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 3nl7_1_B DATA FIRST_RESID 1 DATA SEQUENCE VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST DATA SEQUENCE PDAVMGNPKV KAWGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP DATA SEQUENCE ENFRLLGNVL VCVLAHHFGK EFTPPVQAAY QKVVAGVANA LAHKYH 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 V HA 0.000 4.157 4.120 0.062 0.000 0.244 1 V C 0.000 175.881 176.094 -0.355 0.000 1.182 1 V CA 0.000 62.225 62.300 -0.125 0.000 1.235 1 V CB 0.000 31.778 31.823 -0.075 0.000 1.184 2 H N 4.932 123.992 119.070 -0.018 0.000 2.991 2 H HA 0.417 4.958 4.556 -0.024 0.000 0.304 2 H C -1.332 173.977 175.328 -0.031 0.000 1.040 2 H CA -1.023 55.011 56.048 -0.023 0.000 1.410 2 H CB 0.808 30.559 29.762 -0.018 0.000 1.529 2 H HN 0.173 8.609 8.280 0.260 0.000 0.509 3 L N 4.357 125.599 121.223 0.032 0.000 2.326 3 L HA 0.336 4.852 4.340 -0.003 -0.178 0.278 3 L C 0.248 177.119 176.870 0.002 0.000 1.092 3 L CA -1.114 53.723 54.840 -0.006 0.000 0.810 3 L CB 0.939 42.964 42.059 -0.057 0.000 1.153 3 L HN 0.242 8.468 8.230 -0.007 0.000 0.439 4 T N 0.484 115.036 114.554 -0.005 0.000 2.813 4 T HA 0.315 4.666 4.350 0.002 0.000 0.297 4 T C -0.178 174.509 174.700 -0.022 0.000 1.036 4 T CA -2.296 59.799 62.100 -0.007 0.000 1.044 4 T CB 0.541 69.402 68.868 -0.011 0.000 0.993 4 T HN -0.021 8.489 8.240 -0.009 -0.275 0.535 5 P HA -0.289 4.115 4.420 -0.027 0.000 0.216 5 P C 1.446 178.730 177.300 -0.028 0.000 1.150 5 P CA 2.875 65.961 63.100 -0.023 0.000 0.843 5 P CB -0.042 31.648 31.700 -0.017 0.000 0.787 6 E N -2.766 117.418 120.200 -0.026 0.000 2.106 6 E HA -0.301 4.034 4.350 -0.025 0.000 0.192 6 E C 2.516 179.091 176.600 -0.041 0.000 0.984 6 E CA 3.230 59.613 56.400 -0.028 0.000 0.806 6 E CB -0.546 29.140 29.700 -0.023 0.000 0.750 6 E HN 0.122 8.461 8.360 -0.022 0.008 0.458 7 E N -0.325 119.846 120.200 -0.049 0.000 2.107 7 E HA -0.318 3.986 4.350 -0.078 0.000 0.191 7 E C 2.290 178.830 176.600 -0.100 0.000 0.982 7 E CA 2.866 59.221 56.400 -0.074 0.000 0.809 7 E CB -0.108 29.550 29.700 -0.070 0.000 0.756 7 E HN -0.582 7.673 8.360 -0.041 0.080 0.459 8 K N -0.319 120.032 120.400 -0.081 0.000 2.097 8 K HA -0.343 3.904 4.320 -0.122 0.000 0.206 8 K C 2.192 178.748 176.600 -0.072 0.000 1.049 8 K CA 3.328 59.561 56.287 -0.090 0.000 0.933 8 K CB -0.233 32.226 32.500 -0.067 0.000 0.717 8 K HN 0.096 8.308 8.250 -0.064 0.000 0.442 9 S N -0.412 115.259 115.700 -0.049 0.000 2.368 9 S HA -0.270 4.188 4.470 -0.020 0.000 0.224 9 S C 1.740 176.326 174.600 -0.023 0.000 1.029 9 S CA 2.927 61.110 58.200 -0.028 0.000 0.988 9 S CB -0.101 63.087 63.200 -0.020 0.000 0.838 9 S HN -0.271 8.003 8.310 -0.047 0.009 0.462 10 A N 1.901 124.698 122.820 -0.040 0.000 1.902 10 A HA -0.239 4.075 4.320 -0.011 0.000 0.217 10 A C 2.058 179.636 177.584 -0.010 0.000 1.181 10 A CA 2.952 54.972 52.037 -0.028 0.000 0.623 10 A CB -0.790 18.180 19.000 -0.050 0.000 0.818 10 A HN -0.379 7.740 8.150 -0.050 0.000 0.443 11 V N -1.702 118.141 119.914 -0.118 0.000 2.270 11 V HA -0.557 3.377 4.120 -0.310 0.000 0.245 11 V C 1.968 178.087 176.094 0.040 0.000 1.043 11 V CA 4.357 66.517 62.300 -0.233 0.000 1.014 11 V CB 0.215 31.750 31.823 -0.480 0.000 0.645 11 V HN -0.190 7.911 8.190 -0.149 0.000 0.447 12 T N -2.532 112.033 114.554 0.019 0.000 2.951 12 T HA -0.301 4.139 4.350 0.150 0.000 0.268 12 T C 1.596 176.386 174.700 0.150 0.000 1.073 12 T CA 3.680 65.840 62.100 0.098 0.000 1.134 12 T CB -0.152 68.738 68.868 0.038 0.000 0.884 12 T HN -0.119 8.105 8.240 -0.026 0.000 0.479 13 A N 1.784 124.661 122.820 0.095 0.000 1.897 13 A HA -0.149 4.214 4.320 0.072 0.000 0.215 13 A C 1.594 179.219 177.584 0.069 0.000 1.181 13 A CA 2.696 54.776 52.037 0.072 0.000 0.620 13 A CB -0.680 18.340 19.000 0.034 0.000 0.821 13 A HN -0.510 7.658 8.150 0.066 0.021 0.443 14 L N -2.063 119.205 121.223 0.074 0.000 2.093 14 L HA -0.216 3.963 4.340 -0.269 0.000 0.208 14 L C 1.970 178.877 176.870 0.061 0.000 1.085 14 L CA 3.097 57.885 54.840 -0.086 0.000 0.755 14 L CB 0.263 42.286 42.059 -0.061 0.000 0.904 14 L HN -0.832 7.469 8.230 0.118 0.000 0.435 15 W N -0.829 120.524 121.300 0.089 0.000 2.402 15 W HA -0.243 4.518 4.660 0.168 0.000 0.286 15 W C 2.097 178.688 176.519 0.120 0.000 1.221 15 W CA 2.716 60.149 57.345 0.147 0.000 1.257 15 W CB 0.044 29.613 29.460 0.181 0.000 1.120 15 W HN -0.228 8.143 8.180 0.464 0.088 0.551 16 G N -3.039 105.892 108.800 0.218 0.000 2.462 16 G HA2 -0.295 3.745 3.960 0.133 0.000 0.220 16 G HA3 -0.295 3.739 3.960 0.123 0.000 0.220 16 G C 0.148 175.087 174.900 0.065 0.000 1.121 16 G CA 1.182 46.356 45.100 0.125 0.000 0.758 16 G HN -0.538 7.887 8.290 0.245 0.012 0.559 17 K N -1.727 118.728 120.400 0.090 0.000 2.404 17 K HA 0.032 4.417 4.320 0.109 0.000 0.194 17 K C -0.036 176.667 176.600 0.172 0.000 1.023 17 K CA -0.563 55.819 56.287 0.158 0.000 1.094 17 K CB 0.184 32.861 32.500 0.296 0.000 0.841 17 K HN -0.601 7.560 8.250 0.091 0.144 0.523 18 V N 1.306 121.235 119.914 0.025 0.000 2.614 18 V HA -0.192 3.948 4.120 0.034 0.000 0.291 18 V C -0.714 175.279 176.094 -0.168 0.000 1.049 18 V CA 0.206 62.437 62.300 -0.114 0.000 1.038 18 V CB 0.695 32.181 31.823 -0.561 0.000 0.980 18 V HN -0.635 7.342 8.190 -0.077 0.167 0.481 19 N N 6.207 124.828 118.700 -0.131 0.000 2.402 19 N HA -0.003 4.681 4.740 -0.093 0.000 0.252 19 N C 0.481 175.922 175.510 -0.115 0.000 1.118 19 N CA -0.365 52.620 53.050 -0.108 0.000 0.945 19 N CB -0.203 38.228 38.487 -0.093 0.000 1.147 19 N HN 0.289 8.598 8.380 -0.118 0.000 0.495 20 V N 0.698 120.550 119.914 -0.103 0.000 3.380 20 V HA -0.131 3.926 4.120 -0.104 0.000 0.268 20 V C 0.352 176.431 176.094 -0.024 0.000 1.168 20 V CA 1.747 64.004 62.300 -0.072 0.000 1.156 20 V CB 0.092 31.897 31.823 -0.030 0.000 0.785 20 V HN 0.328 8.464 8.190 -0.090 0.000 0.487 21 D N -1.417 118.968 120.400 -0.026 0.000 2.333 21 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 21 D C 0.783 177.080 176.300 -0.004 0.000 0.984 21 D CA 2.392 56.386 54.000 -0.010 0.000 0.873 21 D CB 0.521 41.313 40.800 -0.014 0.000 0.935 21 D HN -0.310 8.244 8.370 -0.037 -0.207 0.521 22 E N -0.783 119.408 120.200 -0.015 0.000 2.357 22 E HA 0.104 4.459 4.350 0.008 0.000 0.202 22 E C 2.088 178.695 176.600 0.011 0.000 0.855 22 E CA 1.119 57.518 56.400 -0.001 0.000 1.048 22 E CB 1.681 31.371 29.700 -0.017 0.000 1.037 22 E HN -0.681 7.705 8.360 -0.031 -0.045 0.499 23 V N 0.039 119.942 119.914 -0.017 0.000 2.407 23 V HA -0.425 3.682 4.120 -0.022 0.000 0.248 23 V C 1.887 177.958 176.094 -0.038 0.000 1.055 23 V CA 4.392 66.662 62.300 -0.049 0.000 1.049 23 V CB 0.003 31.744 31.823 -0.137 0.000 0.662 23 V HN -0.273 7.892 8.190 -0.042 0.000 0.455 24 G N -1.524 107.281 108.800 0.008 0.000 2.402 24 G HA2 -0.307 3.690 3.960 0.062 0.000 0.216 24 G HA3 -0.307 3.846 3.960 0.103 -0.131 0.216 24 G C 1.032 175.974 174.900 0.069 0.000 1.162 24 G CA 2.155 47.294 45.100 0.065 0.000 0.777 24 G HN 0.272 8.568 8.290 0.009 0.000 0.539 25 G N 1.211 110.049 108.800 0.063 0.000 2.408 25 G HA2 -0.297 3.718 3.960 0.092 0.000 0.217 25 G HA3 -0.297 3.705 3.960 0.069 0.000 0.217 25 G C 0.975 175.894 174.900 0.032 0.000 1.150 25 G CA 1.614 46.755 45.100 0.067 0.000 0.776 25 G HN -0.579 7.744 8.290 0.055 0.000 0.542 26 E N 2.942 123.152 120.200 0.016 0.000 2.106 26 E HA -0.301 4.053 4.350 0.007 0.000 0.192 26 E C 1.819 178.399 176.600 -0.034 0.000 0.984 26 E CA 2.637 59.037 56.400 -0.001 0.000 0.806 26 E CB -0.317 29.390 29.700 0.013 0.000 0.750 26 E HN -0.334 7.950 8.360 0.018 0.087 0.458 27 A N -0.395 122.402 122.820 -0.038 0.000 1.873 27 A HA -0.251 4.033 4.320 -0.059 0.000 0.215 27 A C 1.797 179.376 177.584 -0.010 0.000 1.186 27 A CA 3.209 55.224 52.037 -0.037 0.000 0.616 27 A CB -0.498 18.482 19.000 -0.034 0.000 0.823 27 A HN -0.409 7.722 8.150 -0.031 0.000 0.442 28 L N -1.494 119.736 121.223 0.012 0.000 2.046 28 L HA -0.311 4.026 4.340 -0.005 0.000 0.208 28 L C 2.080 178.894 176.870 -0.092 0.000 1.077 28 L CA 2.588 57.417 54.840 -0.019 0.000 0.747 28 L CB -0.485 41.581 42.059 0.011 0.000 0.896 28 L HN -0.056 8.192 8.230 0.032 0.000 0.432 29 G N -2.439 106.321 108.800 -0.067 0.000 2.446 29 G HA2 -0.417 3.478 3.960 -0.109 0.000 0.217 29 G HA3 -0.417 3.510 3.960 -0.055 0.000 0.217 29 G C 1.144 175.986 174.900 -0.098 0.000 1.168 29 G CA 2.072 47.123 45.100 -0.083 0.000 0.771 29 G HN 0.037 8.306 8.290 -0.034 0.000 0.551 30 R N 1.258 121.708 120.500 -0.085 0.000 2.096 30 R HA -0.331 3.935 4.340 -0.124 0.000 0.235 30 R C 2.133 178.355 176.300 -0.131 0.000 1.127 30 R CA 2.975 59.009 56.100 -0.111 0.000 0.968 30 R CB -0.154 30.084 30.300 -0.105 0.000 0.861 30 R HN -0.565 7.664 8.270 -0.068 0.000 0.440 31 L N 0.629 121.811 121.223 -0.069 0.000 2.012 31 L HA -0.324 4.071 4.340 0.092 0.000 0.210 31 L C 1.475 178.282 176.870 -0.105 0.000 1.073 31 L CA 3.581 58.418 54.840 -0.004 0.000 0.748 31 L CB -0.194 41.888 42.059 0.038 0.000 0.891 31 L HN -0.100 8.099 8.230 -0.051 0.000 0.431 32 L N -3.087 118.044 121.223 -0.154 0.000 2.141 32 L HA -0.244 3.994 4.340 -0.169 0.000 0.209 32 L C 2.706 179.475 176.870 -0.168 0.000 1.094 32 L CA 2.907 57.642 54.840 -0.176 0.000 0.763 32 L CB -0.368 41.561 42.059 -0.217 0.000 0.908 32 L HN -0.500 7.635 8.230 -0.159 0.000 0.437 33 V N -1.538 118.273 119.914 -0.172 0.000 2.346 33 V HA -0.437 3.604 4.120 -0.132 0.000 0.244 33 V C 1.846 177.799 176.094 -0.236 0.000 1.037 33 V CA 3.905 66.105 62.300 -0.165 0.000 1.029 33 V CB 0.279 32.017 31.823 -0.140 0.000 0.663 33 V HN -0.488 7.488 8.190 -0.167 0.114 0.454 34 V N -1.072 118.623 119.914 -0.364 0.000 2.453 34 V HA -0.327 3.528 4.120 -0.443 0.000 0.247 34 V C -0.013 175.606 176.094 -0.790 0.000 1.048 34 V CA 3.021 64.954 62.300 -0.611 0.000 1.049 34 V CB 0.935 32.247 31.823 -0.852 0.000 0.672 34 V HN -0.274 7.707 8.190 -0.348 0.000 0.457 35 Y N -3.165 116.907 120.300 -0.380 0.000 2.748 35 Y HA 0.440 4.489 4.550 -0.835 0.000 0.359 35 Y C -2.043 173.306 175.900 -0.917 0.000 1.030 35 Y CA -3.412 54.159 58.100 -0.881 0.000 1.169 35 Y CB -1.238 36.563 38.460 -1.099 0.000 1.127 35 Y HN -0.419 7.570 8.280 -0.486 0.000 0.644 36 P HA 0.065 4.598 4.420 -0.140 -0.198 0.225 36 P C 0.626 177.921 177.300 -0.008 0.000 1.148 36 P CA 1.679 64.707 63.100 -0.120 0.000 0.779 36 P CB 0.115 31.822 31.700 0.011 0.000 0.780 37 W N -3.039 118.337 121.300 0.128 0.000 2.421 37 W HA -0.133 4.571 4.660 0.073 0.000 0.270 37 W C 1.207 177.829 176.519 0.171 0.000 1.233 37 W CA 1.536 58.948 57.345 0.111 0.000 1.226 37 W CB -1.445 28.074 29.460 0.099 0.000 1.121 37 W HN -0.116 8.111 8.180 0.132 0.033 0.579 38 T N -0.228 114.241 114.554 -0.142 0.000 2.929 38 T HA -0.443 4.180 4.350 0.455 0.000 0.271 38 T C 1.971 176.884 174.700 0.355 0.000 1.085 38 T CA 3.057 65.265 62.100 0.181 0.000 1.125 38 T CB -0.576 68.300 68.868 0.013 0.000 0.874 38 T HN -0.174 7.689 8.240 -0.580 0.029 0.494 39 Q N 0.884 120.788 119.800 0.174 0.000 2.364 39 Q HA -0.269 4.218 4.340 0.244 0.000 0.209 39 Q C 2.269 178.372 176.000 0.172 0.000 0.977 39 Q CA 2.290 58.204 55.803 0.185 0.000 0.885 39 Q CB -0.580 28.200 28.738 0.070 0.000 0.941 39 Q HN -0.391 7.788 8.270 0.080 0.139 0.464 40 R N 1.048 121.602 120.500 0.090 0.000 2.139 40 R HA -0.302 3.980 4.340 -0.096 0.000 0.243 40 R C 1.771 177.903 176.300 -0.280 0.000 1.145 40 R CA 2.985 59.000 56.100 -0.141 0.000 0.976 40 R CB -0.149 29.970 30.300 -0.302 0.000 0.866 40 R HN -0.527 7.666 8.270 0.131 0.156 0.449 41 F N -4.831 115.099 119.950 -0.034 0.000 2.765 41 F HA -0.048 4.330 4.527 -0.248 0.000 0.302 41 F C 0.091 175.470 175.800 -0.702 0.000 1.111 41 F CA 1.116 58.900 58.000 -0.360 0.000 1.359 41 F CB 0.681 39.375 39.000 -0.511 0.000 1.097 41 F HN -0.699 7.734 8.300 0.265 0.025 0.577 42 F N -3.215 116.684 119.950 -0.086 0.000 2.841 42 F HA 0.301 4.585 4.527 -0.405 0.000 0.358 42 F C 0.300 176.065 175.800 -0.059 0.000 1.261 42 F CA -1.215 56.601 58.000 -0.306 0.000 1.233 42 F CB 0.094 38.721 39.000 -0.621 0.000 1.008 42 F HN -0.570 7.643 8.300 0.132 0.166 0.507 43 E N 2.864 123.114 120.200 0.084 0.000 2.085 43 E HA -0.393 4.008 4.350 0.085 0.000 0.194 43 E C 1.235 177.916 176.600 0.135 0.000 0.994 43 E CA 3.559 60.011 56.400 0.086 0.000 0.801 43 E CB -0.211 29.505 29.700 0.027 0.000 0.743 43 E HN 0.267 8.635 8.360 0.013 0.000 0.453 44 S N -2.109 113.693 115.700 0.170 0.000 2.603 44 S HA -0.144 4.378 4.470 0.087 0.000 0.229 44 S C 1.292 176.003 174.600 0.184 0.000 0.972 44 S CA 0.885 59.171 58.200 0.144 0.000 0.935 44 S CB -0.415 62.840 63.200 0.091 0.000 0.769 44 S HN -0.008 8.400 8.310 0.163 0.000 0.536 45 F N 1.100 121.046 119.950 -0.007 0.000 2.797 45 F HA -0.186 4.309 4.527 -0.053 0.000 0.302 45 F C 0.245 176.047 175.800 0.003 0.000 1.130 45 F CA 0.877 58.869 58.000 -0.012 0.000 1.387 45 F CB 0.615 39.634 39.000 0.032 0.000 1.107 45 F HN -0.700 7.724 8.300 0.509 0.181 0.577 46 G N -0.540 108.352 108.800 0.154 0.000 2.481 46 G HA2 -0.413 3.586 3.960 0.064 0.000 0.230 46 G HA3 -0.413 3.586 3.960 0.066 0.000 0.230 46 G C -1.685 173.265 174.900 0.083 0.000 1.210 46 G CA -0.650 44.502 45.100 0.086 0.000 0.936 46 G HN -0.900 7.442 8.290 0.159 0.044 0.583 47 D N 3.321 123.757 120.400 0.060 0.000 2.358 47 D HA -0.007 4.658 4.640 0.041 0.000 0.258 47 D C -0.254 176.074 176.300 0.047 0.000 1.223 47 D CA 0.375 54.402 54.000 0.045 0.000 0.886 47 D CB -0.118 40.701 40.800 0.031 0.000 1.120 47 D HN 0.075 8.477 8.370 0.052 0.000 0.482 48 L N 3.614 124.860 121.223 0.039 0.000 3.366 48 L HA 0.239 4.589 4.340 0.016 0.000 0.304 48 L C -0.003 176.872 176.870 0.009 0.000 1.292 48 L CA -0.994 53.859 54.840 0.022 0.000 1.012 48 L CB -0.414 41.659 42.059 0.024 0.000 1.414 48 L HN 0.061 8.314 8.230 0.038 0.000 0.603 49 S N -1.072 114.635 115.700 0.011 0.000 2.461 49 S HA -0.094 4.382 4.470 0.009 0.000 0.228 49 S C 0.413 175.013 174.600 -0.001 0.000 1.005 49 S CA 1.190 59.395 58.200 0.007 0.000 0.942 49 S CB 0.600 63.806 63.200 0.010 0.000 0.776 49 S HN -0.387 8.174 8.310 0.014 -0.242 0.514 50 T N -3.441 111.110 114.554 -0.005 0.000 2.883 50 T HA 0.432 4.773 4.350 -0.014 0.000 0.296 50 T C -2.125 172.564 174.700 -0.020 0.000 1.117 50 T CA -3.806 58.287 62.100 -0.012 0.000 1.006 50 T CB 1.812 70.675 68.868 -0.008 0.000 1.191 50 T HN -0.798 7.440 8.240 -0.003 0.000 0.508 51 P HA -0.212 4.181 4.420 -0.045 0.000 0.215 51 P C 0.993 178.277 177.300 -0.026 0.000 1.153 51 P CA 2.580 65.658 63.100 -0.036 0.000 0.853 51 P CB 0.022 31.696 31.700 -0.043 0.000 0.788 52 D N -2.766 117.623 120.400 -0.018 0.000 2.123 52 D HA -0.248 4.385 4.640 -0.011 0.000 0.196 52 D C 2.062 178.359 176.300 -0.005 0.000 0.992 52 D CA 3.358 57.351 54.000 -0.011 0.000 0.833 52 D CB -0.755 40.040 40.800 -0.008 0.000 0.954 52 D HN 0.260 8.619 8.370 -0.018 0.000 0.455 53 A N -0.537 122.281 122.820 -0.003 0.000 1.877 53 A HA -0.299 4.026 4.320 0.008 0.000 0.216 53 A C 1.774 179.363 177.584 0.009 0.000 1.186 53 A CA 2.960 55.000 52.037 0.005 0.000 0.620 53 A CB -0.278 18.726 19.000 0.008 0.000 0.822 53 A HN -0.479 7.668 8.150 -0.005 0.000 0.443 54 V N -1.392 118.520 119.914 -0.003 0.000 2.255 54 V HA -0.536 3.584 4.120 0.001 0.000 0.247 54 V C 2.938 179.030 176.094 -0.003 0.000 1.051 54 V CA 3.919 66.213 62.300 -0.010 0.000 1.018 54 V CB -0.109 31.689 31.823 -0.042 0.000 0.641 54 V HN -0.340 7.844 8.190 -0.011 0.000 0.445 55 M N -3.845 115.750 119.600 -0.008 0.000 2.319 55 M HA -0.121 4.358 4.480 -0.003 0.000 0.265 55 M C 1.713 178.021 176.300 0.013 0.000 1.068 55 M CA 0.358 55.657 55.300 -0.002 0.000 1.118 55 M CB -0.868 31.728 32.600 -0.007 0.000 1.395 55 M HN -0.129 8.153 8.290 -0.013 0.000 0.435 56 G N -4.856 103.952 108.800 0.014 0.000 3.042 56 G HA2 0.030 4.001 3.960 0.018 0.000 0.212 56 G HA3 0.030 3.999 3.960 0.014 0.000 0.212 56 G C -0.799 174.119 174.900 0.031 0.000 1.166 56 G CA -0.798 44.314 45.100 0.019 0.000 0.767 56 G HN -0.555 7.718 8.290 0.010 0.023 0.546 57 N N 2.680 121.406 118.700 0.043 0.000 2.431 57 N HA 0.150 4.920 4.740 0.050 0.000 0.265 57 N C -0.629 174.928 175.510 0.079 0.000 1.184 57 N CA -2.322 50.764 53.050 0.061 0.000 0.943 57 N CB 0.795 39.331 38.487 0.082 0.000 1.080 57 N HN -0.855 7.382 8.380 0.039 0.167 0.477 58 P HA -0.146 4.317 4.420 0.071 0.000 0.222 58 P C 1.136 178.505 177.300 0.116 0.000 1.147 58 P CA 1.881 65.025 63.100 0.073 0.000 0.790 58 P CB 0.394 32.122 31.700 0.047 0.000 0.780 59 K N -1.835 118.625 120.400 0.100 0.000 2.076 59 K HA -0.151 4.285 4.320 0.194 0.000 0.204 59 K C 2.178 179.010 176.600 0.385 0.000 1.051 59 K CA 3.124 59.469 56.287 0.097 0.000 0.949 59 K CB -0.148 32.099 32.500 -0.422 0.000 0.726 59 K HN -0.180 8.351 8.250 0.068 -0.240 0.443 60 V N 0.412 120.546 119.914 0.367 0.000 2.332 60 V HA -0.567 3.796 4.120 0.406 0.000 0.248 60 V C 1.759 178.015 176.094 0.269 0.000 1.055 60 V CA 4.350 66.841 62.300 0.318 0.000 1.038 60 V CB -0.269 31.630 31.823 0.128 0.000 0.651 60 V HN -0.679 7.875 8.190 0.286 -0.192 0.450 61 K N -1.640 118.878 120.400 0.197 0.000 2.057 61 K HA -0.381 4.014 4.320 0.125 0.000 0.207 61 K C 2.298 179.002 176.600 0.174 0.000 1.049 61 K CA 3.566 59.942 56.287 0.147 0.000 0.931 61 K CB -0.422 32.134 32.500 0.094 0.000 0.714 61 K HN -0.543 7.810 8.250 0.172 0.000 0.440 62 A N -0.625 122.332 122.820 0.228 0.000 1.898 62 A HA -0.169 4.190 4.320 0.064 0.000 0.216 62 A C 2.027 179.700 177.584 0.149 0.000 1.181 62 A CA 2.903 55.035 52.037 0.158 0.000 0.620 62 A CB -0.821 18.284 19.000 0.174 0.000 0.819 62 A HN -0.417 7.889 8.150 0.261 0.000 0.442 63 W N -2.438 118.983 121.300 0.202 0.000 2.518 63 W HA -0.154 4.648 4.660 0.236 0.000 0.273 63 W C 2.035 178.682 176.519 0.212 0.000 1.247 63 W CA 2.588 60.095 57.345 0.270 0.000 1.288 63 W CB 0.606 30.365 29.460 0.499 0.000 1.107 63 W HN 0.170 8.846 8.180 0.827 0.000 0.586 64 G N -1.388 107.620 108.800 0.348 0.000 2.422 64 G HA2 -0.471 3.632 3.960 0.238 0.000 0.218 64 G HA3 -0.471 3.683 3.960 0.178 -0.087 0.218 64 G C 0.338 175.339 174.900 0.170 0.000 1.146 64 G CA 2.028 47.262 45.100 0.223 0.000 0.769 64 G HN 0.136 8.645 8.290 0.365 0.000 0.547 65 K N 1.704 122.176 120.400 0.120 0.000 2.097 65 K HA -0.225 4.147 4.320 0.085 0.000 0.205 65 K C 2.256 178.896 176.600 0.066 0.000 1.050 65 K CA 2.793 59.124 56.287 0.074 0.000 0.938 65 K CB -0.093 32.424 32.500 0.028 0.000 0.718 65 K HN -0.323 7.911 8.250 0.122 0.089 0.442 66 K N -0.755 119.654 120.400 0.016 0.000 2.057 66 K HA -0.287 4.018 4.320 -0.025 0.000 0.206 66 K C 2.513 179.183 176.600 0.117 0.000 1.050 66 K CA 3.092 59.374 56.287 -0.008 0.000 0.935 66 K CB -0.050 32.352 32.500 -0.163 0.000 0.715 66 K HN -0.676 7.478 8.250 -0.013 0.088 0.439 67 V N 0.184 120.222 119.914 0.206 0.000 2.287 67 V HA -0.510 3.766 4.120 0.261 0.000 0.248 67 V C 1.811 178.151 176.094 0.410 0.000 1.053 67 V CA 4.066 66.545 62.300 0.299 0.000 1.027 67 V CB -0.146 31.886 31.823 0.348 0.000 0.646 67 V HN -0.182 8.139 8.190 0.218 0.000 0.447 68 L N -1.318 120.124 121.223 0.365 0.000 2.093 68 L HA -0.268 4.446 4.340 0.623 0.000 0.208 68 L C 1.975 179.111 176.870 0.444 0.000 1.085 68 L CA 2.836 57.949 54.840 0.455 0.000 0.755 68 L CB -0.442 41.782 42.059 0.276 0.000 0.904 68 L HN -0.309 8.088 8.230 0.277 0.000 0.435 69 G N -2.031 106.929 108.800 0.266 0.000 2.442 69 G HA2 -0.439 3.648 3.960 0.211 0.000 0.219 69 G HA3 -0.439 3.591 3.960 0.117 0.000 0.219 69 G C 0.435 175.427 174.900 0.154 0.000 1.141 69 G CA 2.271 47.484 45.100 0.187 0.000 0.763 69 G HN -0.192 8.219 8.290 0.211 0.006 0.554 70 A N 1.652 124.551 122.820 0.133 0.000 1.929 70 A HA -0.106 4.139 4.320 -0.125 0.000 0.216 70 A C 1.937 179.564 177.584 0.071 0.000 1.176 70 A CA 2.435 54.470 52.037 -0.003 0.000 0.628 70 A CB -0.666 18.329 19.000 -0.008 0.000 0.816 70 A HN -0.474 7.681 8.150 0.167 0.094 0.444 71 F N -1.695 118.383 119.950 0.213 0.000 2.134 71 F HA -0.422 4.221 4.527 0.194 0.000 0.299 71 F C 2.045 177.841 175.800 -0.006 0.000 1.097 71 F CA 4.369 62.458 58.000 0.149 0.000 1.264 71 F CB -0.159 38.941 39.000 0.167 0.000 1.001 71 F HN -0.405 8.179 8.300 0.473 0.000 0.479 72 S N -0.262 115.623 115.700 0.309 0.000 2.368 72 S HA -0.433 4.054 4.470 0.027 0.000 0.225 72 S C 1.895 176.545 174.600 0.084 0.000 1.030 72 S CA 3.480 61.809 58.200 0.214 0.000 0.999 72 S CB -0.265 63.199 63.200 0.440 0.000 0.844 72 S HN -0.110 8.458 8.310 0.430 0.000 0.459 73 D N 1.225 121.661 120.400 0.059 0.000 2.144 73 D HA -0.190 4.491 4.640 0.068 0.000 0.199 73 D C 2.224 178.534 176.300 0.018 0.000 0.984 73 D CA 2.694 56.690 54.000 -0.006 0.000 0.834 73 D CB -0.195 40.497 40.800 -0.180 0.000 0.955 73 D HN -0.630 7.778 8.370 0.064 0.000 0.465 74 G N -0.978 107.826 108.800 0.007 0.000 2.418 74 G HA2 -0.248 3.802 3.960 0.151 0.000 0.217 74 G HA3 -0.248 3.868 3.960 0.260 0.000 0.217 74 G C 2.282 177.224 174.900 0.069 0.000 1.158 74 G CA 1.887 47.070 45.100 0.138 0.000 0.771 74 G HN -0.300 7.914 8.290 0.013 0.084 0.545 75 L N 1.303 122.505 121.223 -0.034 0.000 2.127 75 L HA -0.337 3.924 4.340 -0.132 0.000 0.211 75 L C 2.064 178.891 176.870 -0.072 0.000 1.089 75 L CA 2.478 57.240 54.840 -0.129 0.000 0.757 75 L CB -0.227 41.631 42.059 -0.334 0.000 0.899 75 L HN -0.172 8.023 8.230 -0.059 0.000 0.434 76 A N -3.620 119.199 122.820 -0.001 0.000 2.119 76 A HA -0.140 4.107 4.320 -0.122 0.000 0.216 76 A C 0.175 177.593 177.584 -0.276 0.000 1.152 76 A CA 1.718 53.706 52.037 -0.082 0.000 0.708 76 A CB 0.054 19.046 19.000 -0.013 0.000 0.805 76 A HN -0.532 7.544 8.150 0.052 0.105 0.460 77 H N -3.543 115.491 119.070 -0.060 0.000 2.624 77 H HA 0.343 4.867 4.556 -0.054 0.000 0.233 77 H C -0.265 175.035 175.328 -0.047 0.000 1.376 77 H CA -1.219 54.796 56.048 -0.055 0.000 1.137 77 H CB -0.923 28.800 29.762 -0.065 0.000 1.867 77 H HN -0.583 7.643 8.280 0.180 0.162 0.547 78 L N 1.066 122.293 121.223 0.007 0.000 2.265 78 L HA -0.245 4.093 4.340 -0.003 0.000 0.215 78 L C 0.822 177.667 176.870 -0.041 0.000 1.117 78 L CA 2.388 57.214 54.840 -0.023 0.000 0.782 78 L CB -0.083 41.937 42.059 -0.066 0.000 0.914 78 L HN 0.244 8.452 8.230 -0.036 0.000 0.441 79 D N -4.075 116.305 120.400 -0.033 0.000 2.350 79 D HA 0.054 4.641 4.640 -0.088 0.000 0.213 79 D C 0.200 176.485 176.300 -0.026 0.000 1.031 79 D CA 1.273 55.242 54.000 -0.052 0.000 0.861 79 D CB 0.043 40.813 40.800 -0.049 0.000 0.926 79 D HN 0.041 8.349 8.370 -0.021 0.049 0.520 80 N N -0.103 118.606 118.700 0.015 0.000 2.664 80 N HA 0.187 4.920 4.740 -0.012 0.000 0.287 80 N C -0.543 174.985 175.510 0.030 0.000 1.869 80 N CA -0.762 52.295 53.050 0.013 0.000 0.832 80 N CB 0.047 38.548 38.487 0.024 0.000 1.293 80 N HN -0.543 7.714 8.380 0.045 0.150 0.498 81 L N 0.987 122.238 121.223 0.048 0.000 2.131 81 L HA -0.399 4.072 4.340 0.220 0.000 0.210 81 L C 1.375 178.334 176.870 0.148 0.000 1.092 81 L CA 3.108 58.036 54.840 0.147 0.000 0.759 81 L CB -0.163 41.947 42.059 0.085 0.000 0.903 81 L HN 0.173 8.416 8.230 0.021 0.000 0.435 82 K N -1.363 119.044 120.400 0.012 0.000 2.026 82 K HA -0.386 3.912 4.320 -0.037 0.000 0.208 82 K C 1.308 177.873 176.600 -0.059 0.000 1.048 82 K CA 2.679 58.929 56.287 -0.062 0.000 0.929 82 K CB -0.552 31.832 32.500 -0.194 0.000 0.713 82 K HN 0.039 8.257 8.250 -0.017 0.021 0.439 83 G N -4.089 104.668 108.800 -0.070 0.000 2.403 83 G HA2 -0.099 3.810 3.960 -0.086 0.000 0.216 83 G HA3 -0.099 3.809 3.960 -0.087 0.000 0.216 83 G C 2.063 176.883 174.900 -0.133 0.000 1.154 83 G CA 1.308 46.355 45.100 -0.089 0.000 0.784 83 G HN -0.586 7.951 8.290 -0.063 -0.285 0.538 84 T N 4.705 119.158 114.554 -0.168 0.000 2.720 84 T HA -0.353 3.749 4.350 -0.414 0.000 0.268 84 T C 0.684 175.100 174.700 -0.473 0.000 1.037 84 T CA 4.409 66.284 62.100 -0.375 0.000 1.144 84 T CB 0.251 68.855 68.868 -0.440 0.000 0.864 84 T HN -0.584 7.589 8.240 -0.111 0.000 0.444 85 F N -2.911 116.938 119.950 -0.168 0.000 2.641 85 F HA 0.141 4.563 4.527 -0.175 0.000 0.302 85 F C 0.259 175.979 175.800 -0.132 0.000 1.098 85 F CA -0.295 57.603 58.000 -0.170 0.000 1.318 85 F CB -0.311 38.566 39.000 -0.205 0.000 1.035 85 F HN -0.475 7.869 8.300 0.090 0.010 0.551 86 A N 0.979 123.793 122.820 -0.009 0.000 1.865 86 A HA -0.384 3.950 4.320 0.024 0.000 0.217 86 A C 1.410 178.988 177.584 -0.011 0.000 1.191 86 A CA 4.171 56.205 52.037 -0.005 0.000 0.623 86 A CB -0.547 18.434 19.000 -0.031 0.000 0.826 86 A HN -0.706 7.352 8.150 -0.057 0.058 0.444 87 T N -4.364 110.167 114.554 -0.039 0.000 2.904 87 T HA -0.270 4.236 4.350 -0.026 -0.171 0.267 87 T C 1.880 176.578 174.700 -0.005 0.000 1.059 87 T CA 2.590 64.671 62.100 -0.031 0.000 1.137 87 T CB -0.281 68.558 68.868 -0.047 0.000 0.879 87 T HN -0.011 8.190 8.240 -0.065 0.000 0.467 88 L N 0.429 121.661 121.223 0.014 0.000 2.201 88 L HA -0.184 4.235 4.340 0.131 0.000 0.212 88 L C 2.030 178.970 176.870 0.118 0.000 1.105 88 L CA 2.640 57.543 54.840 0.106 0.000 0.775 88 L CB -0.494 41.634 42.059 0.115 0.000 0.913 88 L HN -0.388 7.833 8.230 -0.014 0.000 0.440 89 S N 0.565 116.281 115.700 0.026 0.000 2.368 89 S HA -0.221 4.327 4.470 -0.076 -0.123 0.224 89 S C 2.115 176.680 174.600 -0.059 0.000 1.029 89 S CA 3.033 61.210 58.200 -0.037 0.000 0.988 89 S CB -0.544 62.640 63.200 -0.025 0.000 0.838 89 S HN 0.106 8.324 8.310 0.029 0.110 0.462 90 E N 2.017 122.191 120.200 -0.042 0.000 2.077 90 E HA -0.323 4.121 4.350 -0.093 -0.150 0.193 90 E C 2.369 178.919 176.600 -0.084 0.000 0.989 90 E CA 2.764 59.123 56.400 -0.068 0.000 0.800 90 E CB -0.116 29.557 29.700 -0.044 0.000 0.746 90 E HN -0.616 7.731 8.360 -0.022 0.000 0.452 91 L N -0.471 120.719 121.223 -0.055 0.000 1.994 91 L HA -0.363 3.902 4.340 -0.124 0.000 0.208 91 L C 1.859 178.621 176.870 -0.181 0.000 1.071 91 L CA 3.153 57.922 54.840 -0.118 0.000 0.745 91 L CB -0.123 41.860 42.059 -0.126 0.000 0.892 91 L HN -0.505 7.631 8.230 -0.019 0.083 0.431 92 H N -2.659 116.350 119.070 -0.102 0.000 2.470 92 H HA -0.117 4.404 4.556 -0.059 0.000 0.289 92 H C 2.324 177.637 175.328 -0.025 0.000 1.033 92 H CA 4.615 60.633 56.048 -0.050 0.000 1.331 92 H CB 0.114 29.844 29.762 -0.054 0.000 1.414 92 H HN -0.208 8.156 8.280 0.141 0.000 0.545 93 C N -1.564 117.695 119.300 -0.069 0.000 2.823 93 C HA 0.096 4.430 4.460 -0.210 0.000 0.284 93 C C 1.436 176.268 174.990 -0.263 0.000 1.358 93 C CA 2.137 60.943 59.018 -0.355 0.000 1.697 93 C CB 0.272 27.457 27.740 -0.925 0.000 2.137 93 C HN 0.011 8.184 8.230 -0.094 0.000 0.564 94 D N -0.054 120.197 120.400 -0.248 0.000 2.144 94 D HA -0.237 4.347 4.640 -0.093 0.000 0.200 94 D C 1.118 177.211 176.300 -0.345 0.000 0.978 94 D CA 2.945 56.834 54.000 -0.185 0.000 0.833 94 D CB -0.462 40.275 40.800 -0.106 0.000 0.961 94 D HN -0.479 7.750 8.370 -0.235 0.000 0.470 95 K N -3.289 116.912 120.400 -0.332 0.000 2.099 95 K HA -0.027 4.147 4.320 -0.244 0.000 0.203 95 K C 1.819 178.158 176.600 -0.435 0.000 1.047 95 K CA 0.700 56.802 56.287 -0.308 0.000 0.963 95 K CB 0.921 33.323 32.500 -0.163 0.000 0.759 95 K HN -0.646 7.449 8.250 -0.259 0.000 0.451 96 L N -5.183 115.836 121.223 -0.339 0.000 2.416 96 L HA -0.066 4.276 4.340 0.004 0.000 0.216 96 L C -0.274 176.660 176.870 0.107 0.000 1.098 96 L CA 0.199 54.983 54.840 -0.094 0.000 0.840 96 L CB 0.999 42.984 42.059 -0.123 0.000 0.981 96 L HN -0.518 7.532 8.230 -0.300 0.000 0.462 97 H N -5.417 113.772 119.070 0.199 0.000 2.770 97 H HA -0.361 4.522 4.556 0.332 -0.128 0.309 97 H C -0.487 175.034 175.328 0.321 0.000 1.206 97 H CA 0.656 56.874 56.048 0.283 0.000 1.147 97 H CB -3.554 26.348 29.762 0.233 0.000 1.422 97 H HN -0.585 7.494 8.280 -0.335 0.000 0.420 98 V N -0.165 119.894 119.914 0.242 0.000 2.521 98 V HA -0.134 3.990 4.120 0.007 0.000 0.286 98 V C 0.105 176.234 176.094 0.058 0.000 1.034 98 V CA 0.401 62.705 62.300 0.006 0.000 1.045 98 V CB 0.430 32.157 31.823 -0.160 0.000 0.974 98 V HN -0.453 7.848 8.190 0.184 0.000 0.480 99 D N 8.643 129.047 120.400 0.008 0.000 2.425 99 D HA 0.026 4.525 4.640 -0.236 0.000 0.247 99 D C 0.347 176.359 176.300 -0.481 0.000 1.147 99 D CA -1.672 52.218 54.000 -0.184 0.000 0.879 99 D CB 1.589 42.320 40.800 -0.115 0.000 1.179 99 D HN 0.272 8.717 8.370 0.125 0.000 0.456 100 P HA -0.144 3.034 4.420 -2.070 0.000 0.225 100 P C 1.216 178.176 177.300 -0.566 0.000 1.148 100 P CA 1.444 63.991 63.100 -0.921 0.000 0.779 100 P CB 0.160 31.694 31.700 -0.277 0.000 0.780 101 E N 0.032 120.047 120.200 -0.307 0.000 2.160 101 E HA -0.361 3.926 4.350 -0.104 0.000 0.195 101 E C 1.705 178.235 176.600 -0.117 0.000 0.991 101 E CA 2.941 59.251 56.400 -0.150 0.000 0.810 101 E CB -0.555 29.086 29.700 -0.099 0.000 0.742 101 E HN -0.078 8.388 8.360 -0.284 -0.276 0.466 102 N N -1.439 117.162 118.700 -0.164 0.000 2.381 102 N HA -0.199 4.552 4.740 0.018 0.000 0.182 102 N C 2.158 177.737 175.510 0.116 0.000 1.025 102 N CA 2.783 55.826 53.050 -0.011 0.000 0.888 102 N CB -0.258 38.271 38.487 0.069 0.000 0.965 102 N HN -0.259 7.947 8.380 -0.259 0.018 0.438 103 F N -0.797 119.169 119.950 0.027 0.000 2.186 103 F HA -0.171 4.359 4.527 0.006 0.000 0.299 103 F C 1.993 177.814 175.800 0.035 0.000 1.090 103 F CA 1.409 59.413 58.000 0.007 0.000 1.307 103 F CB -1.146 37.830 39.000 -0.040 0.000 1.019 103 F HN -0.381 7.585 8.300 -0.341 0.130 0.489 104 R N 0.383 120.992 120.500 0.182 0.000 2.075 104 R HA -0.334 4.093 4.340 0.144 0.000 0.232 104 R C 2.007 178.361 176.300 0.091 0.000 1.126 104 R CA 3.669 59.841 56.100 0.120 0.000 0.963 104 R CB -0.238 30.101 30.300 0.065 0.000 0.858 104 R HN -0.726 7.616 8.270 0.120 0.000 0.435 105 L N -1.850 119.389 121.223 0.027 0.000 2.017 105 L HA -0.292 4.018 4.340 -0.049 0.000 0.208 105 L C 2.125 179.042 176.870 0.078 0.000 1.073 105 L CA 3.006 57.815 54.840 -0.052 0.000 0.745 105 L CB -0.360 41.496 42.059 -0.338 0.000 0.894 105 L HN -0.359 7.806 8.230 0.011 0.072 0.432 106 L N -1.212 120.091 121.223 0.133 0.000 2.083 106 L HA -0.240 4.194 4.340 0.157 0.000 0.209 106 L C 1.686 178.658 176.870 0.171 0.000 1.083 106 L CA 2.529 57.473 54.840 0.174 0.000 0.752 106 L CB -0.720 41.473 42.059 0.223 0.000 0.899 106 L HN -0.085 8.232 8.230 0.146 0.000 0.433 107 G N -1.793 107.134 108.800 0.211 0.000 2.446 107 G HA2 -0.477 3.615 3.960 0.219 0.000 0.217 107 G HA3 -0.477 3.622 3.960 0.231 0.000 0.217 107 G C 1.084 176.053 174.900 0.115 0.000 1.168 107 G CA 2.440 47.662 45.100 0.202 0.000 0.771 107 G HN -0.043 8.381 8.290 0.223 0.000 0.551 108 N N 1.962 120.733 118.700 0.118 0.000 2.270 108 N HA -0.146 4.658 4.740 0.107 0.000 0.181 108 N C 2.447 178.003 175.510 0.077 0.000 1.016 108 N CA 2.379 55.492 53.050 0.106 0.000 0.870 108 N CB -0.216 38.340 38.487 0.116 0.000 0.979 108 N HN -0.535 7.920 8.380 0.124 0.000 0.431 109 V N 1.391 121.360 119.914 0.092 0.000 2.295 109 V HA -0.479 3.665 4.120 0.040 0.000 0.246 109 V C 1.495 177.565 176.094 -0.039 0.000 1.049 109 V CA 4.522 66.851 62.300 0.048 0.000 1.024 109 V CB -0.107 31.768 31.823 0.086 0.000 0.648 109 V HN -0.186 8.077 8.190 0.121 0.000 0.447 110 L N 0.218 121.410 121.223 -0.051 0.000 2.043 110 L HA -0.350 3.894 4.340 -0.161 0.000 0.212 110 L C 1.454 178.220 176.870 -0.173 0.000 1.075 110 L CA 3.181 57.935 54.840 -0.143 0.000 0.752 110 L CB -0.472 41.443 42.059 -0.240 0.000 0.891 110 L HN -0.119 8.102 8.230 -0.015 0.000 0.432 111 V N -0.874 118.985 119.914 -0.090 0.000 2.332 111 V HA -0.614 3.411 4.120 -0.158 0.000 0.248 111 V C 1.725 177.675 176.094 -0.240 0.000 1.055 111 V CA 4.676 66.918 62.300 -0.097 0.000 1.038 111 V CB -0.439 31.452 31.823 0.113 0.000 0.651 111 V HN -0.343 7.754 8.190 -0.028 0.076 0.450 112 C N -1.022 118.195 119.300 -0.138 0.000 2.425 112 C HA -0.395 3.986 4.460 -0.131 0.000 0.277 112 C C 2.057 176.908 174.990 -0.232 0.000 1.280 112 C CA 5.588 64.516 59.018 -0.151 0.000 1.744 112 C CB -0.975 26.710 27.740 -0.091 0.000 1.989 112 C HN -0.336 7.771 8.230 -0.079 0.075 0.491 113 V N 1.486 121.237 119.914 -0.271 0.000 2.358 113 V HA -0.533 3.400 4.120 -0.312 0.000 0.246 113 V C 1.817 177.591 176.094 -0.533 0.000 1.047 113 V CA 4.636 66.707 62.300 -0.382 0.000 1.035 113 V CB -0.104 31.489 31.823 -0.382 0.000 0.658 113 V HN -0.278 7.769 8.190 -0.237 0.000 0.452 114 L N -1.417 119.494 121.223 -0.521 0.000 2.046 114 L HA -0.445 3.733 4.340 -0.269 0.000 0.208 114 L C 2.031 178.522 176.870 -0.631 0.000 1.077 114 L CA 3.179 57.706 54.840 -0.521 0.000 0.747 114 L CB -0.860 40.769 42.059 -0.716 0.000 0.896 114 L HN -0.331 7.607 8.230 -0.487 0.000 0.432 115 A N -1.509 120.763 122.820 -0.913 0.000 1.902 115 A HA -0.412 3.637 4.320 -0.452 0.000 0.217 115 A C 1.621 179.165 177.584 -0.066 0.000 1.181 115 A CA 3.039 54.791 52.037 -0.475 0.000 0.623 115 A CB -0.856 18.010 19.000 -0.223 0.000 0.818 115 A HN -0.178 7.411 8.150 -0.935 0.000 0.443 116 H N -0.596 118.364 119.070 -0.183 0.000 2.353 116 H HA -0.368 4.171 4.556 -0.029 0.000 0.300 116 H C 1.708 177.061 175.328 0.042 0.000 1.090 116 H CA 2.858 58.876 56.048 -0.050 0.000 1.327 116 H CB 0.394 30.126 29.762 -0.051 0.000 1.383 116 H HN -0.458 7.786 8.280 -0.060 0.000 0.508 117 H N -3.227 115.659 119.070 -0.307 0.000 2.436 117 H HA -0.112 4.099 4.556 -0.575 0.000 0.294 117 H C 1.108 176.088 175.328 -0.580 0.000 1.048 117 H CA 1.665 57.381 56.048 -0.553 0.000 1.353 117 H CB 0.357 29.704 29.762 -0.692 0.000 1.414 117 H HN -0.279 7.955 8.280 -0.077 0.000 0.536 118 F N -3.501 116.453 119.950 0.008 0.000 2.720 118 F HA 0.059 4.602 4.527 0.027 0.000 0.301 118 F C 0.225 176.066 175.800 0.070 0.000 1.103 118 F CA 1.010 59.035 58.000 0.042 0.000 1.291 118 F CB 1.329 40.385 39.000 0.095 0.000 1.086 118 F HN -0.380 7.957 8.300 0.062 0.000 0.592 119 G N 0.670 109.587 108.800 0.195 0.000 2.622 119 G HA2 -0.513 3.588 3.960 0.139 0.000 0.307 119 G HA3 -0.513 3.516 3.960 0.116 0.000 0.307 119 G C -0.134 174.889 174.900 0.206 0.000 1.226 119 G CA 1.169 46.365 45.100 0.160 0.000 0.997 119 G HN -0.182 8.195 8.290 0.145 0.000 0.551 120 K N 2.478 122.969 120.400 0.151 0.000 2.280 120 K HA -0.278 4.121 4.320 0.132 0.000 0.202 120 K C 0.675 177.362 176.600 0.145 0.000 1.047 120 K CA 2.040 58.406 56.287 0.132 0.000 0.942 120 K CB -0.547 32.006 32.500 0.088 0.000 0.739 120 K HN 0.297 8.621 8.250 0.123 0.000 0.457 121 E N -1.332 118.978 120.200 0.183 0.000 2.268 121 E HA -0.236 4.179 4.350 0.110 0.000 0.195 121 E C 0.857 177.563 176.600 0.177 0.000 0.995 121 E CA 1.405 57.903 56.400 0.164 0.000 0.836 121 E CB 0.280 30.098 29.700 0.196 0.000 0.763 121 E HN -0.732 7.722 8.360 0.203 0.028 0.491 122 F N 1.908 121.915 119.950 0.095 0.000 2.659 122 F HA 0.082 4.634 4.527 0.041 0.000 0.360 122 F C -0.798 175.042 175.800 0.067 0.000 1.218 122 F CA -1.387 56.656 58.000 0.072 0.000 1.317 122 F CB -0.883 38.179 39.000 0.103 0.000 1.697 122 F HN -0.692 7.726 8.300 0.409 0.128 0.637 123 T N 1.002 115.504 114.554 -0.087 0.000 2.748 123 T HA 0.242 4.589 4.350 -0.005 0.000 0.304 123 T C -0.623 173.984 174.700 -0.155 0.000 1.041 123 T CA -2.177 59.879 62.100 -0.074 0.000 1.033 123 T CB 0.222 69.059 68.868 -0.051 0.000 0.995 123 T HN -0.637 7.509 8.240 -0.078 0.048 0.536 124 P HA 0.107 4.486 4.420 -0.068 0.000 0.216 124 P C -0.602 176.640 177.300 -0.096 0.000 1.150 124 P CA 3.333 66.392 63.100 -0.068 0.000 0.837 124 P CB -1.594 30.095 31.700 -0.017 0.000 0.786 125 P HA -0.115 4.268 4.420 -0.060 0.000 0.219 125 P C 1.247 178.477 177.300 -0.117 0.000 1.150 125 P CA 2.564 65.617 63.100 -0.079 0.000 0.814 125 P CB -0.285 31.382 31.700 -0.055 0.000 0.787 126 V N -0.677 119.126 119.914 -0.185 0.000 2.307 126 V HA -0.573 3.474 4.120 -0.121 0.000 0.245 126 V C 1.537 177.444 176.094 -0.312 0.000 1.045 126 V CA 4.471 66.636 62.300 -0.225 0.000 1.024 126 V CB -0.270 31.386 31.823 -0.278 0.000 0.651 126 V HN -0.798 7.277 8.190 -0.192 0.000 0.449 127 Q N -0.240 119.193 119.800 -0.612 0.000 2.112 127 Q HA -0.447 3.606 4.340 -0.479 0.000 0.206 127 Q C 2.010 177.991 176.000 -0.031 0.000 0.987 127 Q CA 3.591 59.151 55.803 -0.405 0.000 0.858 127 Q CB -0.101 28.513 28.738 -0.206 0.000 0.905 127 Q HN -0.035 7.834 8.270 -0.670 0.000 0.420 128 A N -1.826 120.963 122.820 -0.051 0.000 1.933 128 A HA -0.282 4.055 4.320 0.029 0.000 0.218 128 A C 1.835 179.422 177.584 0.006 0.000 1.175 128 A CA 2.739 54.776 52.037 -0.000 0.000 0.628 128 A CB -0.983 18.009 19.000 -0.014 0.000 0.814 128 A HN -0.365 7.645 8.150 -0.092 0.085 0.444 129 A N -1.573 121.227 122.820 -0.033 0.000 1.898 129 A HA -0.233 4.046 4.320 -0.069 0.000 0.216 129 A C 1.983 179.507 177.584 -0.100 0.000 1.181 129 A CA 2.728 54.714 52.037 -0.085 0.000 0.620 129 A CB -0.659 18.252 19.000 -0.149 0.000 0.819 129 A HN -0.557 7.562 8.150 -0.052 0.000 0.442 130 Y N -1.824 118.485 120.300 0.015 0.000 2.293 130 Y HA -0.395 4.200 4.550 0.074 0.000 0.291 130 Y C 2.518 178.475 175.900 0.095 0.000 1.137 130 Y CA 4.355 62.508 58.100 0.089 0.000 1.202 130 Y CB -0.211 38.381 38.460 0.220 0.000 0.990 130 Y HN -0.433 7.943 8.280 0.159 0.000 0.537 131 Q N -1.842 118.086 119.800 0.214 0.000 2.167 131 Q HA -0.346 4.104 4.340 0.184 0.000 0.202 131 Q C 2.454 178.517 176.000 0.105 0.000 0.970 131 Q CA 2.757 58.655 55.803 0.158 0.000 0.855 131 Q CB -0.874 27.937 28.738 0.121 0.000 0.911 131 Q HN 0.062 8.447 8.270 0.192 0.000 0.438 132 K N 0.207 120.644 120.400 0.062 0.000 2.057 132 K HA -0.246 4.102 4.320 0.047 0.000 0.206 132 K C 2.587 179.205 176.600 0.029 0.000 1.050 132 K CA 3.206 59.515 56.287 0.036 0.000 0.935 132 K CB -0.151 32.355 32.500 0.010 0.000 0.715 132 K HN -0.681 7.500 8.250 0.049 0.098 0.439 133 V N -0.442 119.483 119.914 0.019 0.000 2.307 133 V HA -0.445 3.670 4.120 -0.009 0.000 0.245 133 V C 1.709 177.871 176.094 0.113 0.000 1.045 133 V CA 4.332 66.647 62.300 0.025 0.000 1.024 133 V CB 0.077 31.882 31.823 -0.029 0.000 0.651 133 V HN -0.596 7.518 8.190 0.003 0.078 0.449 134 V N -3.984 116.045 119.914 0.192 0.000 2.667 134 V HA -0.389 3.959 4.120 0.378 0.000 0.252 134 V C 1.327 177.508 176.094 0.145 0.000 1.065 134 V CA 3.612 66.069 62.300 0.261 0.000 1.083 134 V CB -0.557 31.431 31.823 0.274 0.000 0.692 134 V HN -0.177 8.130 8.190 0.196 0.000 0.468 135 A N 0.030 122.911 122.820 0.103 0.000 1.898 135 A HA -0.237 4.132 4.320 0.081 0.000 0.216 135 A C 1.951 179.551 177.584 0.026 0.000 1.181 135 A CA 3.427 55.507 52.037 0.070 0.000 0.620 135 A CB -0.937 18.103 19.000 0.066 0.000 0.819 135 A HN -0.024 8.190 8.150 0.106 0.000 0.442 136 G N -1.479 107.322 108.800 0.002 0.000 2.418 136 G HA2 -0.333 3.609 3.960 -0.029 0.000 0.217 136 G HA3 -0.333 3.597 3.960 -0.048 0.000 0.217 136 G C 1.309 176.119 174.900 -0.151 0.000 1.158 136 G CA 1.963 47.035 45.100 -0.047 0.000 0.771 136 G HN -0.383 7.837 8.290 0.017 0.080 0.545 137 V N 2.619 122.394 119.914 -0.231 0.000 2.358 137 V HA -0.506 3.087 4.120 -0.879 0.000 0.246 137 V C 1.535 177.301 176.094 -0.546 0.000 1.047 137 V CA 3.870 65.795 62.300 -0.626 0.000 1.035 137 V CB -0.148 31.245 31.823 -0.716 0.000 0.658 137 V HN -0.380 7.732 8.190 -0.131 0.000 0.452 138 A N -0.907 121.790 122.820 -0.206 0.000 1.908 138 A HA -0.398 3.889 4.320 -0.056 0.000 0.218 138 A C 2.048 179.665 177.584 0.055 0.000 1.181 138 A CA 3.530 55.557 52.037 -0.017 0.000 0.627 138 A CB -0.797 18.286 19.000 0.139 0.000 0.818 138 A HN -0.136 7.951 8.150 -0.105 0.000 0.445 139 N N -2.143 116.582 118.700 0.041 0.000 2.188 139 N HA -0.313 4.589 4.740 0.270 0.000 0.184 139 N C 1.249 176.824 175.510 0.109 0.000 1.018 139 N CA 2.644 55.784 53.050 0.151 0.000 0.858 139 N CB -0.399 38.161 38.487 0.121 0.000 0.989 139 N HN -0.360 8.023 8.380 0.005 0.000 0.426 140 A N -1.452 121.324 122.820 -0.073 0.000 1.898 140 A HA -0.212 4.112 4.320 0.007 0.000 0.216 140 A C 2.245 179.759 177.584 -0.118 0.000 1.181 140 A CA 2.509 54.489 52.037 -0.094 0.000 0.620 140 A CB -0.066 18.821 19.000 -0.188 0.000 0.819 140 A HN -0.544 7.509 8.150 -0.161 0.000 0.442 141 L N -1.238 119.796 121.223 -0.314 0.000 2.275 141 L HA -0.187 3.983 4.340 -0.282 0.000 0.215 141 L C 0.346 177.136 176.870 -0.133 0.000 1.119 141 L CA 1.807 56.415 54.840 -0.386 0.000 0.790 141 L CB 0.131 41.646 42.059 -0.906 0.000 0.919 141 L HN -0.058 7.924 8.230 -0.413 0.000 0.443 142 A N -4.813 118.047 122.820 0.067 0.000 2.307 142 A HA 0.021 4.516 4.320 0.292 0.000 0.218 142 A C 1.172 178.542 177.584 -0.356 0.000 1.228 142 A CA -0.267 51.833 52.037 0.104 0.000 0.857 142 A CB -1.096 18.044 19.000 0.234 0.000 0.897 142 A HN -0.567 7.395 8.150 0.068 0.229 0.495 143 H N 2.404 121.311 119.070 -0.271 0.000 2.387 143 H HA -0.229 4.186 4.556 -0.235 0.000 0.299 143 H C 2.155 177.364 175.328 -0.199 0.000 1.099 143 H CA 3.219 59.138 56.048 -0.215 0.000 1.315 143 H CB 0.125 29.863 29.762 -0.040 0.000 1.380 143 H HN -0.336 7.794 8.280 0.021 0.163 0.513 144 K N -1.440 118.793 120.400 -0.278 0.000 2.360 144 K HA -0.179 3.978 4.320 -0.272 0.000 0.201 144 K C 1.391 177.822 176.600 -0.282 0.000 1.046 144 K CA 1.072 57.181 56.287 -0.298 0.000 0.945 144 K CB -1.229 31.113 32.500 -0.264 0.000 0.750 144 K HN -0.404 7.715 8.250 -0.200 0.011 0.464 145 Y N -3.396 116.770 120.300 -0.223 0.000 2.490 145 Y HA -0.116 4.400 4.550 -0.057 0.000 0.285 145 Y C 0.859 176.731 175.900 -0.047 0.000 1.117 145 Y CA 0.448 58.471 58.100 -0.129 0.000 1.262 145 Y CB 0.332 38.724 38.460 -0.113 0.000 1.043 145 Y HN -0.387 7.535 8.280 -0.341 0.153 0.553 146 H N 0.000 119.085 119.070 0.025 0.000 2.539 146 H HA 0.000 4.573 4.556 0.029 0.000 0.296 146 H CA 0.000 56.034 56.048 -0.023 0.000 1.023 146 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 146 H HN 0.000 7.987 8.280 -0.226 0.157 0.496