174.700 0.175 0.000 1.084 116 T CA -0.940 61.268 62.100 0.179 0.000 1.008 116 T CB 1.892 70.855 68.868 0.159 0.000 1.170 116 T HN 0.547 8.787 8.240 0.000 0.000 0.509 117 S N 0.152 115.945 115.700 0.154 0.000 2.538 117 S HA 0.720 5.190 4.470 0.000 0.000 0.288 117 S C -1.463 173.211 174.600 0.123 0.000 1.108 117 S CA -0.580 57.695 58.200 0.125 0.000 0.971 117 S CB 1.149 64.410 63.200 0.102 0.000 1.041 117 S HN 0.806 9.116 8.310 0.000 0.000 0.483 118 V N 4.258 124.217 119.914 0.076 0.000 2.623 118 V HA 0.496 4.616 4.120 0.000 0.000 0.304 118 V C -1.336 174.775 176.094 0.027 0.000 1.054 118 V CA -0.880 61.449 62.300 0.047 0.000 0.882 118 V CB 2.097 33.925 31.823 0.009 0.000 1.002 118 V HN 0.829 9.019 8.190 0.000 0.000 0.424 119 D N 4.384 124.807 120.400 0.039 0.000 2.278 119 D HA 0.520 5.160 4.640 0.000 0.000 0.245 119 D C -0.630 175.675 176.300 0.009 0.000 1.052 119 D CA -0.291 53.723 54.000 0.024 0.000 0.834 119 D CB 2.363 43.191 40.800 0.047 0.000 1.194 119 D HN 0.225 8.595 8.370 0.000 0.000 0.481 120 L N 2.585 123.809 121.223 0.001 0.000 2.272 120 L HA 0.422 4.762 4.340 0.000 0.000 0.289 120 L C 0.540 177.417 176.870 0.011 0.000 1.032 120 L CA -0.343 54.499 54.840 0.004 0.000 0.810 120 L CB 1.112 43.176 42.059 0.008 0.000 1.205 120 L HN 0.445 8.675 8.230 0.000 0.000 0.422 121 T N -0.841 113.720 114.554 0.011 0.000 2.906 121 T HA 0.317 4.667 4.350 0.000 0.000 0.295 121 T C -0.160 174.548 174.700 0.014 0.000 1.075 121 T CA -0.894 61.215 62.100 0.015 0.000 1.005 121 T CB 2.352 71.229 68.868 0.016 0.000 1.136 121 T HN 0.411 8.651 8.240 0.000 0.000 0.498 122 N N 1.263 119.972 118.700 0.016 0.000 2.452 122 N HA 0.041 4.781 4.740 0.000 0.000 0.266 122 N C 1.015 176.533 175.510 0.012 0.000 1.175 122 N CA -0.113 52.946 53.050 0.015 0.000 0.945 122 N CB 1.355 39.852 38.487 0.016 0.000 1.063 122 N HN 0.867 9.247 8.380 0.000 0.000 0.472 123 K N 3.694 124.100 120.400 0.011 0.000 2.063 123 K HA -0.182 4.138 4.320 0.000 0.000 0.208 123 K C 1.486 178.091 176.600 0.009 0.000 1.048 123 K CA 1.636 57.928 56.287 0.009 0.000 0.928 123 K CB -0.032 32.473 32.500 0.007 0.000 0.713 123 K HN 0.625 8.875 8.250 0.000 0.000 0.442 124 A N 0.066 122.892 122.820 0.010 0.000 1.854 124 A HA -0.070 4.250 4.320 0.000 0.000 0.214 124 A C 2.079 179.668 177.584 0.009 0.000 1.192 124 A CA 1.917 53.960 52.037 0.009 0.000 0.611 124 A CB -0.663 18.343 19.000 0.009 0.000 0.832 124 A HN 0.417 8.567 8.150 0.000 0.000 0.442 125 T N -1.425 113.135 114.554 0.010 0.000 3.054 125 T HA 0.349 4.699 4.350 0.000 0.000 0.259 125 T C 1.484 176.191 174.700 0.011 0.000 1.092 125 T CA 1.089 63.195 62.100 0.010 0.000 1.121 125 T CB 0.113 68.987 68.868 0.011 0.000 0.912 125 T HN 1.423 9.663 8.240 0.000 0.000 0.489 126 G N 1.457 110.264 108.800 0.012 0.000 2.184 126 G HA2 -0.224 3.736 3.960 0.000 0.000 0.264 126 G HA3 -0.224 3.736 3.960 0.000 0.000 0.264 126 G C 0.307 175.215 174.900 0.014 0.000 0.975 126 G CA 0.522 45.630 45.100 0.013 0.000 0.642 126 G HN 0.928 9.218 8.290 0.000 0.000 0.536 127 K N 0.122 120.530 120.400 0.014 0.000 2.451 127 K HA 0.649 4.969 4.320 0.000 0.000 0.280 127 K C 0.530 177.139 176.600 0.017 0.000 1.020 127 K CA 0.118 56.413 56.287 0.015 0.000 1.008 127 K CB 0.560 33.069 32.500 0.015 0.000 0.917 127 K HN 1.036 9.286 8.250 0.000 0.000 0.478 128 L N 3.546 124.778 121.223 0.016 0.000 2.462 128 L HA 0.186 4.526 4.340 0.000 0.000 0.272 128 L C 1.237 178.120 176.870 0.022 0.000 1.166 128 L CA 0.039 54.889 54.840 0.016 0.000 0.880 128 L CB 0.117 42.183 42.059 0.012 0.000 1.142 128 L HN 0.794 9.024 8.230 0.000 0.000 0.473 129 I N 3.575 124.160 120.570 0.025 0.000 2.628 129 I HA 0.239 4.409 4.170 0.000 0.000 0.255 129 I C 0.724 176.870 176.117 0.048 0.000 1.119 129 I CA 0.694 62.019 61.300 0.042 0.000 1.448 129 I CB 0.067 38.094 38.000 0.045 0.000 1.133 129 I HN 0.737 8.947 8.210 0.000 0.000 0.438 130 A N 0.134 122.958 122.820 0.008 0.000 2.586 130 A HA 0.575 4.895 4.320 0.000 0.000 0.291 130 A C -1.387 176.151 177.584 -0.077 0.000 1.062 130 A CA -0.423 51.579 52.037 -0.058 0.000 0.666 130 A CB 1.501 20.439 19.000 -0.104 0.000 1.281 130 A HN 0.111 8.261 8.150 0.000 0.000 0.421 131 Q N 0.308 120.035 119.800 -0.122 0.000 2.305 131 Q HA 0.582 4.922 4.340 0.000 0.000 0.271 131 Q C -0.465 175.472 176.000 -0.104 0.000 1.046 131 Q CA -0.450 55.306 55.803 -0.079 0.000 0.798 131 Q CB 2.172 30.883 28.738 -0.045 0.000 1.286 131 Q HN 1.385 9.655 8.270 0.000 0.000 0.435 132 G N 2.796 111.558 108.800 -0.064 0.000 2.448 132 G HA2 0.664 4.624 3.960 0.000 0.000 0.324 132 G HA3 0.664 4.624 3.960 0.000 0.000 0.324 132 G C -1.156 173.753 174.900 0.015 0.000 1.203 132 G CA -0.547 44.522 45.100 -0.052 0.000 0.954 132 G HN 0.419 8.709 8.290 0.000 0.000 0.480 133 R N 0.614 121.141 120.500 0.046 0.000 2.534 133 R HA 0.444 4.784 4.340 0.000 0.000 0.301 133 R C -1.574 174.836 176.300 0.183 0.000 0.961 133 R CA -0.985 55.178 56.100 0.105 0.000 0.871 133 R CB 1.738 32.085 30.300 0.078 0.000 1.170 133 R HN 0.706 8.976 8.270 0.000 0.000 0.446 134 H N 0.214 119.329 119.070 0.076 0.000 2.667 134 H HA 0.459 5.015 4.556 0.000 0.000 0.353 134 H C -1.129 174.241 175.328 0.070 0.000 1.072 134 H CA -0.159 55.925 56.048 0.061 0.000 1.214 134 H CB 1.647 31.431 29.762 0.037 0.000 1.600 134 H HN 0.402 8.682 8.280 0.000 0.000 0.527 135 T N 5.626 120.083 114.554 -0.161 0.000 2.779 135 T HA 0.434 4.784 4.350 0.000 0.000 0.280 135 T C -0.407 174.002 174.700 -0.485 0.000 0.987 135 T CA -0.793 61.140 62.100 -0.279 0.000 0.966 135 T CB 0.608 69.433 68.868 -0.071 0.000 0.933 135 T HN 0.432 8.672 8.240 0.000 0.000 0.442 136 K N 1.553 121.662 120.400 -0.485 0.000 2.259 136 K HA 0.430 4.750 4.320 0.000 0.000 0.249 136 K C -1.024 175.460 176.600 -0.194 0.000 0.942 136 K CA -0.998 55.085 56.287 -0.341 0.000 0.816 136 K CB 1.594 33.912 32.500 -0.303 0.000 1.155 136 K HN 0.528 8.778 8.250 0.000 0.000 0.428 137 H N 2.731 121.680 119.070 -0.201 0.000 2.519 137 H HA 0.346 4.902 4.556 -0.000 0.000 0.316 137 H C -0.777 174.484 175.328 -0.112 0.000 1.065 137 H CA -0.340 55.620 56.048 -0.147 0.000 1.264 137 H CB 0.291 29.992 29.762 -0.101 0.000 1.413 137 H HN 0.371 8.651 8.280 0.000 0.000 0.465 138 L N 0.000 121.022 121.223 -0.335 0.000 2.949 138 L HA 0.000 4.340 4.340 0.000 0.000 0.249 138 L CA 0.000 54.667 54.840 -0.288 0.000 0.813 138 L CB 0.000 41.951 42.059 -0.180 0.000 0.961 138 L HN 0.000 8.230 8.230 0.000 0.000 0.502