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 2kn6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGRARDAILD ALENLTAEEL KKFKLKLLSV PLREGYGRIP RGALLSMDAL DATA SEQUENCE DLTDKLVSFY LETYGAELTA NVLRDMGLQE MAGQLQAATH QGSGAAPAGI DATA SEQUENCE QAPPQSAAKP GLHFIDQHRA ALIARVTNVE WLLDALYGKV LTDEQYQAVR DATA SEQUENCE AEPTNPSKMR KLFSFTPAWN WTCKDLLLQA LRESQSYLVE DLERS 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 M HA 0.000 4.484 4.480 0.007 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.305 55.300 0.009 0.000 0.988 1 M CB 0.000 32.606 32.600 0.009 0.000 1.302 2 G N 0.530 109.338 108.800 0.013 0.000 2.860 2 G HA2 -0.104 3.867 3.960 0.019 0.000 0.547 2 G HA3 -0.104 3.867 3.960 0.019 0.000 0.547 2 G C 0.610 175.519 174.900 0.015 0.000 1.103 2 G CA -0.454 44.656 45.100 0.017 0.000 1.126 2 G HN 0.306 8.603 8.290 0.012 0.000 0.490 3 R N 3.086 123.595 120.500 0.016 0.000 2.117 3 R HA -0.374 3.970 4.340 0.007 0.000 0.243 3 R C 0.682 176.990 176.300 0.013 0.000 1.143 3 R CA 2.467 58.574 56.100 0.012 0.000 0.968 3 R CB -0.114 30.195 30.300 0.014 0.000 0.863 3 R HN 0.240 8.521 8.270 0.018 0.000 0.444 4 A N -0.348 122.484 122.820 0.021 0.000 1.897 4 A HA -0.243 4.086 4.320 0.015 0.000 0.215 4 A C 1.816 179.409 177.584 0.015 0.000 1.181 4 A CA 2.413 54.462 52.037 0.020 0.000 0.620 4 A CB -0.726 18.293 19.000 0.030 0.000 0.821 4 A HN 0.400 8.552 8.150 0.026 0.013 0.443 5 R N -1.835 118.676 120.500 0.019 0.000 2.091 5 R HA -0.361 3.993 4.340 0.023 0.000 0.238 5 R C 1.700 178.004 176.300 0.006 0.000 1.136 5 R CA 3.438 59.549 56.100 0.018 0.000 0.959 5 R CB -0.374 29.938 30.300 0.020 0.000 0.856 5 R HN 0.119 8.324 8.270 0.021 0.077 0.437 6 D N -1.713 118.688 120.400 0.003 0.000 2.183 6 D HA -0.167 4.468 4.640 -0.007 0.000 0.203 6 D C 1.661 177.953 176.300 -0.015 0.000 0.969 6 D CA 2.864 56.861 54.000 -0.006 0.000 0.842 6 D CB -0.120 40.678 40.800 -0.004 0.000 0.957 6 D HN 0.059 8.352 8.370 0.006 0.081 0.484 7 A N 0.318 123.131 122.820 -0.012 0.000 1.865 7 A HA -0.282 4.023 4.320 -0.025 0.000 0.217 7 A C 2.121 179.681 177.584 -0.041 0.000 1.191 7 A CA 3.209 55.232 52.037 -0.023 0.000 0.623 7 A CB -0.698 18.293 19.000 -0.014 0.000 0.826 7 A HN -0.065 7.866 8.150 -0.004 0.216 0.444 8 I N -0.889 119.659 120.570 -0.037 0.000 2.127 8 I HA -0.519 3.595 4.170 -0.092 0.000 0.241 8 I C 1.447 177.519 176.117 -0.075 0.000 1.075 8 I CA 4.205 65.468 61.300 -0.062 0.000 1.334 8 I CB 0.090 38.074 38.000 -0.027 0.000 1.040 8 I HN -0.408 7.791 8.210 -0.019 0.000 0.405 9 L N 0.106 121.302 121.223 -0.045 0.000 2.021 9 L HA -0.423 3.889 4.340 -0.046 0.000 0.215 9 L C 1.607 178.444 176.870 -0.055 0.000 1.074 9 L CA 3.287 58.101 54.840 -0.043 0.000 0.760 9 L CB -0.533 41.512 42.059 -0.022 0.000 0.889 9 L HN -0.643 7.570 8.230 -0.028 0.000 0.433 10 D N -1.537 118.833 120.400 -0.050 0.000 2.084 10 D HA -0.361 4.254 4.640 -0.042 0.000 0.194 10 D C 1.735 177.993 176.300 -0.070 0.000 0.990 10 D CA 3.440 57.410 54.000 -0.049 0.000 0.826 10 D CB 0.156 40.932 40.800 -0.039 0.000 0.971 10 D HN -0.017 8.326 8.370 -0.042 0.002 0.453 11 A N -0.814 121.951 122.820 -0.091 0.000 1.858 11 A HA -0.382 3.881 4.320 -0.096 0.000 0.216 11 A C 2.086 179.576 177.584 -0.158 0.000 1.190 11 A CA 3.264 55.227 52.037 -0.122 0.000 0.617 11 A CB -0.180 18.729 19.000 -0.151 0.000 0.827 11 A HN -0.477 7.621 8.150 -0.086 0.000 0.443 12 L N -3.732 117.372 121.223 -0.198 0.000 2.017 12 L HA -0.497 3.678 4.340 -0.276 0.000 0.208 12 L C 2.820 179.620 176.870 -0.115 0.000 1.073 12 L CA 2.875 57.588 54.840 -0.212 0.000 0.745 12 L CB -0.534 41.397 42.059 -0.213 0.000 0.894 12 L HN -0.163 7.951 8.230 -0.194 0.000 0.432 13 E N -4.899 115.251 120.200 -0.084 0.000 2.333 13 E HA -0.251 4.072 4.350 -0.044 0.000 0.198 13 E C 0.896 177.468 176.600 -0.048 0.000 1.007 13 E CA 1.927 58.295 56.400 -0.052 0.000 0.845 13 E CB -0.699 28.977 29.700 -0.040 0.000 0.766 13 E HN -0.170 8.138 8.360 -0.087 0.000 0.507 14 N N -2.948 115.717 118.700 -0.059 0.000 2.415 14 N HA -0.057 4.662 4.740 -0.036 0.000 0.176 14 N C 0.434 175.918 175.510 -0.044 0.000 1.042 14 N CA 0.324 53.345 53.050 -0.047 0.000 0.902 14 N CB 0.806 39.263 38.487 -0.050 0.000 0.986 14 N HN -0.472 7.678 8.380 -0.076 0.184 0.447 15 L N -1.709 119.480 121.223 -0.056 0.000 2.452 15 L HA -0.093 4.342 4.340 -0.032 -0.114 0.267 15 L C 0.850 177.706 176.870 -0.023 0.000 1.188 15 L CA 0.023 54.838 54.840 -0.040 0.000 0.821 15 L CB 0.624 42.653 42.059 -0.051 0.000 1.102 15 L HN -0.596 7.474 8.230 -0.077 0.114 0.470 16 T N -1.725 112.822 114.554 -0.011 0.000 2.813 16 T HA 0.011 4.357 4.350 -0.007 0.000 0.297 16 T C 1.235 175.936 174.700 0.002 0.000 1.036 16 T CA -1.309 60.788 62.100 -0.004 0.000 1.044 16 T CB 1.956 70.824 68.868 -0.000 0.000 0.993 16 T HN -0.379 8.064 8.240 -0.008 -0.208 0.535 17 A N 2.418 125.240 122.820 0.003 0.000 1.892 17 A HA -0.329 3.996 4.320 0.008 0.000 0.218 17 A C 2.237 179.830 177.584 0.016 0.000 1.188 17 A CA 3.437 55.479 52.037 0.008 0.000 0.631 17 A CB -0.935 18.069 19.000 0.007 0.000 0.822 17 A HN 0.559 8.710 8.150 0.001 0.000 0.447 18 E N -2.332 117.876 120.200 0.014 0.000 2.072 18 E HA -0.285 4.076 4.350 0.019 0.000 0.191 18 E C 2.156 178.771 176.600 0.026 0.000 0.985 18 E CA 2.510 58.921 56.400 0.018 0.000 0.801 18 E CB -0.857 28.850 29.700 0.013 0.000 0.750 18 E HN 0.223 8.589 8.360 0.010 0.000 0.452 19 E N 0.842 121.056 120.200 0.023 0.000 2.160 19 E HA -0.299 4.072 4.350 0.035 0.000 0.195 19 E C 2.346 178.979 176.600 0.056 0.000 0.991 19 E CA 2.299 58.719 56.400 0.033 0.000 0.810 19 E CB 0.022 29.733 29.700 0.019 0.000 0.742 19 E HN -0.419 7.951 8.360 0.016 0.000 0.466 20 L N -0.871 120.380 121.223 0.047 0.000 2.046 20 L HA -0.349 4.038 4.340 0.078 0.000 0.208 20 L C 1.457 178.400 176.870 0.122 0.000 1.077 20 L CA 3.044 57.929 54.840 0.074 0.000 0.747 20 L CB -0.125 41.957 42.059 0.038 0.000 0.896 20 L HN 0.360 8.391 8.230 0.030 0.218 0.432 21 K N -1.659 118.787 120.400 0.077 0.000 2.103 21 K HA -0.453 3.908 4.320 0.068 0.000 0.207 21 K C 1.902 178.541 176.600 0.064 0.000 1.048 21 K CA 3.189 59.514 56.287 0.064 0.000 0.930 21 K CB -0.547 31.975 32.500 0.036 0.000 0.716 21 K HN -0.698 7.500 8.250 0.055 0.085 0.444 22 K N -1.896 118.546 120.400 0.069 0.000 2.063 22 K HA -0.332 4.002 4.320 0.023 0.000 0.208 22 K C 1.832 178.474 176.600 0.069 0.000 1.048 22 K CA 3.265 59.584 56.287 0.054 0.000 0.928 22 K CB -0.241 32.292 32.500 0.055 0.000 0.713 22 K HN -0.756 7.436 8.250 0.067 0.099 0.442 23 F N -0.991 118.950 119.950 -0.016 0.000 2.161 23 F HA -0.329 4.183 4.527 -0.026 0.000 0.300 23 F C 1.206 176.993 175.800 -0.021 0.000 1.089 23 F CA 3.417 61.404 58.000 -0.022 0.000 1.282 23 F CB -0.176 38.811 39.000 -0.022 0.000 1.010 23 F HN -0.709 7.645 8.300 0.251 0.097 0.485 24 K N -1.265 119.097 120.400 -0.063 0.000 1.985 24 K HA -0.370 3.802 4.320 -0.248 0.000 0.210 24 K C 2.309 178.797 176.600 -0.187 0.000 1.047 24 K CA 3.264 59.461 56.287 -0.149 0.000 0.932 24 K CB -0.336 32.159 32.500 -0.008 0.000 0.716 24 K HN -0.883 7.325 8.250 0.114 0.112 0.439 25 L N -1.562 119.597 121.223 -0.107 0.000 2.131 25 L HA -0.361 3.931 4.340 -0.081 0.000 0.210 25 L C 1.886 178.679 176.870 -0.128 0.000 1.092 25 L CA 2.968 57.754 54.840 -0.090 0.000 0.759 25 L CB -0.779 41.252 42.059 -0.047 0.000 0.903 25 L HN -0.464 7.730 8.230 -0.060 0.000 0.435 26 K N -2.094 118.202 120.400 -0.173 0.000 2.147 26 K HA -0.364 3.888 4.320 -0.113 0.000 0.205 26 K C 2.175 178.630 176.600 -0.243 0.000 1.049 26 K CA 3.145 59.322 56.287 -0.183 0.000 0.936 26 K CB -0.256 32.133 32.500 -0.185 0.000 0.722 26 K HN 0.159 8.201 8.250 -0.171 0.106 0.446 27 L N -1.216 119.794 121.223 -0.356 0.000 2.093 27 L HA -0.268 3.885 4.340 -0.312 0.000 0.208 27 L C 1.325 178.103 176.870 -0.154 0.000 1.085 27 L CA 2.976 57.630 54.840 -0.310 0.000 0.755 27 L CB -0.156 41.678 42.059 -0.375 0.000 0.904 27 L HN -0.481 7.361 8.230 -0.432 0.129 0.435 28 L N -5.617 115.533 121.223 -0.123 0.000 2.395 28 L HA -0.151 4.166 4.340 -0.038 0.000 0.218 28 L C 1.520 178.362 176.870 -0.048 0.000 1.130 28 L CA 1.440 56.243 54.840 -0.061 0.000 0.826 28 L CB -0.440 41.588 42.059 -0.052 0.000 0.941 28 L HN -0.737 7.314 8.230 -0.150 0.088 0.451 29 S N -3.059 112.602 115.700 -0.065 0.000 2.475 29 S HA 0.026 4.479 4.470 -0.028 0.000 0.224 29 S C 0.458 175.035 174.600 -0.039 0.000 1.042 29 S CA 0.733 58.907 58.200 -0.043 0.000 0.935 29 S CB 1.571 64.744 63.200 -0.045 0.000 0.801 29 S HN -0.357 7.720 8.310 -0.095 0.176 0.509 30 V N 5.164 125.042 119.914 -0.060 0.000 2.521 30 V HA 0.097 4.197 4.120 -0.035 0.000 0.286 30 V C -2.210 173.871 176.094 -0.021 0.000 1.034 30 V CA -2.731 59.540 62.300 -0.048 0.000 1.045 30 V CB 0.722 32.497 31.823 -0.080 0.000 0.974 30 V HN -0.055 7.974 8.190 -0.090 0.107 0.480 31 P HA 0.066 4.505 4.420 0.031 0.000 0.268 31 P C -1.390 175.936 177.300 0.043 0.000 1.204 31 P CA -0.233 62.883 63.100 0.026 0.000 0.768 31 P CB 0.466 32.184 31.700 0.029 0.000 0.842 32 L N 2.863 124.134 121.223 0.080 0.000 2.387 32 L HA 0.116 4.521 4.340 0.107 0.000 0.266 32 L C 1.256 178.219 176.870 0.155 0.000 1.059 32 L CA -0.818 54.102 54.840 0.133 0.000 0.801 32 L CB 0.702 42.886 42.059 0.208 0.000 1.223 32 L HN -0.304 7.976 8.230 0.083 0.000 0.456 33 R N 1.717 122.342 120.500 0.208 0.000 2.213 33 R HA -0.210 4.212 4.340 0.137 0.000 0.198 33 R C 1.413 177.813 176.300 0.166 0.000 1.047 33 R CA 1.188 57.400 56.100 0.187 0.000 0.951 33 R CB -0.469 29.973 30.300 0.237 0.000 0.730 33 R HN 0.715 9.135 8.270 0.251 0.000 0.493 34 E N -0.518 119.794 120.200 0.187 0.000 1.996 34 E HA -0.161 4.216 4.350 0.046 0.000 0.197 34 E C 0.445 177.102 176.600 0.095 0.000 1.002 34 E CA 1.378 57.823 56.400 0.075 0.000 0.840 34 E CB 0.501 30.161 29.700 -0.066 0.000 0.786 34 E HN 0.222 8.742 8.360 0.267 0.000 0.469 35 G N -4.618 104.273 108.800 0.152 0.000 4.142 35 G HA2 -0.007 4.068 3.960 0.193 0.000 0.200 35 G HA3 -0.007 4.008 3.960 0.092 0.000 0.200 35 G C -1.276 173.792 174.900 0.280 0.000 0.811 35 G CA -0.364 44.838 45.100 0.171 0.000 0.855 35 G HN -0.309 8.099 8.290 0.197 0.000 0.455 36 Y N -1.062 119.306 120.300 0.113 0.000 2.578 36 Y HA -0.564 3.997 4.550 0.019 0.000 0.488 36 Y C 0.215 176.269 175.900 0.256 0.000 0.909 36 Y CA 2.291 60.471 58.100 0.135 0.000 3.342 36 Y CB -0.567 38.025 38.460 0.220 0.000 0.890 36 Y HN -0.321 7.891 8.280 -0.113 0.000 0.577 37 G N -3.804 105.335 108.800 0.565 0.000 1.932 37 G HA2 -0.062 4.033 3.960 0.226 0.000 0.260 37 G HA3 -0.062 4.138 3.960 0.400 0.000 0.260 37 G C -2.185 172.833 174.900 0.195 0.000 1.708 37 G CA -0.454 44.858 45.100 0.353 0.000 0.912 37 G HN -0.661 8.028 8.290 0.665 0.000 0.710 38 R N 1.987 122.559 120.500 0.120 0.000 2.370 38 R HA -0.028 4.400 4.340 0.147 0.000 0.309 38 R C 0.384 176.641 176.300 -0.071 0.000 1.059 38 R CA -0.327 55.810 56.100 0.062 0.000 0.981 38 R CB 0.766 31.095 30.300 0.048 0.000 0.972 38 R HN 0.054 8.395 8.270 0.118 0.000 0.437 39 I N 7.146 127.637 120.570 -0.132 0.000 2.598 39 I HA -0.031 3.979 4.170 -0.266 0.000 0.284 39 I C -1.142 174.919 176.117 -0.093 0.000 1.140 39 I CA -2.148 59.036 61.300 -0.192 0.000 1.420 39 I CB -0.282 37.601 38.000 -0.194 0.000 1.387 39 I HN 0.229 8.410 8.210 -0.048 0.000 0.553 40 P HA -0.004 4.392 4.420 -0.040 0.000 0.266 40 P C 0.054 177.331 177.300 -0.039 0.000 1.195 40 P CA -0.502 62.569 63.100 -0.047 0.000 0.768 40 P CB 0.701 32.378 31.700 -0.039 0.000 0.838 41 R N 4.030 124.511 120.500 -0.032 0.000 2.103 41 R HA -0.400 3.923 4.340 -0.028 0.000 0.242 41 R C 2.106 178.398 176.300 -0.014 0.000 1.142 41 R CA 3.641 59.727 56.100 -0.024 0.000 0.960 41 R CB -0.879 29.408 30.300 -0.022 0.000 0.858 41 R HN 0.406 8.658 8.270 -0.030 0.000 0.439 42 G N -1.918 106.873 108.800 -0.014 0.000 2.440 42 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.218 42 G HA3 -0.270 3.684 3.960 -0.009 0.000 0.218 42 G C 1.116 176.011 174.900 -0.008 0.000 1.154 42 G CA 1.584 46.679 45.100 -0.008 0.000 0.767 42 G HN 0.389 8.666 8.290 -0.016 0.003 0.552 43 A N 1.534 124.344 122.820 -0.016 0.000 1.933 43 A HA -0.171 4.142 4.320 -0.013 0.000 0.218 43 A C 2.242 179.823 177.584 -0.006 0.000 1.175 43 A CA 2.712 54.739 52.037 -0.017 0.000 0.628 43 A CB -0.777 18.200 19.000 -0.038 0.000 0.814 43 A HN -0.581 7.460 8.150 -0.023 0.094 0.444 44 L N -2.473 118.749 121.223 -0.001 0.000 2.131 44 L HA -0.331 4.027 4.340 0.029 0.000 0.206 44 L C 2.493 179.379 176.870 0.027 0.000 1.087 44 L CA 2.440 57.293 54.840 0.022 0.000 0.767 44 L CB -0.107 41.970 42.059 0.030 0.000 0.917 44 L HN -0.803 7.307 8.230 -0.010 0.114 0.441 45 L N -2.684 118.550 121.223 0.018 0.000 2.131 45 L HA -0.321 4.034 4.340 0.025 0.000 0.210 45 L C 1.581 178.460 176.870 0.015 0.000 1.092 45 L CA 2.528 57.379 54.840 0.018 0.000 0.759 45 L CB -0.145 41.921 42.059 0.011 0.000 0.903 45 L HN 0.175 8.333 8.230 0.010 0.078 0.435 46 S N -2.081 113.625 115.700 0.011 0.000 2.371 46 S HA -0.182 4.293 4.470 0.008 0.000 0.224 46 S C 0.502 175.110 174.600 0.013 0.000 1.029 46 S CA 1.934 60.140 58.200 0.009 0.000 0.978 46 S CB 0.694 63.897 63.200 0.005 0.000 0.833 46 S HN -0.425 7.783 8.310 0.008 0.107 0.466 47 M N 0.256 119.867 119.600 0.017 0.000 2.228 47 M HA -0.047 4.444 4.480 0.019 0.000 0.326 47 M C -1.481 174.835 176.300 0.026 0.000 1.122 47 M CA 0.729 56.042 55.300 0.023 0.000 1.161 47 M CB 0.946 33.563 32.600 0.029 0.000 1.437 47 M HN -0.664 7.566 8.290 0.016 0.070 0.465 48 D N -3.224 117.191 120.400 0.025 0.000 2.592 48 D HA 0.168 4.822 4.640 0.023 0.000 0.259 48 D C 0.701 177.015 176.300 0.024 0.000 1.144 48 D CA -1.405 52.608 54.000 0.022 0.000 1.080 48 D CB 1.126 41.934 40.800 0.014 0.000 1.225 48 D HN -0.117 8.267 8.370 0.023 0.000 0.619 49 A N -1.339 121.489 122.820 0.014 0.000 1.917 49 A HA -0.331 3.992 4.320 0.005 0.000 0.219 49 A C 1.524 179.113 177.584 0.008 0.000 1.182 49 A CA 3.282 55.321 52.037 0.004 0.000 0.633 49 A CB -0.086 18.906 19.000 -0.013 0.000 0.819 49 A HN 0.503 8.659 8.150 0.010 0.000 0.448 50 L N -2.554 118.675 121.223 0.009 0.000 2.023 50 L HA -0.340 4.006 4.340 0.010 0.000 0.205 50 L C 1.387 178.270 176.870 0.023 0.000 1.073 50 L CA 3.443 58.290 54.840 0.013 0.000 0.745 50 L CB -0.358 41.707 42.059 0.010 0.000 0.900 50 L HN -0.226 8.131 8.230 0.008 -0.122 0.435 51 D N -0.501 119.913 120.400 0.024 0.000 2.104 51 D HA -0.324 4.333 4.640 0.028 0.000 0.194 51 D C 2.763 179.087 176.300 0.041 0.000 0.994 51 D CA 3.723 57.740 54.000 0.029 0.000 0.830 51 D CB -0.426 40.389 40.800 0.024 0.000 0.959 51 D HN 0.247 9.074 8.370 0.020 -0.445 0.452 52 L N -3.642 117.609 121.223 0.046 0.000 2.141 52 L HA 0.050 4.432 4.340 0.070 0.000 0.209 52 L C 1.679 178.598 176.870 0.082 0.000 1.094 52 L CA 3.121 58.002 54.840 0.070 0.000 0.763 52 L CB -0.887 41.220 42.059 0.081 0.000 0.908 52 L HN 0.356 8.493 8.230 0.039 0.116 0.437 53 T N 2.523 117.111 114.554 0.057 0.000 2.708 53 T HA -0.443 3.945 4.350 0.063 0.000 0.266 53 T C 1.703 176.444 174.700 0.068 0.000 1.037 53 T CA 5.464 67.597 62.100 0.054 0.000 1.146 53 T CB -0.817 68.066 68.868 0.024 0.000 0.865 53 T HN -0.133 7.922 8.240 0.042 0.210 0.435 54 D N 0.016 120.450 120.400 0.057 0.000 2.178 54 D HA -0.290 4.383 4.640 0.056 0.000 0.201 54 D C 1.987 178.335 176.300 0.080 0.000 0.980 54 D CA 3.274 57.309 54.000 0.059 0.000 0.842 54 D CB 0.239 41.065 40.800 0.044 0.000 0.948 54 D HN -0.151 8.247 8.370 0.046 0.000 0.472 55 K N -0.031 120.423 120.400 0.089 0.000 2.031 55 K HA -0.148 4.234 4.320 0.102 0.000 0.205 55 K C 2.523 179.228 176.600 0.174 0.000 1.049 55 K CA 2.142 58.496 56.287 0.111 0.000 0.939 55 K CB -0.190 32.361 32.500 0.084 0.000 0.717 55 K HN -0.687 7.479 8.250 0.080 0.132 0.438 56 L N -1.231 120.117 121.223 0.207 0.000 2.129 56 L HA -0.360 4.278 4.340 0.497 0.000 0.212 56 L C 2.817 179.848 176.870 0.268 0.000 1.087 56 L CA 3.036 58.069 54.840 0.322 0.000 0.757 56 L CB -0.295 41.922 42.059 0.263 0.000 0.896 56 L HN 0.197 8.528 8.230 0.169 0.000 0.434 57 V N -0.950 119.066 119.914 0.170 0.000 2.453 57 V HA -0.380 3.924 4.120 0.135 -0.103 0.247 57 V C 1.534 177.695 176.094 0.111 0.000 1.048 57 V CA 3.383 65.759 62.300 0.127 0.000 1.049 57 V CB -0.289 31.585 31.823 0.086 0.000 0.672 57 V HN -0.481 7.687 8.190 0.145 0.108 0.457 58 S N 0.184 115.950 115.700 0.110 0.000 2.345 58 S HA -0.258 4.245 4.470 0.054 0.000 0.219 58 S C 1.675 176.317 174.600 0.071 0.000 1.031 58 S CA 3.160 61.409 58.200 0.082 0.000 0.984 58 S CB 0.133 63.385 63.200 0.086 0.000 0.874 58 S HN -0.536 7.748 8.310 0.120 0.097 0.451 59 F N 0.647 120.558 119.950 -0.065 0.000 2.149 59 F HA -0.155 4.278 4.527 -0.157 0.000 0.294 59 F C 0.391 176.016 175.800 -0.292 0.000 1.095 59 F CA 2.394 60.265 58.000 -0.216 0.000 1.276 59 F CB 1.266 40.048 39.000 -0.362 0.000 1.023 59 F HN 0.121 8.560 8.300 0.233 0.000 0.480 60 Y N -3.047 117.388 120.300 0.224 0.000 2.532 60 Y HA 0.008 4.513 4.550 -0.075 0.000 0.283 60 Y C -1.436 174.512 175.900 0.080 0.000 1.181 60 Y CA -0.179 57.984 58.100 0.107 0.000 1.256 60 Y CB -0.833 37.754 38.460 0.212 0.000 1.112 60 Y HN -0.703 7.665 8.280 0.296 0.089 0.521 61 L N -5.199 116.105 121.223 0.134 0.000 0.587 61 L HA -0.514 3.964 4.340 0.065 -0.099 0.356 61 L C 0.709 177.663 176.870 0.139 0.000 0.984 61 L CA -0.001 54.903 54.840 0.107 0.000 1.223 61 L CB -0.499 41.613 42.059 0.089 0.000 0.012 61 L HN -0.946 7.239 8.230 0.069 0.087 0.092 62 E N -0.256 120.003 120.200 0.098 0.000 2.015 62 E HA -0.365 4.038 4.350 0.088 0.000 0.191 62 E C 1.983 178.632 176.600 0.083 0.000 0.991 62 E CA 3.581 60.032 56.400 0.084 0.000 0.802 62 E CB 0.041 29.777 29.700 0.059 0.000 0.759 62 E HN 0.488 8.894 8.360 0.077 0.000 0.447 63 T N 1.183 115.787 114.554 0.082 0.000 2.732 63 T HA -0.242 4.133 4.350 0.042 0.000 0.261 63 T C 1.579 176.326 174.700 0.078 0.000 1.040 63 T CA 3.474 65.613 62.100 0.066 0.000 1.145 63 T CB -0.308 68.594 68.868 0.058 0.000 0.866 63 T HN -0.181 8.107 8.240 0.080 0.000 0.427 64 Y N 1.877 122.179 120.300 0.005 0.000 2.384 64 Y HA -0.099 4.650 4.550 -0.020 -0.211 0.289 64 Y C 1.896 177.794 175.900 -0.004 0.000 1.152 64 Y CA 2.335 60.429 58.100 -0.010 0.000 1.258 64 Y CB -0.294 38.153 38.460 -0.022 0.000 0.979 64 Y HN 0.138 8.559 8.280 0.235 0.000 0.549 65 G N -1.924 106.946 108.800 0.117 0.000 2.394 65 G HA2 -0.429 3.574 3.960 0.072 0.000 0.214 65 G HA3 -0.429 3.719 3.960 0.161 -0.091 0.214 65 G C 0.242 175.124 174.900 -0.030 0.000 1.176 65 G CA 1.414 46.563 45.100 0.081 0.000 0.786 65 G HN -0.510 7.845 8.290 0.172 0.038 0.533 66 A N 1.323 124.131 122.820 -0.019 0.000 1.930 66 A HA -0.357 3.944 4.320 -0.031 0.000 0.217 66 A C 1.757 179.288 177.584 -0.089 0.000 1.175 66 A CA 2.737 54.750 52.037 -0.039 0.000 0.627 66 A CB -0.444 18.545 19.000 -0.018 0.000 0.815 66 A HN -0.542 7.616 8.150 0.014 0.000 0.443 67 E N -0.717 119.399 120.200 -0.139 0.000 2.031 67 E HA -0.397 3.882 4.350 -0.120 0.000 0.193 67 E C 2.316 178.768 176.600 -0.247 0.000 0.994 67 E CA 3.148 59.436 56.400 -0.188 0.000 0.800 67 E CB -0.098 29.457 29.700 -0.242 0.000 0.752 67 E HN -0.111 8.175 8.360 -0.124 0.000 0.447 68 L N -1.570 119.418 121.223 -0.392 0.000 2.079 68 L HA -0.273 3.857 4.340 -0.350 0.000 0.210 68 L C 1.595 178.370 176.870 -0.157 0.000 1.081 68 L CA 3.130 57.757 54.840 -0.355 0.000 0.752 68 L CB -0.250 41.519 42.059 -0.484 0.000 0.896 68 L HN -0.478 7.452 8.230 -0.500 0.000 0.433 69 T N 1.237 115.742 114.554 -0.081 0.000 2.770 69 T HA -0.395 4.078 4.350 0.206 0.000 0.263 69 T C 1.626 176.336 174.700 0.015 0.000 1.039 69 T CA 4.971 67.106 62.100 0.059 0.000 1.142 69 T CB -0.511 68.377 68.868 0.033 0.000 0.868 69 T HN -0.558 7.505 8.240 -0.117 0.106 0.435 70 A N 0.706 123.504 122.820 -0.037 0.000 1.986 70 A HA -0.443 3.859 4.320 -0.029 0.000 0.220 70 A C 1.681 179.251 177.584 -0.024 0.000 1.171 70 A CA 3.317 55.334 52.037 -0.033 0.000 0.640 70 A CB -0.757 18.217 19.000 -0.043 0.000 0.811 70 A HN 0.413 8.527 8.150 -0.060 0.000 0.451 71 N N -2.937 115.741 118.700 -0.036 0.000 2.250 71 N HA -0.203 4.521 4.740 -0.027 0.000 0.181 71 N C 2.041 177.548 175.510 -0.005 0.000 1.017 71 N CA 2.813 55.844 53.050 -0.031 0.000 0.866 71 N CB -0.275 38.177 38.487 -0.058 0.000 0.985 71 N HN -0.582 7.734 8.380 -0.059 0.028 0.429 72 V N 1.085 121.014 119.914 0.025 0.000 2.270 72 V HA -0.389 3.743 4.120 0.021 0.000 0.245 72 V C 1.691 177.833 176.094 0.080 0.000 1.043 72 V CA 3.662 66.001 62.300 0.066 0.000 1.014 72 V CB -0.405 31.519 31.823 0.168 0.000 0.645 72 V HN -0.378 7.725 8.190 0.027 0.103 0.447 73 L N -2.925 118.347 121.223 0.081 0.000 2.127 73 L HA -0.372 4.002 4.340 0.057 0.000 0.211 73 L C 2.104 178.985 176.870 0.019 0.000 1.089 73 L CA 3.002 57.866 54.840 0.040 0.000 0.757 73 L CB -1.135 40.922 42.059 -0.003 0.000 0.899 73 L HN -0.202 8.082 8.230 0.090 0.000 0.434 74 R N -1.631 118.875 120.500 0.011 0.000 2.120 74 R HA -0.422 3.917 4.340 -0.001 0.000 0.234 74 R C 1.829 178.132 176.300 0.006 0.000 1.123 74 R CA 3.367 59.468 56.100 0.002 0.000 0.975 74 R CB -0.329 29.969 30.300 -0.004 0.000 0.866 74 R HN -0.539 7.637 8.270 0.011 0.100 0.446 75 D N -1.301 119.106 120.400 0.011 0.000 2.224 75 D HA -0.162 4.481 4.640 0.005 0.000 0.205 75 D C 1.587 177.896 176.300 0.014 0.000 0.965 75 D CA 2.327 56.332 54.000 0.009 0.000 0.852 75 D CB 0.079 40.883 40.800 0.007 0.000 0.947 75 D HN -0.292 7.951 8.370 0.015 0.137 0.494 76 M N -2.815 116.799 119.600 0.024 0.000 2.619 76 M HA -0.025 4.469 4.480 0.023 0.000 0.251 76 M C 0.505 176.813 176.300 0.013 0.000 1.106 76 M CA 0.805 56.120 55.300 0.025 0.000 1.086 76 M CB 0.635 33.258 32.600 0.039 0.000 1.465 76 M HN -0.425 7.746 8.290 0.031 0.137 0.506 77 G N -2.918 105.888 108.800 0.009 0.000 2.157 77 G HA2 -0.318 3.643 3.960 0.002 0.000 0.248 77 G HA3 -0.318 3.644 3.960 0.004 0.000 0.248 77 G C 0.111 175.011 174.900 0.000 0.000 0.979 77 G CA 0.488 45.590 45.100 0.004 0.000 0.650 77 G HN -0.527 7.570 8.290 0.010 0.199 0.529 78 L N 0.985 122.208 121.223 0.000 0.000 2.796 78 L HA 0.177 4.512 4.340 -0.008 0.000 0.235 78 L C -0.361 176.503 176.870 -0.010 0.000 1.344 78 L CA -1.893 52.943 54.840 -0.007 0.000 1.245 78 L CB -2.593 39.459 42.059 -0.011 0.000 1.556 78 L HN -0.205 7.966 8.230 0.005 0.062 0.423 79 Q N 0.605 120.401 119.800 -0.007 0.000 2.226 79 Q HA -0.469 3.866 4.340 -0.008 0.000 0.204 79 Q C 2.005 177.998 176.000 -0.011 0.000 0.975 79 Q CA 4.004 59.802 55.803 -0.008 0.000 0.866 79 Q CB 0.025 28.759 28.738 -0.006 0.000 0.915 79 Q HN -0.346 7.836 8.270 -0.005 0.085 0.440 80 E N 0.221 120.414 120.200 -0.012 0.000 2.028 80 E HA -0.244 4.099 4.350 -0.012 0.000 0.191 80 E C 2.293 178.882 176.600 -0.018 0.000 0.988 80 E CA 3.051 59.443 56.400 -0.014 0.000 0.799 80 E CB -0.533 29.159 29.700 -0.013 0.000 0.755 80 E HN 0.355 8.680 8.360 -0.011 0.028 0.447 81 M N -1.536 118.051 119.600 -0.022 0.000 2.229 81 M HA -0.325 4.137 4.480 -0.030 0.000 0.264 81 M C 2.043 178.325 176.300 -0.032 0.000 1.063 81 M CA 3.172 58.453 55.300 -0.031 0.000 1.114 81 M CB -0.214 32.362 32.600 -0.041 0.000 1.387 81 M HN -0.216 8.061 8.290 -0.021 0.000 0.420 82 A N -0.441 122.364 122.820 -0.026 0.000 1.873 82 A HA -0.317 3.985 4.320 -0.030 0.000 0.215 82 A C 1.682 179.255 177.584 -0.020 0.000 1.186 82 A CA 3.225 55.248 52.037 -0.024 0.000 0.616 82 A CB -0.912 18.078 19.000 -0.017 0.000 0.823 82 A HN 0.307 8.343 8.150 -0.022 0.100 0.442 83 G N -2.948 105.843 108.800 -0.015 0.000 2.448 83 G HA2 -0.376 3.579 3.960 -0.009 0.000 0.219 83 G HA3 -0.376 3.578 3.960 -0.010 0.000 0.219 83 G C 1.334 176.227 174.900 -0.011 0.000 1.127 83 G CA 1.639 46.733 45.100 -0.011 0.000 0.766 83 G HN 0.205 8.377 8.290 -0.015 0.110 0.552 84 Q N 1.769 121.559 119.800 -0.016 0.000 2.137 84 Q HA -0.162 4.170 4.340 -0.013 0.000 0.198 84 Q C 1.931 177.922 176.000 -0.016 0.000 0.960 84 Q CA 2.420 58.214 55.803 -0.016 0.000 0.847 84 Q CB 0.053 28.779 28.738 -0.020 0.000 0.915 84 Q HN -0.561 7.579 8.270 -0.018 0.119 0.448 85 L N 1.029 122.239 121.223 -0.022 0.000 1.994 85 L HA -0.412 3.913 4.340 -0.025 0.000 0.208 85 L C 1.733 178.596 176.870 -0.011 0.000 1.071 85 L CA 3.733 58.558 54.840 -0.024 0.000 0.745 85 L CB -0.031 42.005 42.059 -0.039 0.000 0.892 85 L HN 0.173 8.199 8.230 -0.026 0.189 0.431 86 Q N -2.320 117.474 119.800 -0.009 0.000 2.096 86 Q HA -0.430 3.911 4.340 0.002 0.000 0.204 86 Q C 2.560 178.577 176.000 0.028 0.000 0.982 86 Q CA 3.001 58.807 55.803 0.005 0.000 0.850 86 Q CB -0.151 28.588 28.738 0.002 0.000 0.901 86 Q HN -0.272 7.989 8.270 -0.015 0.000 0.422 87 A N -1.014 121.815 122.820 0.016 0.000 1.930 87 A HA -0.162 4.359 4.320 0.027 -0.185 0.217 87 A C 2.395 179.987 177.584 0.014 0.000 1.175 87 A CA 2.278 54.325 52.037 0.015 0.000 0.627 87 A CB -0.689 18.310 19.000 -0.002 0.000 0.815 87 A HN -0.558 7.589 8.150 0.004 0.006 0.443 88 A N -1.074 121.750 122.820 0.008 0.000 1.940 88 A HA -0.238 4.081 4.320 -0.001 0.000 0.219 88 A C 1.824 179.424 177.584 0.027 0.000 1.176 88 A CA 2.626 54.667 52.037 0.007 0.000 0.631 88 A CB -0.469 18.530 19.000 -0.002 0.000 0.814 88 A HN 0.150 8.114 8.150 0.002 0.187 0.446 89 T N -6.715 107.866 114.554 0.046 0.000 3.067 89 T HA -0.174 4.214 4.350 0.063 0.000 0.261 89 T C -0.691 174.112 174.700 0.173 0.000 1.110 89 T CA 1.231 63.377 62.100 0.077 0.000 1.113 89 T CB 0.916 69.816 68.868 0.054 0.000 0.917 89 T HN -0.663 7.496 8.240 0.037 0.103 0.499 90 H N 0.620 119.687 119.070 -0.005 0.000 3.124 90 H HA 0.160 4.716 4.556 -0.001 0.000 0.328 90 H C 0.100 175.426 175.328 -0.005 0.000 1.478 90 H CA -0.495 55.551 56.048 -0.003 0.000 1.627 90 H CB 1.740 31.502 29.762 -0.001 0.000 2.050 90 H HN -0.427 7.727 8.280 0.108 0.191 0.641 91 Q N 7.110 126.824 119.800 -0.142 0.000 2.077 91 Q HA -0.303 4.058 4.340 -0.053 -0.053 0.206 91 Q C 0.075 175.999 176.000 -0.127 0.000 0.989 91 Q CA 2.030 57.768 55.803 -0.109 0.000 0.853 91 Q CB 0.233 28.906 28.738 -0.108 0.000 0.907 91 Q HN 0.336 8.516 8.270 -0.151 0.000 0.418 92 G N -0.128 108.518 108.800 -0.256 0.000 2.434 92 G HA2 -0.217 3.620 3.960 -0.206 0.000 0.224 92 G HA3 -0.217 3.713 3.960 -0.050 0.000 0.224 92 G C -0.593 174.261 174.900 -0.076 0.000 0.807 92 G CA -0.535 44.475 45.100 -0.151 0.000 1.113 92 G HN -0.040 7.988 8.290 -0.437 0.000 0.327 93 S N 3.195 118.849 115.700 -0.077 0.000 2.634 93 S HA -0.143 4.302 4.470 -0.042 0.000 0.254 93 S C 1.270 175.855 174.600 -0.025 0.000 1.299 93 S CA 0.052 58.225 58.200 -0.045 0.000 0.974 93 S CB 0.697 63.871 63.200 -0.044 0.000 1.001 93 S HN 0.054 8.303 8.310 -0.101 0.000 0.584 94 G N -1.102 107.688 108.800 -0.017 0.000 2.189 94 G HA2 -0.261 3.694 3.960 -0.009 0.000 0.267 94 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.267 94 G C -1.073 173.824 174.900 -0.006 0.000 0.975 94 G CA 0.359 45.454 45.100 -0.009 0.000 0.644 94 G HN 0.184 8.462 8.290 -0.019 0.000 0.537 95 A N 1.286 124.101 122.820 -0.008 0.000 2.491 95 A HA -0.022 4.298 4.320 0.000 0.000 0.261 95 A C -0.200 177.381 177.584 -0.004 0.000 1.101 95 A CA 0.211 52.246 52.037 -0.004 0.000 0.772 95 A CB 0.255 19.252 19.000 -0.005 0.000 1.043 95 A HN -0.302 7.737 8.150 -0.013 0.103 0.501 96 A N 4.864 127.682 122.820 -0.002 0.000 2.406 96 A HA 0.185 4.502 4.320 -0.004 0.000 0.243 96 A C -0.328 177.254 177.584 -0.003 0.000 1.082 96 A CA -1.679 50.356 52.037 -0.003 0.000 0.786 96 A CB -0.794 18.205 19.000 -0.002 0.000 1.029 96 A HN 0.152 8.302 8.150 -0.000 0.000 0.495 97 P HA -0.177 4.240 4.420 -0.005 0.000 0.210 97 P C -0.719 176.579 177.300 -0.004 0.000 1.189 97 P CA 0.780 63.878 63.100 -0.004 0.000 0.920 97 P CB 0.432 32.129 31.700 -0.004 0.000 0.782 98 A N -2.037 120.781 122.820 -0.003 0.000 2.512 98 A HA 0.233 4.551 4.320 -0.002 0.000 0.294 98 A C -1.123 176.460 177.584 -0.002 0.000 1.054 98 A CA 0.366 52.402 52.037 -0.002 0.000 0.756 98 A CB 1.004 20.002 19.000 -0.003 0.000 1.293 98 A HN -0.350 7.798 8.150 -0.003 0.000 0.395 99 G N 1.568 110.367 108.800 -0.002 0.000 3.990 99 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.213 99 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.213 99 G C 0.062 174.961 174.900 -0.001 0.000 0.849 99 G CA 0.154 45.253 45.100 -0.001 0.000 0.857 99 G HN 0.111 8.401 8.290 -0.001 0.000 0.484 100 I N 0.716 121.286 120.570 -0.001 0.000 2.546 100 I HA -0.069 4.100 4.170 -0.000 0.000 0.255 100 I C 0.295 176.411 176.117 -0.001 0.000 1.163 100 I CA -0.114 61.185 61.300 -0.000 0.000 1.457 100 I CB -0.471 37.529 38.000 0.001 0.000 1.092 100 I HN -0.282 7.927 8.210 -0.001 0.000 0.434 101 Q N -2.469 117.330 119.800 -0.001 0.000 0.461 101 Q HA -0.263 4.076 4.340 -0.002 0.000 0.354 101 Q C -1.436 174.564 176.000 -0.002 0.000 1.083 101 Q CA 0.366 56.168 55.803 -0.002 0.000 0.268 101 Q CB 0.146 28.883 28.738 -0.002 0.000 5.584 101 Q HN -0.313 7.932 8.270 -0.001 0.025 0.327 102 A N 0.666 123.485 122.820 -0.002 0.000 2.371 102 A HA 0.285 4.604 4.320 -0.002 0.000 0.257 102 A C -1.784 175.798 177.584 -0.003 0.000 1.089 102 A CA -1.343 50.693 52.037 -0.002 0.000 0.794 102 A CB -0.238 18.760 19.000 -0.003 0.000 1.029 102 A HN 0.169 8.318 8.150 -0.002 0.000 0.488 103 P HA 0.127 4.545 4.420 -0.003 0.000 0.271 103 P C -2.068 175.229 177.300 -0.005 0.000 1.238 103 P CA -1.259 61.839 63.100 -0.003 0.000 0.794 103 P CB -0.787 30.910 31.700 -0.003 0.000 0.959 104 P HA -0.012 4.404 4.420 -0.007 0.000 0.269 104 P C 0.666 177.961 177.300 -0.008 0.000 1.209 104 P CA -0.270 62.826 63.100 -0.008 0.000 0.776 104 P CB 0.573 32.267 31.700 -0.010 0.000 0.876 105 Q N 0.284 120.079 119.800 -0.008 0.000 2.291 105 Q HA -0.249 4.087 4.340 -0.006 0.000 0.206 105 Q C -0.272 175.721 176.000 -0.012 0.000 0.976 105 Q CA 1.459 57.257 55.803 -0.008 0.000 0.875 105 Q CB -0.037 28.696 28.738 -0.008 0.000 0.927 105 Q HN 0.307 8.572 8.270 -0.008 0.000 0.450 106 S N 0.416 116.107 115.700 -0.016 0.000 2.465 106 S HA -0.090 4.366 4.470 -0.024 0.000 0.280 106 S C -1.234 173.356 174.600 -0.018 0.000 1.232 106 S CA -0.033 58.154 58.200 -0.021 0.000 1.066 106 S CB 0.089 63.274 63.200 -0.025 0.000 0.929 106 S HN -0.431 7.829 8.310 -0.015 0.042 0.494 107 A N 5.950 128.760 122.820 -0.017 0.000 2.496 107 A HA -0.088 4.225 4.320 -0.010 0.000 0.278 107 A C -0.708 176.867 177.584 -0.016 0.000 1.137 107 A CA 0.079 52.108 52.037 -0.014 0.000 0.805 107 A CB 0.163 19.156 19.000 -0.011 0.000 1.077 107 A HN 0.384 8.523 8.150 -0.020 0.000 0.513 108 A N 4.369 127.179 122.820 -0.015 0.000 2.496 108 A HA -0.082 4.226 4.320 -0.021 0.000 0.278 108 A C -0.538 177.034 177.584 -0.020 0.000 1.137 108 A CA 0.068 52.094 52.037 -0.019 0.000 0.805 108 A CB 0.214 19.204 19.000 -0.017 0.000 1.077 108 A HN 0.202 8.344 8.150 -0.013 0.000 0.513 109 K N 6.204 126.590 120.400 -0.023 0.000 2.258 109 K HA 0.164 4.475 4.320 -0.016 0.000 0.264 109 K C -1.974 174.606 176.600 -0.034 0.000 1.007 109 K CA -2.540 53.734 56.287 -0.022 0.000 0.941 109 K CB -1.437 31.052 32.500 -0.019 0.000 0.966 109 K HN -0.055 8.180 8.250 -0.025 0.000 0.480 110 P HA -0.053 4.341 4.420 -0.043 0.000 0.266 110 P C 0.029 177.278 177.300 -0.085 0.000 1.195 110 P CA -0.363 62.707 63.100 -0.049 0.000 0.768 110 P CB 0.685 32.359 31.700 -0.042 0.000 0.838 111 G N 0.010 108.751 108.800 -0.098 0.000 3.234 111 G HA2 -0.060 3.776 3.960 -0.206 0.000 0.221 111 G HA3 -0.060 3.824 3.960 -0.125 0.000 0.221 111 G C -0.604 174.141 174.900 -0.258 0.000 1.229 111 G CA -0.202 44.796 45.100 -0.171 0.000 0.909 111 G HN 0.094 8.341 8.290 -0.070 0.000 0.510 112 L N 0.756 121.873 121.223 -0.177 0.000 2.261 112 L HA 0.078 4.368 4.340 -0.084 0.000 0.289 112 L C -0.821 175.986 176.870 -0.104 0.000 1.059 112 L CA -0.328 54.446 54.840 -0.109 0.000 0.816 112 L CB 0.828 42.867 42.059 -0.035 0.000 1.191 112 L HN -0.653 7.350 8.230 -0.124 0.153 0.431 113 H N 5.512 124.633 119.070 0.085 0.000 2.975 113 H HA -0.013 4.589 4.556 0.078 0.000 0.303 113 H C -0.880 174.567 175.328 0.199 0.000 1.023 113 H CA 1.194 57.300 56.048 0.095 0.000 1.473 113 H CB -0.140 29.651 29.762 0.048 0.000 1.498 113 H HN 0.461 8.728 8.280 -0.020 0.000 0.549 114 F N 5.293 125.299 119.950 0.093 0.000 1.753 114 F HA -0.091 4.481 4.527 0.075 0.000 0.316 114 F C -0.249 175.600 175.800 0.081 0.000 1.113 114 F CA 1.465 59.509 58.000 0.073 0.000 1.244 114 F CB 0.758 39.790 39.000 0.052 0.000 1.722 114 F HN 0.306 8.748 8.300 0.237 0.000 0.357 115 I N 1.898 122.642 120.570 0.291 0.000 2.454 115 I HA -0.393 3.952 4.170 0.290 0.000 0.254 115 I C 0.288 176.413 176.117 0.012 0.000 1.156 115 I CA 1.672 63.109 61.300 0.229 0.000 1.433 115 I CB 0.231 38.381 38.000 0.249 0.000 1.082 115 I HN 0.384 8.831 8.210 0.395 0.000 0.432 116 D N -2.256 118.107 120.400 -0.062 0.000 2.277 116 D HA -0.267 4.176 4.640 -0.329 0.000 0.208 116 D C 1.365 177.501 176.300 -0.273 0.000 0.962 116 D CA 3.681 57.562 54.000 -0.199 0.000 0.865 116 D CB -0.545 40.220 40.800 -0.058 0.000 0.939 116 D HN 0.064 8.427 8.370 0.032 0.026 0.510 117 Q N -1.629 118.039 119.800 -0.220 0.000 2.291 117 Q HA -0.305 3.934 4.340 -0.169 0.000 0.206 117 Q C 1.542 177.400 176.000 -0.236 0.000 0.976 117 Q CA 2.634 58.302 55.803 -0.225 0.000 0.875 117 Q CB -0.145 28.424 28.738 -0.281 0.000 0.927 117 Q HN -0.209 7.782 8.270 -0.175 0.174 0.450 118 H N -4.477 114.430 119.070 -0.271 0.000 2.544 118 H HA 0.036 4.471 4.556 -0.202 0.000 0.269 118 H C 1.084 176.260 175.328 -0.255 0.000 0.970 118 H CA 1.887 57.789 56.048 -0.244 0.000 1.219 118 H CB 0.346 29.960 29.762 -0.246 0.000 1.421 118 H HN -0.621 7.431 8.280 -0.319 0.036 0.555 119 R N 0.655 120.630 120.500 -0.875 0.000 2.051 119 R HA -0.244 3.693 4.340 -0.672 0.000 0.225 119 R C 1.793 177.917 176.300 -0.294 0.000 1.155 119 R CA 3.061 58.771 56.100 -0.651 0.000 0.945 119 R CB -0.091 29.843 30.300 -0.610 0.000 0.840 119 R HN -0.347 7.219 8.270 -0.901 0.164 0.432 120 A N -1.928 120.752 122.820 -0.234 0.000 1.978 120 A HA -0.224 4.031 4.320 -0.107 0.000 0.220 120 A C 1.901 179.426 177.584 -0.099 0.000 1.170 120 A CA 2.884 54.842 52.037 -0.133 0.000 0.636 120 A CB -1.004 17.926 19.000 -0.115 0.000 0.810 120 A HN -0.373 7.614 8.150 -0.273 0.000 0.448 121 A N -1.464 121.291 122.820 -0.109 0.000 1.858 121 A HA -0.253 4.037 4.320 -0.050 0.000 0.216 121 A C 1.976 179.541 177.584 -0.031 0.000 1.190 121 A CA 2.923 54.924 52.037 -0.060 0.000 0.617 121 A CB -0.597 18.372 19.000 -0.052 0.000 0.827 121 A HN -0.522 7.519 8.150 -0.153 0.018 0.443 122 L N -4.046 117.158 121.223 -0.030 0.000 2.109 122 L HA -0.192 4.167 4.340 0.032 0.000 0.207 122 L C 1.851 178.731 176.870 0.017 0.000 1.086 122 L CA 2.946 57.794 54.840 0.014 0.000 0.760 122 L CB -0.319 41.763 42.059 0.039 0.000 0.910 122 L HN -0.730 7.463 8.230 -0.062 0.000 0.437 123 I N 0.002 120.565 120.570 -0.013 0.000 2.163 123 I HA -0.622 3.569 4.170 0.036 0.000 0.243 123 I C 1.928 178.052 176.117 0.012 0.000 1.085 123 I CA 4.505 65.809 61.300 0.007 0.000 1.347 123 I CB -0.614 37.375 38.000 -0.019 0.000 1.044 123 I HN 0.297 8.475 8.210 -0.054 0.000 0.408 124 A N -2.192 120.625 122.820 -0.005 0.000 2.015 124 A HA -0.233 4.087 4.320 0.000 0.000 0.219 124 A C 1.299 178.887 177.584 0.008 0.000 1.163 124 A CA 2.602 54.637 52.037 -0.003 0.000 0.646 124 A CB -0.589 18.401 19.000 -0.016 0.000 0.806 124 A HN -0.203 7.934 8.150 -0.022 0.000 0.448 125 R N -4.356 116.154 120.500 0.016 0.000 2.223 125 R HA -0.113 4.234 4.340 0.012 0.000 0.198 125 R C 1.553 177.880 176.300 0.046 0.000 0.984 125 R CA 1.495 57.609 56.100 0.024 0.000 1.018 125 R CB 0.346 30.662 30.300 0.028 0.000 0.945 125 R HN -0.775 7.361 8.270 0.014 0.143 0.479 126 V N -1.889 118.064 119.914 0.066 0.000 2.719 126 V HA -0.247 3.943 4.120 0.117 0.000 0.252 126 V C 0.109 176.259 176.094 0.092 0.000 1.065 126 V CA 2.212 64.576 62.300 0.106 0.000 1.086 126 V CB 0.410 32.316 31.823 0.138 0.000 0.700 126 V HN 0.117 8.150 8.190 0.056 0.190 0.467 127 T N -1.457 113.135 114.554 0.064 0.000 13.157 127 T HA -0.572 3.800 4.350 0.037 0.000 0.419 127 T C -0.001 174.742 174.700 0.073 0.000 1.441 127 T CA 3.705 65.835 62.100 0.050 0.000 2.364 127 T CB -1.515 67.372 68.868 0.032 0.000 2.813 127 T HN -0.430 7.818 8.240 0.052 0.024 0.644 128 N N 4.650 123.409 118.700 0.098 0.000 2.543 128 N HA -0.088 4.715 4.740 0.105 0.000 0.289 128 N C 0.402 176.024 175.510 0.187 0.000 1.223 128 N CA 0.321 53.455 53.050 0.140 0.000 1.080 128 N CB -0.962 37.623 38.487 0.163 0.000 1.450 128 N HN 0.130 8.529 8.380 0.090 0.035 0.501 129 V N 3.374 123.365 119.914 0.128 0.000 2.407 129 V HA -0.381 3.812 4.120 0.120 0.000 0.248 129 V C 0.621 176.793 176.094 0.130 0.000 1.055 129 V CA 3.365 65.734 62.300 0.115 0.000 1.049 129 V CB 0.150 32.018 31.823 0.074 0.000 0.662 129 V HN 0.121 8.349 8.190 0.097 0.021 0.455 130 E N -1.396 118.887 120.200 0.139 0.000 2.204 130 E HA -0.263 4.156 4.350 0.115 0.000 0.194 130 E C 2.162 178.879 176.600 0.195 0.000 0.989 130 E CA 2.713 59.198 56.400 0.142 0.000 0.824 130 E CB -0.756 29.019 29.700 0.126 0.000 0.756 130 E HN 0.130 8.556 8.360 0.128 0.011 0.477 131 W N 0.455 121.788 121.300 0.055 0.000 2.318 131 W HA -0.319 4.368 4.660 0.043 0.000 0.313 131 W C 1.038 177.597 176.519 0.066 0.000 1.221 131 W CA 2.989 60.365 57.345 0.051 0.000 1.266 131 W CB -0.178 29.308 29.460 0.042 0.000 1.150 131 W HN -0.753 7.515 8.180 0.354 0.124 0.496 132 L N -3.076 117.977 121.223 -0.283 0.000 2.072 132 L HA -0.364 3.496 4.340 -0.800 0.000 0.205 132 L C 2.056 178.815 176.870 -0.184 0.000 1.079 132 L CA 2.396 56.988 54.840 -0.413 0.000 0.752 132 L CB -0.269 41.708 42.059 -0.137 0.000 0.906 132 L HN -0.753 7.489 8.230 0.020 0.000 0.436 133 L N -1.171 120.050 121.223 -0.003 0.000 1.989 133 L HA -0.453 3.978 4.340 0.151 0.000 0.211 133 L C 2.568 179.563 176.870 0.209 0.000 1.071 133 L CA 3.324 58.250 54.840 0.142 0.000 0.749 133 L CB -0.235 41.917 42.059 0.155 0.000 0.890 133 L HN -0.794 7.453 8.230 0.028 0.000 0.431 134 D N -2.209 118.263 120.400 0.120 0.000 2.218 134 D HA -0.273 4.389 4.640 0.037 0.000 0.204 134 D C 2.145 178.404 176.300 -0.068 0.000 0.976 134 D CA 2.796 56.822 54.000 0.042 0.000 0.853 134 D CB -0.036 40.794 40.800 0.049 0.000 0.939 134 D HN 0.054 8.375 8.370 0.097 0.107 0.481 135 A N -0.024 122.658 122.820 -0.231 0.000 1.898 135 A HA -0.256 3.883 4.320 -0.301 0.000 0.216 135 A C 1.246 178.704 177.584 -0.211 0.000 1.181 135 A CA 2.785 54.615 52.037 -0.345 0.000 0.620 135 A CB -0.157 18.450 19.000 -0.655 0.000 0.819 135 A HN -0.677 7.159 8.150 -0.282 0.145 0.442 136 L N -5.566 115.562 121.223 -0.158 0.000 2.645 136 L HA -0.071 4.142 4.340 -0.211 0.000 0.235 136 L C -1.088 175.712 176.870 -0.116 0.000 1.150 136 L CA -0.898 53.852 54.840 -0.150 0.000 0.911 136 L CB -1.003 40.978 42.059 -0.129 0.000 1.077 136 L HN -0.782 7.371 8.230 -0.128 0.000 0.438 137 Y N 1.121 121.241 120.300 -0.299 0.000 2.496 137 Y HA -0.163 3.965 4.550 -0.703 0.000 0.334 137 Y C 0.550 176.246 175.900 -0.339 0.000 1.080 137 Y CA 1.474 59.252 58.100 -0.536 0.000 1.355 137 Y CB 0.418 38.455 38.460 -0.704 0.000 1.193 137 Y HN -0.771 7.263 8.280 -0.047 0.218 0.523 138 G N 5.620 113.892 108.800 -0.881 0.000 2.212 138 G HA2 -0.489 3.087 3.960 -0.640 0.000 0.266 138 G HA3 -0.489 2.993 3.960 -0.796 0.000 0.266 138 G C -0.113 174.558 174.900 -0.381 0.000 0.978 138 G CA 0.992 45.672 45.100 -0.700 0.000 0.632 138 G HN 0.389 8.221 8.290 -0.765 0.000 0.537 139 K N 0.860 121.073 120.400 -0.312 0.000 2.049 139 K HA 0.044 4.233 4.320 -0.218 0.000 0.214 139 K C 1.176 177.634 176.600 -0.238 0.000 1.026 139 K CA 0.820 56.962 56.287 -0.242 0.000 0.954 139 K CB 0.353 32.717 32.500 -0.227 0.000 0.838 139 K HN -0.537 7.304 8.250 -0.322 0.216 0.450 140 V N -1.773 117.987 119.914 -0.256 0.000 2.426 140 V HA -0.047 3.928 4.120 -0.241 0.000 0.242 140 V C 0.903 176.856 176.094 -0.237 0.000 1.036 140 V CA 0.826 62.970 62.300 -0.260 0.000 1.044 140 V CB 0.409 32.027 31.823 -0.341 0.000 0.688 140 V HN -0.175 7.855 8.190 -0.267 0.000 0.462 141 L N -1.194 119.890 121.223 -0.231 0.000 2.417 141 L HA 0.063 4.213 4.340 -0.318 0.000 0.268 141 L C -0.088 176.670 176.870 -0.187 0.000 1.158 141 L CA -0.304 54.392 54.840 -0.240 0.000 0.819 141 L CB 0.456 42.406 42.059 -0.181 0.000 1.112 141 L HN -0.455 7.643 8.230 -0.219 0.000 0.458 142 T N -2.275 112.180 114.554 -0.166 0.000 2.754 142 T HA -0.043 4.214 4.350 -0.154 0.000 0.286 142 T C 0.744 175.407 174.700 -0.063 0.000 0.997 142 T CA -1.378 60.650 62.100 -0.121 0.000 0.982 142 T CB 1.333 70.151 68.868 -0.083 0.000 1.027 142 T HN -0.176 7.942 8.240 -0.203 0.000 0.529 143 D N -0.424 119.941 120.400 -0.058 0.000 2.178 143 D HA -0.248 4.421 4.640 0.048 0.000 0.202 143 D C 2.271 178.647 176.300 0.125 0.000 0.974 143 D CA 3.893 57.913 54.000 0.033 0.000 0.841 143 D CB -0.103 40.703 40.800 0.010 0.000 0.953 143 D HN 0.398 8.718 8.370 -0.083 0.000 0.478 144 E N -0.188 120.056 120.200 0.073 0.000 2.107 144 E HA -0.152 4.421 4.350 0.099 -0.163 0.191 144 E C 2.566 179.230 176.600 0.106 0.000 0.982 144 E CA 2.351 58.803 56.400 0.087 0.000 0.809 144 E CB 0.075 29.810 29.700 0.059 0.000 0.756 144 E HN -0.543 7.823 8.360 0.032 0.014 0.459 145 Q N -0.223 119.625 119.800 0.081 0.000 2.049 145 Q HA -0.269 4.171 4.340 0.167 0.000 0.198 145 Q C 2.358 178.433 176.000 0.124 0.000 0.971 145 Q CA 2.932 58.786 55.803 0.085 0.000 0.833 145 Q CB 0.269 28.921 28.738 -0.143 0.000 0.896 145 Q HN -0.544 7.750 8.270 0.041 0.000 0.434 146 Y N 0.691 121.002 120.300 0.018 0.000 2.207 146 Y HA -0.550 4.042 4.550 0.071 0.000 0.287 146 Y C 1.704 177.667 175.900 0.105 0.000 1.156 146 Y CA 3.798 61.946 58.100 0.079 0.000 1.182 146 Y CB -0.077 38.469 38.460 0.144 0.000 0.979 146 Y HN -0.104 8.298 8.280 0.203 0.000 0.521 147 Q N -1.887 118.002 119.800 0.149 0.000 2.079 147 Q HA -0.455 3.853 4.340 -0.053 0.000 0.200 147 Q C 2.254 178.244 176.000 -0.017 0.000 0.974 147 Q CA 2.844 58.671 55.803 0.040 0.000 0.840 147 Q CB -0.156 28.663 28.738 0.136 0.000 0.898 147 Q HN -0.532 7.897 8.270 0.279 0.008 0.430 148 A N -0.728 122.117 122.820 0.043 0.000 1.978 148 A HA -0.272 4.071 4.320 0.038 0.000 0.220 148 A C 1.220 178.818 177.584 0.024 0.000 1.170 148 A CA 2.847 54.915 52.037 0.052 0.000 0.636 148 A CB -0.581 18.486 19.000 0.112 0.000 0.810 148 A HN -0.440 7.688 8.150 0.084 0.072 0.448 149 V N -3.204 116.710 119.914 0.001 0.000 2.488 149 V HA -0.429 3.789 4.120 0.031 -0.080 0.246 149 V C 1.675 177.703 176.094 -0.109 0.000 1.046 149 V CA 3.279 65.566 62.300 -0.021 0.000 1.053 149 V CB -0.080 31.743 31.823 0.000 0.000 0.679 149 V HN -0.550 7.526 8.190 -0.002 0.112 0.458 150 R N -0.511 119.856 120.500 -0.222 0.000 2.189 150 R HA -0.265 3.967 4.340 -0.179 0.000 0.218 150 R C 1.333 177.579 176.300 -0.090 0.000 1.074 150 R CA 2.363 58.342 56.100 -0.203 0.000 0.991 150 R CB -0.015 30.103 30.300 -0.304 0.000 0.883 150 R HN -0.501 7.501 8.270 -0.292 0.093 0.457 151 A N -1.909 120.876 122.820 -0.060 0.000 2.235 151 A HA 0.051 4.358 4.320 -0.022 0.000 0.208 151 A C -0.108 177.465 177.584 -0.018 0.000 1.172 151 A CA 0.413 52.435 52.037 -0.025 0.000 0.786 151 A CB -0.127 18.868 19.000 -0.007 0.000 0.804 151 A HN -0.352 7.618 8.150 -0.065 0.141 0.479 152 E N -0.535 119.651 120.200 -0.024 0.000 2.447 152 E HA -0.120 4.224 4.350 -0.010 0.000 0.259 152 E C -0.832 175.760 176.600 -0.012 0.000 1.196 152 E CA -0.262 56.129 56.400 -0.014 0.000 0.995 152 E CB -0.251 29.441 29.700 -0.014 0.000 0.974 152 E HN -0.916 7.229 8.360 -0.037 0.193 0.465 153 P HA 0.076 4.492 4.420 -0.007 0.000 0.213 153 P C -0.613 176.683 177.300 -0.008 0.000 1.156 153 P CA 0.799 63.895 63.100 -0.007 0.000 0.884 153 P CB 0.556 32.252 31.700 -0.007 0.000 0.774 154 T N -2.181 112.368 114.554 -0.008 0.000 2.868 154 T HA 0.014 4.360 4.350 -0.007 0.000 0.292 154 T C 0.441 175.137 174.700 -0.006 0.000 1.028 154 T CA -1.278 60.818 62.100 -0.007 0.000 1.059 154 T CB 1.016 69.878 68.868 -0.009 0.000 0.991 154 T HN -0.451 7.784 8.240 -0.008 0.000 0.531 155 N N 1.326 120.024 118.700 -0.003 0.000 2.109 155 N HA -0.090 4.650 4.740 -0.001 0.000 0.188 155 N C 0.537 176.049 175.510 0.004 0.000 1.034 155 N CA 4.242 57.292 53.050 0.001 0.000 0.846 155 N CB -1.266 37.224 38.487 0.006 0.000 1.010 155 N HN 0.248 8.626 8.380 -0.004 0.000 0.425 156 P HA -0.069 4.355 4.420 0.007 0.000 0.225 156 P C 0.942 178.241 177.300 -0.002 0.000 1.148 156 P CA 2.063 65.162 63.100 -0.002 0.000 0.779 156 P CB -0.498 31.193 31.700 -0.015 0.000 0.780 157 S N -2.817 112.881 115.700 -0.003 0.000 2.423 157 S HA -0.224 4.242 4.470 -0.006 0.000 0.231 157 S C 1.724 176.330 174.600 0.010 0.000 1.014 157 S CA 2.956 61.155 58.200 -0.002 0.000 0.965 157 S CB -0.569 62.627 63.200 -0.006 0.000 0.785 157 S HN 0.163 8.309 8.310 -0.005 0.161 0.495 158 K N 0.850 121.255 120.400 0.009 0.000 2.097 158 K HA -0.258 4.213 4.320 0.001 -0.150 0.206 158 K C 2.536 179.169 176.600 0.054 0.000 1.049 158 K CA 3.012 59.306 56.287 0.011 0.000 0.933 158 K CB -0.185 32.307 32.500 -0.012 0.000 0.717 158 K HN -0.338 7.779 8.250 0.004 0.135 0.442 159 M N -1.642 117.996 119.600 0.064 0.000 2.160 159 M HA -0.223 4.355 4.480 0.163 0.000 0.264 159 M C 1.819 178.197 176.300 0.131 0.000 1.073 159 M CA 2.066 57.436 55.300 0.117 0.000 1.142 159 M CB -0.782 31.870 32.600 0.086 0.000 1.358 159 M HN -0.804 7.407 8.290 0.041 0.103 0.422 160 R N -0.973 119.562 120.500 0.057 0.000 2.113 160 R HA -0.443 3.903 4.340 0.010 0.000 0.244 160 R C 2.483 178.829 176.300 0.078 0.000 1.142 160 R CA 3.797 59.917 56.100 0.034 0.000 0.953 160 R CB -0.431 29.861 30.300 -0.013 0.000 0.860 160 R HN -0.288 8.000 8.270 0.029 0.000 0.438 161 K N -1.377 119.064 120.400 0.067 0.000 2.026 161 K HA -0.233 4.083 4.320 -0.006 0.000 0.208 161 K C 2.159 178.854 176.600 0.158 0.000 1.048 161 K CA 2.219 58.540 56.287 0.056 0.000 0.929 161 K CB -0.420 32.108 32.500 0.046 0.000 0.713 161 K HN -0.684 7.599 8.250 0.054 0.000 0.439 162 L N -1.317 120.058 121.223 0.254 0.000 2.051 162 L HA -0.372 4.275 4.340 0.512 0.000 0.214 162 L C 2.724 179.834 176.870 0.400 0.000 1.076 162 L CA 3.183 58.271 54.840 0.413 0.000 0.758 162 L CB -0.047 42.245 42.059 0.389 0.000 0.890 162 L HN -0.776 7.575 8.230 0.201 0.000 0.433 163 F N -2.374 117.634 119.950 0.097 0.000 2.259 163 F HA -0.307 3.893 4.527 -0.545 0.000 0.298 163 F C 0.979 176.548 175.800 -0.386 0.000 1.088 163 F CA 3.131 60.996 58.000 -0.225 0.000 1.358 163 F CB 0.440 39.400 39.000 -0.066 0.000 1.040 163 F HN -0.128 8.394 8.300 0.387 0.010 0.505 164 S N -1.512 114.151 115.700 -0.062 0.000 2.474 164 S HA -0.230 4.155 4.470 -0.142 0.000 0.235 164 S C 1.282 175.712 174.600 -0.285 0.000 0.997 164 S CA 1.593 59.693 58.200 -0.167 0.000 0.949 164 S CB -0.204 62.909 63.200 -0.145 0.000 0.766 164 S HN -0.399 7.811 8.310 0.054 0.133 0.517 165 F N 3.502 123.278 119.950 -0.290 0.000 2.778 165 F HA 0.137 4.586 4.527 -0.130 0.000 0.295 165 F C 0.052 175.506 175.800 -0.576 0.000 1.262 165 F CA -1.212 56.650 58.000 -0.230 0.000 1.429 165 F CB -1.466 37.569 39.000 0.058 0.000 1.072 165 F HN -0.536 7.568 8.300 -0.046 0.168 0.514 166 T N 2.665 116.894 114.554 -0.542 0.000 2.708 166 T HA -0.171 3.515 4.350 -1.106 0.000 0.266 166 T C -0.312 174.292 174.700 -0.160 0.000 1.037 166 T CA 5.547 67.290 62.100 -0.594 0.000 1.146 166 T CB -2.334 66.288 68.868 -0.410 0.000 0.865 166 T HN 0.150 7.981 8.240 -0.436 0.147 0.435 167 P HA -0.175 4.257 4.420 0.020 0.000 0.226 167 P C -0.673 176.688 177.300 0.102 0.000 1.146 167 P CA 1.619 64.737 63.100 0.030 0.000 0.773 167 P CB -1.274 30.442 31.700 0.025 0.000 0.772 168 A N -5.194 117.741 122.820 0.192 0.000 2.303 168 A HA 0.097 4.492 4.320 0.125 0.000 0.217 168 A C -0.698 177.052 177.584 0.277 0.000 1.205 168 A CA -0.240 51.930 52.037 0.221 0.000 0.875 168 A CB 0.794 19.953 19.000 0.266 0.000 0.910 168 A HN -0.420 7.639 8.150 0.183 0.201 0.501 169 W N -0.579 120.672 121.300 -0.082 0.000 2.335 169 W HA -0.014 4.538 4.660 -0.180 0.000 0.306 169 W C -1.033 175.379 176.519 -0.178 0.000 1.216 169 W CA -0.476 56.779 57.345 -0.149 0.000 1.237 169 W CB -0.458 28.910 29.460 -0.153 0.000 1.243 169 W HN -0.075 8.083 8.180 0.302 0.202 0.493 170 N N 2.582 121.200 118.700 -0.135 0.000 2.538 170 N HA 0.217 4.837 4.740 -0.200 0.000 0.292 170 N C 0.748 176.089 175.510 -0.282 0.000 1.262 170 N CA -0.758 52.066 53.050 -0.376 0.000 0.976 170 N CB 2.019 39.950 38.487 -0.927 0.000 1.161 170 N HN 0.020 8.268 8.380 -0.220 0.000 0.598 171 W N -2.202 119.116 121.300 0.029 0.000 2.338 171 W HA -0.150 4.531 4.660 0.036 0.000 0.304 171 W C 0.872 177.388 176.519 -0.005 0.000 1.212 171 W CA 3.443 60.800 57.345 0.020 0.000 1.264 171 W CB -1.349 28.119 29.460 0.014 0.000 1.142 171 W HN 0.543 8.466 8.180 -0.428 0.000 0.512 172 T N 1.677 115.991 114.554 -0.399 0.000 2.821 172 T HA -0.249 4.281 4.350 0.074 -0.135 0.267 172 T C 1.429 175.999 174.700 -0.218 0.000 1.046 172 T CA 3.542 65.552 62.100 -0.150 0.000 1.139 172 T CB -0.903 67.835 68.868 -0.217 0.000 0.871 172 T HN 0.014 7.348 8.240 -1.503 0.004 0.454 173 C N 1.464 120.566 119.300 -0.330 0.000 2.413 173 C HA -0.381 3.820 4.460 -0.432 0.000 0.278 173 C C 1.415 176.179 174.990 -0.376 0.000 1.224 173 C CA 2.677 61.452 59.018 -0.405 0.000 1.732 173 C CB -0.580 26.892 27.740 -0.445 0.000 2.050 173 C HN -0.138 7.741 8.230 -0.432 0.091 0.463 174 K N -1.105 119.194 120.400 -0.168 0.000 2.044 174 K HA -0.465 3.823 4.320 -0.054 0.000 0.210 174 K C 2.214 178.781 176.600 -0.055 0.000 1.049 174 K CA 3.741 60.006 56.287 -0.036 0.000 0.927 174 K CB -0.403 32.170 32.500 0.121 0.000 0.713 174 K HN -0.587 7.613 8.250 -0.084 0.000 0.443 175 D N -1.491 118.892 120.400 -0.028 0.000 2.221 175 D HA -0.254 4.399 4.640 0.021 0.000 0.204 175 D C 2.167 178.430 176.300 -0.062 0.000 0.982 175 D CA 3.028 57.023 54.000 -0.009 0.000 0.857 175 D CB -0.385 40.431 40.800 0.027 0.000 0.934 175 D HN -0.616 7.748 8.370 -0.010 0.000 0.475 176 L N 0.172 121.309 121.223 -0.143 0.000 2.017 176 L HA -0.220 4.045 4.340 -0.126 0.000 0.208 176 L C 1.635 178.401 176.870 -0.173 0.000 1.073 176 L CA 2.819 57.552 54.840 -0.178 0.000 0.745 176 L CB -0.714 41.178 42.059 -0.277 0.000 0.894 176 L HN -0.322 7.655 8.230 -0.178 0.146 0.432 177 L N -0.835 120.261 121.223 -0.211 0.000 2.068 177 L HA -0.268 3.981 4.340 -0.153 0.000 0.204 177 L C 1.933 178.800 176.870 -0.005 0.000 1.076 177 L CA 3.293 58.056 54.840 -0.128 0.000 0.753 177 L CB 0.023 42.009 42.059 -0.121 0.000 0.910 177 L HN -0.789 7.270 8.230 -0.286 0.000 0.439 178 L N -2.787 118.451 121.223 0.025 0.000 2.079 178 L HA -0.536 3.865 4.340 0.101 0.000 0.210 178 L C 2.296 179.200 176.870 0.055 0.000 1.081 178 L CA 3.241 58.122 54.840 0.069 0.000 0.752 178 L CB -0.778 41.324 42.059 0.071 0.000 0.896 178 L HN -0.183 8.048 8.230 0.000 0.000 0.433 179 Q N -1.055 118.762 119.800 0.028 0.000 2.020 179 Q HA -0.426 3.941 4.340 0.046 0.000 0.198 179 Q C 1.833 177.875 176.000 0.070 0.000 0.974 179 Q CA 3.116 58.942 55.803 0.038 0.000 0.829 179 Q CB 0.096 28.843 28.738 0.015 0.000 0.894 179 Q HN 0.123 8.275 8.270 -0.000 0.118 0.433 180 A N -0.322 122.529 122.820 0.052 0.000 1.978 180 A HA -0.263 4.178 4.320 0.202 0.000 0.220 180 A C 2.338 180.063 177.584 0.235 0.000 1.170 180 A CA 2.847 54.962 52.037 0.130 0.000 0.636 180 A CB -0.795 18.166 19.000 -0.064 0.000 0.810 180 A HN -0.490 7.657 8.150 -0.005 0.000 0.448 181 L N -3.099 118.222 121.223 0.165 0.000 2.093 181 L HA -0.268 4.226 4.340 0.256 0.000 0.208 181 L C 2.010 178.981 176.870 0.168 0.000 1.085 181 L CA 2.550 57.505 54.840 0.192 0.000 0.755 181 L CB -0.245 41.905 42.059 0.151 0.000 0.904 181 L HN -0.048 8.225 8.230 0.108 0.022 0.435 182 R N -1.415 119.161 120.500 0.126 0.000 2.092 182 R HA -0.321 4.201 4.340 0.083 -0.132 0.231 182 R C 1.767 178.128 176.300 0.102 0.000 1.119 182 R CA 2.618 58.773 56.100 0.092 0.000 0.970 182 R CB -0.598 29.738 30.300 0.059 0.000 0.864 182 R HN -0.575 7.666 8.270 0.114 0.097 0.440 183 E N -1.442 118.838 120.200 0.132 0.000 2.118 183 E HA -0.229 4.171 4.350 0.084 0.000 0.195 183 E C 1.901 178.558 176.600 0.095 0.000 0.992 183 E CA 2.181 58.655 56.400 0.122 0.000 0.804 183 E CB -0.314 29.499 29.700 0.188 0.000 0.741 183 E HN -0.537 7.914 8.360 0.151 0.000 0.458 184 S N -2.726 113.057 115.700 0.138 0.000 2.439 184 S HA -0.059 4.398 4.470 -0.022 0.000 0.224 184 S C 0.041 174.701 174.600 0.099 0.000 1.029 184 S CA 1.208 59.450 58.200 0.069 0.000 0.946 184 S CB 1.811 65.079 63.200 0.115 0.000 0.797 184 S HN -0.612 7.722 8.310 0.212 0.104 0.504 185 Q N -0.587 119.300 119.800 0.144 0.000 2.548 185 Q HA 0.244 4.718 4.340 0.224 0.000 0.232 185 Q C -0.870 175.236 176.000 0.177 0.000 0.838 185 Q CA -0.159 55.770 55.803 0.209 0.000 1.032 185 Q CB 1.960 30.840 28.738 0.235 0.000 1.548 185 Q HN -0.142 8.039 8.270 0.150 0.179 0.479 186 S N 3.439 119.181 115.700 0.071 0.000 2.447 186 S HA -0.299 4.173 4.470 0.004 0.000 0.233 186 S C 0.963 175.513 174.600 -0.085 0.000 1.006 186 S CA 2.448 60.613 58.200 -0.059 0.000 0.957 186 S CB 0.253 63.343 63.200 -0.182 0.000 0.773 186 S HN 0.496 8.841 8.310 0.058 0.000 0.507 187 Y N 1.684 122.006 120.300 0.037 0.000 2.128 187 Y HA -0.252 4.316 4.550 0.030 0.000 0.284 187 Y C 1.845 177.769 175.900 0.039 0.000 1.154 187 Y CA 2.958 61.078 58.100 0.033 0.000 1.149 187 Y CB -0.801 37.676 38.460 0.028 0.000 0.976 187 Y HN -0.295 8.075 8.280 0.217 0.041 0.505 188 L N -2.826 118.531 121.223 0.223 0.000 2.141 188 L HA -0.340 4.081 4.340 0.135 0.000 0.209 188 L C 1.869 178.805 176.870 0.111 0.000 1.094 188 L CA 2.616 57.544 54.840 0.147 0.000 0.763 188 L CB -0.801 41.342 42.059 0.140 0.000 0.908 188 L HN -0.590 7.799 8.230 0.266 0.000 0.437 189 V N -0.276 119.696 119.914 0.096 0.000 2.332 189 V HA -0.575 3.597 4.120 0.087 0.000 0.248 189 V C 2.227 178.354 176.094 0.056 0.000 1.055 189 V CA 4.729 67.073 62.300 0.073 0.000 1.038 189 V CB -0.634 31.220 31.823 0.052 0.000 0.651 189 V HN -0.561 7.594 8.190 0.102 0.097 0.450 190 E N -0.214 120.012 120.200 0.043 0.000 2.076 190 E HA -0.320 4.047 4.350 0.028 0.000 0.190 190 E C 1.996 178.626 176.600 0.051 0.000 0.979 190 E CA 3.076 59.496 56.400 0.034 0.000 0.807 190 E CB -0.228 29.479 29.700 0.012 0.000 0.761 190 E HN -0.666 7.710 8.360 0.039 0.008 0.454 191 D N 0.137 120.579 120.400 0.069 0.000 2.144 191 D HA -0.231 4.444 4.640 0.059 0.000 0.199 191 D C 1.825 178.158 176.300 0.054 0.000 0.984 191 D CA 3.300 57.340 54.000 0.066 0.000 0.834 191 D CB 0.156 41.004 40.800 0.079 0.000 0.955 191 D HN -0.127 8.295 8.370 0.086 0.000 0.465 192 L N -3.511 117.748 121.223 0.060 0.000 2.209 192 L HA -0.171 4.190 4.340 0.034 0.000 0.207 192 L C 1.731 178.625 176.870 0.041 0.000 1.094 192 L CA 1.988 56.857 54.840 0.049 0.000 0.790 192 L CB -0.364 41.740 42.059 0.075 0.000 0.932 192 L HN 0.051 8.206 8.230 0.072 0.118 0.447 193 E N 0.240 120.470 120.200 0.050 0.000 2.047 193 E HA -0.297 4.083 4.350 0.050 0.000 0.191 193 E C 1.980 178.604 176.600 0.040 0.000 0.987 193 E CA 2.657 59.085 56.400 0.047 0.000 0.799 193 E CB 0.204 29.931 29.700 0.046 0.000 0.752 193 E HN -0.505 7.807 8.360 0.055 0.081 0.449 194 R N 0.360 120.883 120.500 0.039 0.000 4.154 194 R HA -0.007 4.356 4.340 0.038 0.000 0.186 194 R C -0.184 176.142 176.300 0.043 0.000 1.750 194 R CA -1.467 54.657 56.100 0.039 0.000 1.431 194 R CB -2.426 27.897 30.300 0.038 0.000 1.383 194 R HN -0.203 8.091 8.270 0.041 0.000 0.788 195 S N 0.000 115.727 115.700 0.045 0.000 2.498 195 S HA 0.000 4.494 4.470 0.040 0.000 0.327 195 S CA 0.000 58.234 58.200 0.056 0.000 1.107 195 S CB 0.000 63.237 63.200 0.061 0.000 0.593 195 S HN 0.000 8.275 8.310 0.043 0.060 0.517