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 2h35_1_B DATA FIRST_RESID 1 DATA SEQUENCE VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST DATA SEQUENCE PDAVMGNPKV KAHGKKVLGA 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 3.769 4.120 -0.585 0.000 0.244 1 V C 0.000 175.908 176.094 -0.309 0.000 1.182 1 V CA 0.000 62.087 62.300 -0.356 0.000 1.235 1 V CB 0.000 31.704 31.823 -0.198 0.000 1.184 2 H N 1.526 120.560 119.070 -0.061 0.000 5.312 2 H HA 0.188 4.706 4.556 -0.063 0.000 0.786 2 H C -2.084 173.214 175.328 -0.050 0.000 1.978 2 H CA -0.689 55.325 56.048 -0.056 0.000 1.573 2 H CB -0.568 29.165 29.762 -0.047 0.000 3.839 2 H HN -0.061 7.834 8.280 -0.640 0.000 0.562 3 L N 1.555 122.768 121.223 -0.016 0.000 2.277 3 L HA 0.463 4.818 4.340 0.025 0.000 0.254 3 L C -0.222 176.640 176.870 -0.013 0.000 1.044 3 L CA -1.799 53.031 54.840 -0.017 0.000 0.842 3 L CB 2.515 44.532 42.059 -0.069 0.000 1.422 3 L HN -0.282 7.924 8.230 -0.040 0.000 0.422 4 T N -1.884 112.662 114.554 -0.012 0.000 2.882 4 T HA 0.393 4.735 4.350 -0.014 0.000 0.287 4 T C -0.261 174.422 174.700 -0.028 0.000 0.992 4 T CA -2.783 59.308 62.100 -0.016 0.000 1.076 4 T CB 0.542 69.405 68.868 -0.009 0.000 0.961 4 T HN 0.375 8.609 8.240 -0.009 0.000 0.490 5 P HA -0.306 4.085 4.420 -0.048 0.000 0.219 5 P C 1.019 178.300 177.300 -0.032 0.000 1.145 5 P CA 2.449 65.527 63.100 -0.036 0.000 0.813 5 P CB 0.072 31.754 31.700 -0.030 0.000 0.771 6 E N -3.763 116.423 120.200 -0.024 0.000 2.033 6 E HA -0.137 4.202 4.350 -0.017 0.000 0.189 6 E C 2.173 178.761 176.600 -0.019 0.000 0.979 6 E CA 2.948 59.337 56.400 -0.018 0.000 0.802 6 E CB -0.615 29.078 29.700 -0.012 0.000 0.763 6 E HN 0.521 8.809 8.360 -0.021 0.060 0.449 7 E N -1.302 118.887 120.200 -0.019 0.000 2.274 7 E HA -0.192 4.152 4.350 -0.009 0.000 0.194 7 E C 2.097 178.678 176.600 -0.032 0.000 0.996 7 E CA 2.088 58.478 56.400 -0.017 0.000 0.840 7 E CB 0.209 29.901 29.700 -0.014 0.000 0.772 7 E HN -0.708 7.641 8.360 -0.018 0.000 0.491 8 K N -0.768 119.602 120.400 -0.050 0.000 2.186 8 K HA -0.142 4.119 4.320 -0.099 0.000 0.202 8 K C 1.482 178.028 176.600 -0.090 0.000 1.052 8 K CA 2.734 58.970 56.287 -0.085 0.000 0.965 8 K CB 0.113 32.555 32.500 -0.096 0.000 0.746 8 K HN 0.497 8.590 8.250 -0.044 0.132 0.457 9 S N 0.071 115.733 115.700 -0.063 0.000 2.442 9 S HA -0.242 4.182 4.470 -0.077 0.000 0.236 9 S C 1.820 176.397 174.600 -0.039 0.000 1.007 9 S CA 3.159 61.325 58.200 -0.057 0.000 0.965 9 S CB -0.496 62.682 63.200 -0.036 0.000 0.773 9 S HN -0.329 7.847 8.310 -0.050 0.103 0.504 10 A N 1.501 124.308 122.820 -0.021 0.000 1.850 10 A HA -0.097 4.231 4.320 0.014 0.000 0.212 10 A C 1.302 178.907 177.584 0.036 0.000 1.208 10 A CA 2.851 54.895 52.037 0.012 0.000 0.609 10 A CB -0.740 18.275 19.000 0.024 0.000 0.860 10 A HN -0.667 7.432 8.150 -0.025 0.036 0.448 11 V N -3.705 116.228 119.914 0.032 0.000 2.720 11 V HA -0.427 3.834 4.120 0.236 0.000 0.256 11 V C 0.981 177.040 176.094 -0.059 0.000 1.082 11 V CA 2.779 65.130 62.300 0.084 0.000 1.101 11 V CB 0.023 31.861 31.823 0.025 0.000 0.693 11 V HN -0.801 7.393 8.190 0.007 0.000 0.479 12 T N -0.586 113.866 114.554 -0.169 0.000 2.937 12 T HA -0.094 3.839 4.350 -0.695 0.000 0.260 12 T C 1.766 176.377 174.700 -0.148 0.000 1.051 12 T CA 2.864 64.756 62.100 -0.347 0.000 1.141 12 T CB 0.261 68.953 68.868 -0.293 0.000 0.879 12 T HN -0.331 7.801 8.240 -0.119 0.037 0.459 13 A N 2.637 125.439 122.820 -0.029 0.000 2.014 13 A HA -0.077 4.261 4.320 0.030 0.000 0.218 13 A C 1.461 179.113 177.584 0.113 0.000 1.163 13 A CA 2.484 54.542 52.037 0.035 0.000 0.652 13 A CB -0.821 18.187 19.000 0.013 0.000 0.808 13 A HN -0.192 7.733 8.150 -0.036 0.204 0.449 14 L N -2.532 118.788 121.223 0.161 0.000 2.349 14 L HA -0.406 3.942 4.340 0.014 0.000 0.220 14 L C 0.866 177.907 176.870 0.285 0.000 1.130 14 L CA 2.304 57.246 54.840 0.171 0.000 0.791 14 L CB -0.329 41.884 42.059 0.256 0.000 0.918 14 L HN -0.145 8.144 8.230 0.139 0.024 0.444 15 W N -0.853 120.434 121.300 -0.022 0.000 2.317 15 W HA -0.459 4.209 4.660 0.014 0.000 0.318 15 W C 2.605 179.102 176.519 -0.036 0.000 1.227 15 W CA 2.035 59.375 57.345 -0.008 0.000 1.269 15 W CB -0.252 29.212 29.460 0.006 0.000 1.155 15 W HN -0.583 7.785 8.180 0.588 0.165 0.484 16 G N -2.797 106.112 108.800 0.182 0.000 2.459 16 G HA2 -0.402 3.593 3.960 0.058 0.000 0.217 16 G HA3 -0.402 3.584 3.960 0.044 0.000 0.217 16 G C 0.171 175.040 174.900 -0.051 0.000 1.183 16 G CA 1.405 46.536 45.100 0.051 0.000 0.776 16 G HN -0.514 7.913 8.290 0.229 0.000 0.552 17 K N -0.521 119.787 120.400 -0.152 0.000 2.218 17 K HA -0.311 3.799 4.320 -0.350 0.000 0.205 17 K C 0.610 176.963 176.600 -0.412 0.000 1.046 17 K CA 1.864 57.876 56.287 -0.459 0.000 0.933 17 K CB 0.146 32.165 32.500 -0.802 0.000 0.728 17 K HN -0.681 7.510 8.250 -0.097 0.000 0.454 18 V N -0.470 119.330 119.914 -0.189 0.000 2.406 18 V HA -0.082 4.124 4.120 0.144 0.000 0.272 18 V C -0.838 175.220 176.094 -0.060 0.000 1.043 18 V CA -0.491 61.775 62.300 -0.056 0.000 0.915 18 V CB 0.697 32.414 31.823 -0.176 0.000 0.988 18 V HN -0.339 7.599 8.190 -0.140 0.168 0.466 19 N N 9.298 127.994 118.700 -0.007 0.000 3.178 19 N HA -0.031 4.692 4.740 -0.028 0.000 0.300 19 N C 0.612 176.076 175.510 -0.076 0.000 1.242 19 N CA -0.115 52.914 53.050 -0.035 0.000 1.192 19 N CB -1.061 37.411 38.487 -0.024 0.000 1.463 19 N HN 0.663 9.076 8.380 0.055 0.000 0.539 20 V N 1.732 121.574 119.914 -0.119 0.000 2.909 20 V HA -0.546 3.484 4.120 -0.150 0.000 0.265 20 V C 0.319 176.373 176.094 -0.067 0.000 1.128 20 V CA 3.346 65.567 62.300 -0.131 0.000 1.149 20 V CB -0.250 31.468 31.823 -0.174 0.000 0.725 20 V HN -0.416 7.637 8.190 -0.139 0.054 0.511 21 D N -3.684 116.687 120.400 -0.047 0.000 2.311 21 D HA -0.272 4.357 4.640 -0.018 0.000 0.212 21 D C 0.719 177.006 176.300 -0.022 0.000 0.972 21 D CA 2.350 56.334 54.000 -0.025 0.000 0.887 21 D CB 0.020 40.809 40.800 -0.018 0.000 0.915 21 D HN 0.121 8.371 8.370 -0.049 0.091 0.497 22 E N -4.790 115.388 120.200 -0.036 0.000 2.521 22 E HA 0.021 4.366 4.350 -0.008 0.000 0.199 22 E C 1.635 178.210 176.600 -0.042 0.000 1.006 22 E CA 0.540 56.923 56.400 -0.028 0.000 1.630 22 E CB 2.292 31.971 29.700 -0.035 0.000 2.725 22 E HN -0.104 8.064 8.360 -0.052 0.160 1.103 23 V N 1.160 121.030 119.914 -0.075 0.000 2.636 23 V HA -0.386 3.669 4.120 -0.108 0.000 0.258 23 V C 1.453 177.519 176.094 -0.046 0.000 1.092 23 V CA 4.603 66.850 62.300 -0.089 0.000 1.110 23 V CB -0.671 31.085 31.823 -0.112 0.000 0.685 23 V HN 0.077 8.218 8.190 -0.082 0.000 0.481 24 G N -2.899 105.884 108.800 -0.029 0.000 2.484 24 G HA2 -0.170 3.799 3.960 0.016 0.000 0.218 24 G HA3 -0.170 3.954 3.960 0.025 -0.149 0.218 24 G C 1.137 176.076 174.900 0.066 0.000 1.130 24 G CA 1.140 46.251 45.100 0.019 0.000 0.784 24 G HN -0.385 7.830 8.290 -0.039 0.051 0.543 25 G N 0.825 109.655 108.800 0.050 0.000 2.453 25 G HA2 -0.118 3.991 3.960 0.116 0.000 0.215 25 G HA3 -0.118 3.877 3.960 0.058 0.000 0.215 25 G C 0.873 175.801 174.900 0.047 0.000 1.147 25 G CA 0.803 45.945 45.100 0.071 0.000 0.802 25 G HN 0.424 8.553 8.290 0.021 0.174 0.535 26 E N 1.916 122.128 120.200 0.020 0.000 2.208 26 E HA -0.260 4.098 4.350 0.013 0.000 0.193 26 E C 1.851 178.469 176.600 0.030 0.000 0.988 26 E CA 2.064 58.473 56.400 0.015 0.000 0.828 26 E CB -0.143 29.554 29.700 -0.005 0.000 0.763 26 E HN -0.528 7.835 8.360 0.005 0.000 0.478 27 A N -0.531 122.314 122.820 0.041 0.000 1.898 27 A HA -0.199 4.151 4.320 0.049 0.000 0.216 27 A C 1.769 179.395 177.584 0.070 0.000 1.181 27 A CA 3.002 55.072 52.037 0.056 0.000 0.620 27 A CB -0.687 18.349 19.000 0.060 0.000 0.819 27 A HN -0.480 7.664 8.150 0.036 0.028 0.442 28 L N -2.631 118.646 121.223 0.090 0.000 2.049 28 L HA -0.288 4.095 4.340 0.071 0.000 0.203 28 L C 2.236 179.106 176.870 0.000 0.000 1.074 28 L CA 2.504 57.394 54.840 0.083 0.000 0.749 28 L CB -0.228 41.954 42.059 0.204 0.000 0.907 28 L HN -0.714 7.578 8.230 0.102 0.000 0.439 29 G N -2.751 106.054 108.800 0.008 0.000 2.517 29 G HA2 -0.404 3.527 3.960 -0.049 0.000 0.222 29 G HA3 -0.404 3.548 3.960 -0.014 0.000 0.222 29 G C 1.323 176.209 174.900 -0.024 0.000 1.109 29 G CA 2.142 47.228 45.100 -0.024 0.000 0.746 29 G HN -0.287 8.022 8.290 0.032 0.000 0.576 30 R N 1.264 121.763 120.500 -0.001 0.000 2.066 30 R HA -0.025 4.314 4.340 -0.001 0.000 0.224 30 R C 1.860 178.167 176.300 0.013 0.000 1.122 30 R CA 1.527 57.632 56.100 0.008 0.000 0.974 30 R CB -0.436 29.882 30.300 0.030 0.000 0.871 30 R HN -0.650 7.496 8.270 0.014 0.132 0.435 31 L N 0.704 121.943 121.223 0.026 0.000 2.137 31 L HA -0.350 4.086 4.340 0.160 0.000 0.213 31 L C 1.860 178.748 176.870 0.030 0.000 1.085 31 L CA 3.195 58.076 54.840 0.068 0.000 0.760 31 L CB -0.320 41.755 42.059 0.026 0.000 0.893 31 L HN -0.474 7.710 8.230 0.026 0.061 0.434 32 L N -4.409 116.766 121.223 -0.080 0.000 2.044 32 L HA -0.273 4.163 4.340 -0.137 -0.178 0.205 32 L C 1.132 177.983 176.870 -0.032 0.000 1.075 32 L CA 2.701 57.476 54.840 -0.108 0.000 0.747 32 L CB -0.117 41.843 42.059 -0.165 0.000 0.903 32 L HN -0.668 7.477 8.230 -0.097 0.027 0.435 33 V N -2.990 116.903 119.914 -0.035 0.000 2.233 33 V HA -0.381 3.719 4.120 -0.033 0.000 0.247 33 V C 1.811 177.855 176.094 -0.083 0.000 1.050 33 V CA 2.684 64.959 62.300 -0.041 0.000 1.010 33 V CB 0.001 31.802 31.823 -0.036 0.000 0.637 33 V HN -0.864 7.227 8.190 -0.037 0.077 0.444 34 V N -3.246 116.599 119.914 -0.115 0.000 2.759 34 V HA -0.303 3.608 4.120 -0.349 0.000 0.256 34 V C 0.251 175.930 176.094 -0.691 0.000 1.080 34 V CA 2.461 64.544 62.300 -0.361 0.000 1.101 34 V CB -0.021 31.640 31.823 -0.271 0.000 0.698 34 V HN -0.502 7.656 8.190 -0.053 0.000 0.477 35 Y N -4.305 116.061 120.300 0.108 0.000 2.517 35 Y HA 0.335 5.120 4.550 0.393 0.000 0.328 35 Y C -2.282 173.691 175.900 0.121 0.000 1.130 35 Y CA -2.315 55.948 58.100 0.271 0.000 1.280 35 Y CB 0.944 39.611 38.460 0.345 0.000 1.101 35 Y HN -0.448 7.633 8.280 0.055 0.232 0.610 36 P HA 0.121 4.513 4.420 -0.037 0.005 0.245 36 P C -0.267 177.083 177.300 0.083 0.000 1.206 36 P CA 0.555 63.695 63.100 0.067 0.000 0.781 36 P CB 0.571 32.307 31.700 0.060 0.000 0.994 37 W N -3.319 118.020 121.300 0.064 0.000 2.468 37 W HA -0.099 4.587 4.660 0.042 0.000 0.262 37 W C 0.243 176.802 176.519 0.067 0.000 1.241 37 W CA -0.978 56.404 57.345 0.061 0.000 1.232 37 W CB -1.667 27.839 29.460 0.077 0.000 1.124 37 W HN -0.153 8.397 8.180 0.715 0.059 0.597 38 T N -1.751 112.268 114.554 -0.892 0.000 3.722 38 T HA -0.164 3.648 4.350 -0.896 0.000 0.247 38 T C -0.582 173.968 174.700 -0.250 0.000 1.004 38 T CA -0.707 60.933 62.100 -0.767 0.000 0.947 38 T CB -1.583 66.834 68.868 -0.752 0.000 1.114 38 T HN -0.625 7.028 8.240 -0.903 0.045 0.633 39 Q N 0.488 120.206 119.800 -0.136 0.000 2.373 39 Q HA -0.166 4.205 4.340 0.051 0.000 0.206 39 Q C 0.269 176.251 176.000 -0.030 0.000 0.942 39 Q CA 0.969 56.766 55.803 -0.010 0.000 0.953 39 Q CB -0.342 28.407 28.738 0.019 0.000 1.022 39 Q HN 0.040 8.090 8.270 -0.120 0.148 0.502 40 R N -3.404 117.003 120.500 -0.157 0.000 2.112 40 R HA -0.086 4.129 4.340 -0.207 0.000 0.216 40 R C 1.401 177.466 176.300 -0.392 0.000 1.080 40 R CA 1.980 57.877 56.100 -0.338 0.000 0.996 40 R CB 0.172 30.117 30.300 -0.592 0.000 0.902 40 R HN -0.192 7.852 8.270 -0.191 0.112 0.449 41 F N -2.179 117.802 119.950 0.052 0.000 2.262 41 F HA -0.018 4.550 4.527 0.069 0.000 0.292 41 F C 1.195 177.137 175.800 0.236 0.000 1.081 41 F CA 1.886 59.958 58.000 0.120 0.000 1.355 41 F CB 0.670 39.753 39.000 0.138 0.000 1.069 41 F HN -0.846 7.429 8.300 -0.041 0.000 0.506 42 F N -2.293 117.789 119.950 0.220 0.000 2.802 42 F HA -0.205 4.574 4.527 0.419 0.000 0.302 42 F C 0.068 175.990 175.800 0.204 0.000 1.211 42 F CA -0.356 57.820 58.000 0.293 0.000 1.431 42 F CB -1.150 37.981 39.000 0.218 0.000 1.114 42 F HN -0.784 7.886 8.300 0.617 0.000 0.567 43 E N -1.374 118.947 120.200 0.201 0.000 2.409 43 E HA -0.364 4.054 4.350 0.114 0.000 0.198 43 E C 1.149 177.769 176.600 0.033 0.000 1.024 43 E CA 2.051 58.506 56.400 0.092 0.000 0.861 43 E CB -0.520 29.193 29.700 0.022 0.000 0.788 43 E HN -0.259 8.063 8.360 0.183 0.148 0.521 44 S N 0.383 116.059 115.700 -0.041 0.000 2.377 44 S HA -0.196 4.207 4.470 -0.112 0.000 0.223 44 S C 1.512 175.990 174.600 -0.202 0.000 1.030 44 S CA 2.272 60.369 58.200 -0.172 0.000 0.970 44 S CB -0.279 62.732 63.200 -0.316 0.000 0.830 44 S HN -0.606 7.630 8.310 -0.023 0.060 0.473 45 F N -0.517 119.321 119.950 -0.186 0.000 2.271 45 F HA -0.345 4.070 4.527 -0.186 0.000 0.302 45 F C 1.317 177.075 175.800 -0.070 0.000 1.063 45 F CA 2.235 60.134 58.000 -0.167 0.000 1.362 45 F CB -0.111 38.770 39.000 -0.198 0.000 1.060 45 F HN -0.815 7.369 8.300 -0.193 0.000 0.521 46 G N -0.690 108.175 108.800 0.110 0.000 4.982 46 G HA2 -0.575 3.418 3.960 0.056 0.000 0.351 46 G HA3 -0.575 3.410 3.960 0.042 0.000 0.351 46 G C 0.063 175.019 174.900 0.094 0.000 1.462 46 G CA 0.936 46.079 45.100 0.072 0.000 1.248 46 G HN -0.686 7.597 8.290 0.094 0.063 0.842 47 D N 3.405 123.862 120.400 0.095 0.000 2.536 47 D HA -0.231 4.444 4.640 0.057 0.000 0.260 47 D C -0.637 175.714 176.300 0.084 0.000 1.270 47 D CA 1.054 55.101 54.000 0.078 0.000 0.934 47 D CB 0.144 40.989 40.800 0.076 0.000 1.129 47 D HN -0.050 8.357 8.370 0.093 0.019 0.533 48 L N 4.296 125.559 121.223 0.066 0.000 3.766 48 L HA 0.175 4.546 4.340 0.051 0.000 0.370 48 L C -0.655 176.241 176.870 0.043 0.000 1.320 48 L CA 0.224 55.101 54.840 0.061 0.000 1.098 48 L CB 0.603 42.717 42.059 0.090 0.000 1.405 48 L HN -0.294 7.969 8.230 0.055 0.000 0.608 49 S N 0.972 116.693 115.700 0.035 0.000 2.374 49 S HA -0.245 4.242 4.470 0.027 0.000 0.227 49 S C -0.210 174.403 174.600 0.022 0.000 1.037 49 S CA 2.577 60.793 58.200 0.027 0.000 1.024 49 S CB 0.352 63.566 63.200 0.022 0.000 0.861 49 S HN 0.484 8.816 8.310 0.037 0.000 0.456 50 T N -4.744 109.822 114.554 0.019 0.000 2.894 50 T HA 0.344 4.702 4.350 0.014 0.000 0.309 50 T C -2.053 172.652 174.700 0.010 0.000 1.208 50 T CA -2.795 59.313 62.100 0.013 0.000 1.016 50 T CB 1.486 70.360 68.868 0.010 0.000 1.192 50 T HN -0.877 7.371 8.240 0.021 0.005 0.491 51 P HA -0.295 4.122 4.420 -0.005 0.000 0.218 51 P C 0.647 177.946 177.300 -0.003 0.000 1.152 51 P CA 2.870 65.969 63.100 -0.002 0.000 0.857 51 P CB 0.047 31.744 31.700 -0.005 0.000 0.787 52 D N -3.020 117.381 120.400 0.000 0.000 2.224 52 D HA -0.141 4.498 4.640 -0.001 0.000 0.205 52 D C 1.623 177.926 176.300 0.004 0.000 0.965 52 D CA 2.495 56.496 54.000 0.001 0.000 0.852 52 D CB -0.707 40.095 40.800 0.002 0.000 0.947 52 D HN -0.560 7.784 8.370 0.002 0.027 0.494 53 A N -1.662 121.163 122.820 0.008 0.000 2.121 53 A HA -0.175 4.154 4.320 0.015 0.000 0.218 53 A C 0.968 178.558 177.584 0.010 0.000 1.154 53 A CA 2.363 54.408 52.037 0.014 0.000 0.679 53 A CB -0.556 18.457 19.000 0.022 0.000 0.795 53 A HN 0.368 8.362 8.150 0.009 0.161 0.458 54 V N -2.360 117.552 119.914 -0.003 0.000 2.283 54 V HA -0.422 3.673 4.120 -0.042 0.000 0.243 54 V C 2.450 178.527 176.094 -0.028 0.000 1.039 54 V CA 3.319 65.600 62.300 -0.031 0.000 1.016 54 V CB 0.012 31.810 31.823 -0.041 0.000 0.650 54 V HN -0.723 7.304 8.190 -0.002 0.161 0.449 55 M N -2.104 117.487 119.600 -0.014 0.000 2.374 55 M HA -0.115 4.360 4.480 -0.008 0.000 0.264 55 M C 2.422 178.725 176.300 0.004 0.000 1.067 55 M CA 0.279 55.575 55.300 -0.006 0.000 1.103 55 M CB -2.123 30.475 32.600 -0.003 0.000 1.402 55 M HN -0.574 7.709 8.290 -0.012 0.000 0.444 56 G N -1.701 107.103 108.800 0.007 0.000 2.712 56 G HA2 -0.160 3.808 3.960 0.014 0.000 0.212 56 G HA3 -0.160 3.808 3.960 0.015 0.000 0.212 56 G C -0.672 174.244 174.900 0.026 0.000 1.142 56 G CA -0.197 44.913 45.100 0.015 0.000 0.789 56 G HN -0.322 7.836 8.290 0.005 0.135 0.535 57 N N 2.701 121.418 118.700 0.029 0.000 2.513 57 N HA 0.244 5.021 4.740 0.062 0.000 0.268 57 N C -0.774 174.778 175.510 0.068 0.000 1.180 57 N CA -2.221 50.864 53.050 0.058 0.000 0.948 57 N CB 1.416 39.948 38.487 0.074 0.000 1.083 57 N HN -0.550 7.653 8.380 0.015 0.186 0.455 58 P HA 0.001 4.455 4.420 0.057 0.000 0.219 58 P C 1.222 178.585 177.300 0.104 0.000 1.154 58 P CA 1.953 65.096 63.100 0.071 0.000 0.826 58 P CB 0.847 32.578 31.700 0.053 0.000 0.795 59 K N -0.817 119.671 120.400 0.147 0.000 2.026 59 K HA -0.245 4.164 4.320 0.149 0.000 0.208 59 K C 2.398 179.181 176.600 0.305 0.000 1.048 59 K CA 3.404 59.816 56.287 0.207 0.000 0.929 59 K CB -0.425 32.192 32.500 0.194 0.000 0.713 59 K HN 0.267 8.815 8.250 0.145 -0.210 0.439 60 V N -0.962 119.129 119.914 0.295 0.000 2.370 60 V HA -0.501 3.761 4.120 0.237 0.000 0.252 60 V C 2.073 178.267 176.094 0.166 0.000 1.068 60 V CA 4.035 66.438 62.300 0.172 0.000 1.061 60 V CB -0.236 31.567 31.823 -0.034 0.000 0.656 60 V HN -0.237 8.394 8.190 0.270 -0.279 0.455 61 K N -1.325 119.149 120.400 0.124 0.000 2.025 61 K HA -0.295 4.068 4.320 0.072 0.000 0.207 61 K C 1.958 178.618 176.600 0.099 0.000 1.049 61 K CA 2.963 59.303 56.287 0.088 0.000 0.933 61 K CB -0.711 31.824 32.500 0.058 0.000 0.714 61 K HN -0.771 7.434 8.250 0.117 0.115 0.438 62 A N -1.294 121.595 122.820 0.114 0.000 1.970 62 A HA -0.203 4.152 4.320 0.059 0.000 0.216 62 A C 1.388 179.043 177.584 0.117 0.000 1.170 62 A CA 2.706 54.797 52.037 0.091 0.000 0.645 62 A CB -0.402 18.643 19.000 0.076 0.000 0.816 62 A HN -0.729 7.432 8.150 0.123 0.063 0.447 63 H N -1.244 117.891 119.070 0.109 0.000 2.491 63 H HA -0.187 4.429 4.556 0.099 0.000 0.290 63 H C 2.015 177.429 175.328 0.144 0.000 1.050 63 H CA 3.572 59.703 56.048 0.138 0.000 1.309 63 H CB 0.706 30.614 29.762 0.243 0.000 1.392 63 H HN 0.959 9.293 8.280 0.309 0.131 0.554 64 G N -1.719 107.208 108.800 0.212 0.000 2.408 64 G HA2 -0.307 3.829 3.960 0.221 0.000 0.217 64 G HA3 -0.307 3.793 3.960 0.129 -0.063 0.217 64 G C 0.606 175.551 174.900 0.075 0.000 1.150 64 G CA 1.809 47.003 45.100 0.157 0.000 0.776 64 G HN -0.083 8.198 8.290 0.215 0.137 0.542 65 K N -0.966 119.457 120.400 0.038 0.000 2.211 65 K HA -0.302 4.024 4.320 0.011 0.000 0.203 65 K C 1.636 178.232 176.600 -0.007 0.000 1.050 65 K CA 2.663 58.957 56.287 0.011 0.000 0.945 65 K CB -0.293 32.209 32.500 0.004 0.000 0.732 65 K HN -0.734 7.546 8.250 0.050 0.000 0.451 66 K N -1.091 119.272 120.400 -0.061 0.000 2.031 66 K HA -0.200 4.073 4.320 -0.078 0.000 0.205 66 K C 2.351 178.926 176.600 -0.041 0.000 1.049 66 K CA 3.003 59.223 56.287 -0.113 0.000 0.939 66 K CB -0.338 31.982 32.500 -0.299 0.000 0.717 66 K HN -0.476 7.583 8.250 -0.077 0.145 0.438 67 V N 0.895 120.816 119.914 0.013 0.000 2.223 67 V HA -0.477 3.725 4.120 0.136 0.000 0.244 67 V C 1.731 177.997 176.094 0.286 0.000 1.045 67 V CA 4.580 66.983 62.300 0.172 0.000 1.000 67 V CB 0.061 32.053 31.823 0.282 0.000 0.635 67 V HN -0.506 7.666 8.190 -0.030 0.000 0.445 68 L N -2.650 118.720 121.223 0.245 0.000 2.265 68 L HA -0.261 4.340 4.340 0.435 0.000 0.215 68 L C 1.860 178.866 176.870 0.227 0.000 1.117 68 L CA 2.230 57.220 54.840 0.250 0.000 0.782 68 L CB -0.507 41.573 42.059 0.035 0.000 0.914 68 L HN -0.272 8.061 8.230 0.171 0.000 0.441 69 G N -1.380 107.500 108.800 0.134 0.000 2.404 69 G HA2 -0.356 3.672 3.960 0.114 0.000 0.214 69 G HA3 -0.356 3.730 3.960 0.039 -0.102 0.214 69 G C 0.375 175.333 174.900 0.097 0.000 1.189 69 G CA 1.702 46.859 45.100 0.096 0.000 0.789 69 G HN -0.358 7.764 8.290 0.099 0.227 0.533 70 A N 1.904 124.729 122.820 0.008 0.000 1.948 70 A HA -0.353 3.827 4.320 -0.233 0.000 0.220 70 A C 1.736 179.295 177.584 -0.041 0.000 1.177 70 A CA 2.693 54.635 52.037 -0.158 0.000 0.636 70 A CB -0.449 18.389 19.000 -0.271 0.000 0.815 70 A HN -0.037 8.118 8.150 0.008 0.000 0.449 71 F N -2.843 117.238 119.950 0.217 0.000 2.113 71 F HA -0.330 4.426 4.527 0.381 0.000 0.297 71 F C 1.741 177.760 175.800 0.365 0.000 1.103 71 F CA 3.650 61.850 58.000 0.333 0.000 1.248 71 F CB -0.237 38.974 39.000 0.351 0.000 0.999 71 F HN -0.760 7.707 8.300 0.306 0.016 0.475 72 S N -1.095 114.997 115.700 0.653 0.000 2.400 72 S HA -0.448 4.508 4.470 0.810 0.000 0.232 72 S C 2.168 176.924 174.600 0.260 0.000 1.025 72 S CA 3.184 61.783 58.200 0.664 0.000 0.993 72 S CB -0.397 63.223 63.200 0.700 0.000 0.808 72 S HN -0.538 8.125 8.310 0.589 0.000 0.478 73 D N 0.199 120.694 120.400 0.159 0.000 2.123 73 D HA -0.228 4.435 4.640 0.040 0.000 0.196 73 D C 1.475 177.812 176.300 0.062 0.000 0.992 73 D CA 2.890 56.913 54.000 0.038 0.000 0.833 73 D CB 0.050 40.788 40.800 -0.103 0.000 0.954 73 D HN -0.327 8.021 8.370 0.165 0.121 0.455 74 G N -1.267 107.603 108.800 0.118 0.000 2.484 74 G HA2 -0.275 3.777 3.960 0.152 0.000 0.215 74 G HA3 -0.275 3.812 3.960 0.210 0.000 0.215 74 G C 1.971 176.890 174.900 0.032 0.000 1.219 74 G CA 1.560 46.744 45.100 0.141 0.000 0.791 74 G HN -0.575 7.712 8.290 0.164 0.101 0.550 75 L N 0.958 122.154 121.223 -0.044 0.000 2.189 75 L HA -0.342 3.882 4.340 -0.194 0.000 0.214 75 L C 1.938 178.738 176.870 -0.116 0.000 1.097 75 L CA 2.969 57.695 54.840 -0.191 0.000 0.764 75 L CB -0.268 41.504 42.059 -0.479 0.000 0.900 75 L HN -0.661 7.571 8.230 0.003 0.000 0.436 76 A N -3.973 118.829 122.820 -0.031 0.000 2.251 76 A HA -0.065 4.246 4.320 -0.015 0.000 0.209 76 A C -0.228 177.419 177.584 0.106 0.000 1.187 76 A CA 0.902 52.949 52.037 0.017 0.000 0.823 76 A CB 0.363 19.384 19.000 0.036 0.000 0.846 76 A HN -0.474 7.528 8.150 0.002 0.150 0.486 77 H N -2.779 116.266 119.070 -0.042 0.000 3.410 77 H HA 0.160 4.696 4.556 -0.033 0.000 0.245 77 H C -1.005 174.312 175.328 -0.019 0.000 1.269 77 H CA 0.069 56.098 56.048 -0.031 0.000 1.402 77 H CB -0.574 29.170 29.762 -0.030 0.000 2.429 77 H HN 0.130 8.214 8.280 0.059 0.231 0.604 78 L N 0.339 121.458 121.223 -0.172 0.000 2.622 78 L HA -0.229 4.069 4.340 -0.070 0.000 0.233 78 L C 0.342 177.072 176.870 -0.234 0.000 1.156 78 L CA 1.017 55.768 54.840 -0.147 0.000 0.866 78 L CB -0.568 41.419 42.059 -0.120 0.000 0.980 78 L HN 0.314 8.459 8.230 -0.141 0.000 0.448 79 D N -1.531 118.575 120.400 -0.490 0.000 2.221 79 D HA -0.245 4.240 4.640 -0.259 0.000 0.204 79 D C 0.228 176.394 176.300 -0.224 0.000 0.982 79 D CA 2.326 56.072 54.000 -0.423 0.000 0.857 79 D CB 0.233 40.617 40.800 -0.693 0.000 0.934 79 D HN -0.002 7.809 8.370 -0.749 0.110 0.475 80 N N -2.853 115.752 118.700 -0.160 0.000 3.063 80 N HA 0.067 4.792 4.740 -0.026 0.000 0.242 80 N C -1.152 174.406 175.510 0.080 0.000 1.146 80 N CA 0.221 53.266 53.050 -0.008 0.000 0.974 80 N CB 1.029 39.540 38.487 0.041 0.000 1.584 80 N HN -0.793 7.417 8.380 -0.228 0.034 0.636 81 L N 5.963 127.233 121.223 0.079 0.000 2.071 81 L HA -0.086 4.461 4.340 0.345 0.000 0.201 81 L C 1.507 178.540 176.870 0.273 0.000 1.076 81 L CA 3.213 58.192 54.840 0.231 0.000 0.755 81 L CB -0.188 41.910 42.059 0.065 0.000 0.915 81 L HN 0.475 8.716 8.230 0.018 0.000 0.445 82 K N -0.938 119.523 120.400 0.102 0.000 2.293 82 K HA -0.361 4.040 4.320 0.134 0.000 0.204 82 K C 2.081 178.747 176.600 0.111 0.000 1.045 82 K CA 2.836 59.178 56.287 0.092 0.000 0.933 82 K CB -0.754 31.734 32.500 -0.021 0.000 0.736 82 K HN 0.274 8.533 8.250 0.015 0.000 0.463 83 G N -1.600 107.257 108.800 0.096 0.000 2.433 83 G HA2 -0.183 3.811 3.960 0.056 0.000 0.216 83 G HA3 -0.183 3.853 3.960 0.078 -0.029 0.216 83 G C 0.924 175.846 174.900 0.038 0.000 1.186 83 G CA 1.844 46.985 45.100 0.069 0.000 0.779 83 G HN 0.278 8.747 8.290 0.097 -0.121 0.543 84 T N 3.129 117.696 114.554 0.022 0.000 2.976 84 T HA 0.000 4.284 4.350 -0.110 0.000 0.257 84 T C 1.681 176.258 174.700 -0.206 0.000 1.051 84 T CA 2.003 64.026 62.100 -0.129 0.000 1.141 84 T CB 0.513 69.244 68.868 -0.228 0.000 0.881 84 T HN -0.591 7.701 8.240 0.085 0.000 0.461 85 F N 0.312 120.217 119.950 -0.075 0.000 2.802 85 F HA -0.106 4.333 4.527 -0.148 0.000 0.302 85 F C 0.717 176.476 175.800 -0.068 0.000 1.211 85 F CA 1.091 59.022 58.000 -0.115 0.000 1.431 85 F CB -1.227 37.681 39.000 -0.155 0.000 1.114 85 F HN 0.462 8.765 8.300 0.179 0.104 0.567 86 A N 0.103 122.973 122.820 0.082 0.000 1.969 86 A HA -0.302 4.084 4.320 0.110 0.000 0.218 86 A C 1.520 179.136 177.584 0.054 0.000 1.169 86 A CA 3.157 55.240 52.037 0.077 0.000 0.635 86 A CB -0.315 18.716 19.000 0.053 0.000 0.810 86 A HN -0.350 7.688 8.150 0.039 0.136 0.445 87 T N -1.621 112.942 114.554 0.016 0.000 2.814 87 T HA -0.148 4.224 4.350 0.037 0.000 0.254 87 T C 1.520 176.259 174.700 0.064 0.000 1.037 87 T CA 3.264 65.378 62.100 0.024 0.000 1.143 87 T CB -0.023 68.838 68.868 -0.012 0.000 0.866 87 T HN -0.718 7.495 8.240 -0.021 0.015 0.431 88 L N 1.109 122.341 121.223 0.015 0.000 2.013 88 L HA -0.464 3.990 4.340 0.189 0.000 0.212 88 L C 2.361 179.264 176.870 0.055 0.000 1.073 88 L CA 3.294 58.133 54.840 -0.001 0.000 0.753 88 L CB -0.809 41.117 42.059 -0.222 0.000 0.890 88 L HN -0.129 8.068 8.230 -0.056 0.000 0.432 89 S N -1.235 114.495 115.700 0.051 0.000 2.353 89 S HA -0.414 4.119 4.470 0.106 0.000 0.222 89 S C 2.067 176.784 174.600 0.196 0.000 1.035 89 S CA 3.879 62.154 58.200 0.125 0.000 1.025 89 S CB -0.441 62.834 63.200 0.124 0.000 0.902 89 S HN -0.085 8.265 8.310 0.066 0.000 0.440 90 E N 2.499 122.782 120.200 0.138 0.000 2.110 90 E HA -0.269 4.126 4.350 0.075 0.000 0.193 90 E C 2.294 178.964 176.600 0.117 0.000 0.988 90 E CA 2.774 59.233 56.400 0.099 0.000 0.804 90 E CB -0.125 29.614 29.700 0.065 0.000 0.745 90 E HN -0.733 7.696 8.360 0.115 0.000 0.458 91 L N -1.220 120.105 121.223 0.171 0.000 2.156 91 L HA -0.283 4.110 4.340 0.088 0.000 0.208 91 L C 2.010 178.986 176.870 0.177 0.000 1.095 91 L CA 2.852 57.788 54.840 0.161 0.000 0.770 91 L CB 0.244 42.410 42.059 0.178 0.000 0.914 91 L HN 0.764 8.898 8.230 0.182 0.206 0.439 92 H N -2.050 117.083 119.070 0.106 0.000 2.512 92 H HA 0.008 4.647 4.556 0.137 0.000 0.279 92 H C 1.853 177.315 175.328 0.224 0.000 0.999 92 H CA 3.356 59.499 56.048 0.159 0.000 1.283 92 H CB -0.356 29.500 29.762 0.156 0.000 1.421 92 H HN 0.810 9.180 8.280 0.521 0.222 0.554 93 C N -0.466 118.988 119.300 0.257 0.000 2.576 93 C HA -0.315 3.944 4.460 -0.336 0.000 0.281 93 C C 1.030 175.955 174.990 -0.108 0.000 1.292 93 C CA 3.834 62.779 59.018 -0.121 0.000 1.697 93 C CB 0.689 28.276 27.740 -0.256 0.000 2.109 93 C HN 0.345 8.498 8.230 0.252 0.229 0.497 94 D N 0.178 120.550 120.400 -0.047 0.000 2.240 94 D HA -0.052 4.533 4.640 -0.090 0.000 0.206 94 D C 1.424 177.738 176.300 0.024 0.000 0.963 94 D CA 2.640 56.616 54.000 -0.040 0.000 0.863 94 D CB -0.225 40.552 40.800 -0.038 0.000 0.973 94 D HN -0.398 7.965 8.370 -0.012 0.000 0.501 95 K N -1.731 118.695 120.400 0.044 0.000 2.021 95 K HA -0.056 4.285 4.320 0.036 0.000 0.205 95 K C 0.922 177.571 176.600 0.082 0.000 1.047 95 K CA 1.978 58.291 56.287 0.043 0.000 0.943 95 K CB 0.472 32.982 32.500 0.017 0.000 0.725 95 K HN -0.597 7.682 8.250 0.048 0.000 0.439 96 L N -6.545 114.732 121.223 0.090 0.000 2.425 96 L HA 0.113 4.573 4.340 0.201 0.000 0.215 96 L C -0.623 176.427 176.870 0.301 0.000 1.065 96 L CA 0.139 55.070 54.840 0.151 0.000 0.842 96 L CB 1.220 43.265 42.059 -0.024 0.000 1.033 96 L HN -0.543 7.728 8.230 0.068 0.000 0.474 97 H N -1.275 117.880 119.070 0.140 0.000 2.677 97 H HA -0.400 4.307 4.556 0.052 -0.120 0.321 97 H C -1.248 174.236 175.328 0.260 0.000 1.171 97 H CA -0.266 55.886 56.048 0.173 0.000 1.139 97 H CB -1.914 27.945 29.762 0.162 0.000 1.515 97 H HN -0.042 8.209 8.280 0.242 0.174 0.423 98 V N 0.149 120.140 119.914 0.128 0.000 2.508 98 V HA -0.120 3.355 4.120 -1.076 0.000 0.281 98 V C 0.047 176.128 176.094 -0.021 0.000 1.041 98 V CA -0.021 62.088 62.300 -0.319 0.000 1.016 98 V CB -0.344 31.392 31.823 -0.144 0.000 0.984 98 V HN -0.412 7.987 8.190 0.348 0.000 0.478 99 D N 7.436 127.743 120.400 -0.154 0.000 2.515 99 D HA -0.112 4.592 4.640 0.107 0.000 0.232 99 D C -0.292 175.825 176.300 -0.305 0.000 1.157 99 D CA -0.039 53.931 54.000 -0.049 0.000 0.871 99 D CB -0.051 40.770 40.800 0.035 0.000 1.200 99 D HN 0.098 8.337 8.370 -0.219 0.000 0.466 100 P HA -0.114 3.871 4.420 -0.725 0.000 0.233 100 P C -0.282 176.670 177.300 -0.580 0.000 1.167 100 P CA 1.351 64.150 63.100 -0.503 0.000 0.770 100 P CB 0.482 32.071 31.700 -0.185 0.000 0.837 101 E N -0.218 119.763 120.200 -0.366 0.000 2.232 101 E HA 0.014 4.218 4.350 -0.243 0.000 0.296 101 E C -1.001 175.418 176.600 -0.302 0.000 1.372 101 E CA 0.018 56.264 56.400 -0.257 0.000 1.527 101 E CB -1.627 28.013 29.700 -0.101 0.000 1.424 101 E HN 0.558 8.710 8.360 -0.244 0.062 0.485 102 N N -0.959 117.397 118.700 -0.573 0.000 2.271 102 N HA -0.005 4.590 4.740 -0.241 0.000 0.267 102 N C 1.067 176.417 175.510 -0.266 0.000 0.987 102 N CA 0.945 53.750 53.050 -0.408 0.000 0.824 102 N CB 1.176 39.410 38.487 -0.423 0.000 1.775 102 N HN -0.393 7.381 8.380 -0.903 0.065 0.728 103 F N 1.061 120.994 119.950 -0.028 0.000 2.091 103 F HA -0.359 4.199 4.527 0.052 0.000 0.299 103 F C 1.639 177.453 175.800 0.023 0.000 1.103 103 F CA 2.798 60.806 58.000 0.014 0.000 1.228 103 F CB -1.122 37.871 39.000 -0.011 0.000 0.984 103 F HN -0.169 7.008 8.300 -1.873 0.000 0.477 104 R N -3.011 117.554 120.500 0.108 0.000 2.276 104 R HA -0.344 4.060 4.340 0.107 0.000 0.243 104 R C 2.347 178.678 176.300 0.051 0.000 1.161 104 R CA 2.389 58.530 56.100 0.068 0.000 1.007 104 R CB -0.856 29.448 30.300 0.006 0.000 0.867 104 R HN 0.173 8.449 8.270 0.010 0.000 0.472 105 L N -1.699 119.533 121.223 0.016 0.000 2.121 105 L HA -0.070 4.294 4.340 0.041 0.000 0.200 105 L C 1.502 178.430 176.870 0.097 0.000 1.077 105 L CA 1.856 56.707 54.840 0.017 0.000 0.766 105 L CB -0.197 41.778 42.059 -0.141 0.000 0.931 105 L HN 0.137 8.153 8.230 -0.013 0.207 0.452 106 L N -0.894 120.402 121.223 0.122 0.000 2.270 106 L HA -0.377 4.043 4.340 0.134 0.000 0.217 106 L C 2.046 178.990 176.870 0.123 0.000 1.107 106 L CA 2.861 57.792 54.840 0.151 0.000 0.772 106 L CB -0.284 41.911 42.059 0.227 0.000 0.902 106 L HN -0.541 7.757 8.230 0.113 0.000 0.439 107 G N -3.122 105.756 108.800 0.130 0.000 2.453 107 G HA2 -0.208 3.794 3.960 0.071 0.000 0.215 107 G HA3 -0.208 3.830 3.960 0.130 0.000 0.215 107 G C 0.597 175.560 174.900 0.105 0.000 1.147 107 G CA 1.596 46.763 45.100 0.112 0.000 0.802 107 G HN 0.030 8.347 8.290 0.144 0.060 0.535 108 N N 1.373 120.132 118.700 0.098 0.000 2.446 108 N HA 0.019 4.802 4.740 0.071 0.000 0.179 108 N C 2.010 177.565 175.510 0.076 0.000 1.054 108 N CA 1.959 55.059 53.050 0.084 0.000 0.905 108 N CB 0.124 38.667 38.487 0.093 0.000 0.973 108 N HN -0.001 8.322 8.380 0.103 0.118 0.448 109 V N 1.441 121.409 119.914 0.089 0.000 2.300 109 V HA -0.282 3.885 4.120 0.080 0.000 0.241 109 V C 1.137 177.263 176.094 0.052 0.000 1.034 109 V CA 3.513 65.862 62.300 0.082 0.000 1.021 109 V CB 0.076 31.962 31.823 0.104 0.000 0.662 109 V HN -0.150 7.961 8.190 0.100 0.139 0.458 110 L N -0.357 120.892 121.223 0.043 0.000 1.997 110 L HA -0.491 3.863 4.340 0.024 0.000 0.216 110 L C 1.914 178.777 176.870 -0.011 0.000 1.074 110 L CA 3.302 58.153 54.840 0.018 0.000 0.763 110 L CB -0.200 41.854 42.059 -0.008 0.000 0.890 110 L HN -0.814 7.449 8.230 0.054 0.000 0.434 111 V N -2.385 117.494 119.914 -0.059 0.000 2.317 111 V HA -0.493 3.397 4.120 -0.383 0.000 0.251 111 V C 1.462 177.516 176.094 -0.067 0.000 1.065 111 V CA 4.413 66.594 62.300 -0.198 0.000 1.049 111 V CB -0.638 31.057 31.823 -0.213 0.000 0.651 111 V HN -0.504 7.679 8.190 -0.012 0.000 0.450 112 C N -1.652 117.645 119.300 -0.005 0.000 2.422 112 C HA -0.359 4.113 4.460 0.019 0.000 0.279 112 C C 1.708 176.738 174.990 0.068 0.000 1.305 112 C CA 4.512 63.547 59.018 0.028 0.000 1.757 112 C CB -0.739 27.022 27.740 0.035 0.000 1.962 112 C HN -0.396 7.730 8.230 0.004 0.106 0.499 113 V N -0.647 119.313 119.914 0.076 0.000 2.626 113 V HA -0.389 3.829 4.120 0.162 0.000 0.252 113 V C 1.302 177.507 176.094 0.185 0.000 1.067 113 V CA 4.431 66.814 62.300 0.139 0.000 1.081 113 V CB -0.381 31.504 31.823 0.104 0.000 0.686 113 V HN -0.037 8.048 8.190 0.050 0.135 0.468 114 L N -0.925 120.381 121.223 0.138 0.000 2.084 114 L HA -0.302 4.275 4.340 0.395 0.000 0.202 114 L C 1.981 178.974 176.870 0.205 0.000 1.074 114 L CA 2.772 57.752 54.840 0.234 0.000 0.757 114 L CB -1.074 41.066 42.059 0.135 0.000 0.918 114 L HN -0.789 7.346 8.230 0.066 0.135 0.444 115 A N -2.914 119.973 122.820 0.111 0.000 2.084 115 A HA -0.401 3.979 4.320 0.101 0.000 0.221 115 A C 1.056 178.632 177.584 -0.014 0.000 1.161 115 A CA 2.684 54.755 52.037 0.056 0.000 0.653 115 A CB -0.609 18.414 19.000 0.037 0.000 0.802 115 A HN 0.060 8.250 8.150 0.066 0.000 0.457 116 H N -1.575 117.422 119.070 -0.121 0.000 2.287 116 H HA -0.181 4.224 4.556 -0.252 0.000 0.309 116 H C 3.107 178.218 175.328 -0.361 0.000 1.059 116 H CA 2.638 58.533 56.048 -0.254 0.000 1.357 116 H CB 0.292 29.878 29.762 -0.294 0.000 1.409 116 H HN -0.613 7.699 8.280 0.122 0.041 0.515 117 H N -1.940 117.003 119.070 -0.211 0.000 2.521 117 H HA -0.170 4.037 4.556 -0.582 0.000 0.286 117 H C 0.709 175.432 175.328 -1.009 0.000 1.034 117 H CA 2.916 58.559 56.048 -0.676 0.000 1.278 117 H CB 0.663 29.925 29.762 -0.833 0.000 1.386 117 H HN -0.523 7.698 8.280 -0.098 0.000 0.567 118 F N -2.818 117.197 119.950 0.109 0.000 2.566 118 F HA 0.280 4.845 4.527 0.064 0.000 0.352 118 F C -0.140 175.680 175.800 0.034 0.000 1.534 118 F CA -1.197 56.847 58.000 0.073 0.000 1.097 118 F CB -0.643 38.410 39.000 0.089 0.000 1.488 118 F HN 0.391 8.562 8.300 0.033 0.148 0.562 119 G N 0.752 109.578 108.800 0.043 0.000 2.484 119 G HA2 -0.210 3.646 3.960 -0.195 0.000 0.218 119 G HA3 -0.210 3.546 3.960 -0.336 0.002 0.218 119 G C 0.669 175.526 174.900 -0.072 0.000 1.130 119 G CA 0.961 45.954 45.100 -0.178 0.000 0.784 119 G HN -0.268 8.015 8.290 -0.012 0.000 0.543 120 K N -0.518 119.926 120.400 0.073 0.000 2.611 120 K HA -0.092 4.302 4.320 0.123 0.000 0.193 120 K C -0.335 176.400 176.600 0.225 0.000 1.026 120 K CA 1.683 58.054 56.287 0.139 0.000 1.063 120 K CB -0.798 31.773 32.500 0.119 0.000 0.839 120 K HN -0.002 8.269 8.250 0.091 0.034 0.505 121 E N -2.727 117.646 120.200 0.290 0.000 2.702 121 E HA 0.144 4.616 4.350 0.203 0.000 0.225 121 E C 0.327 177.118 176.600 0.319 0.000 0.942 121 E CA -0.523 56.029 56.400 0.254 0.000 1.210 121 E CB 0.874 30.685 29.700 0.185 0.000 1.143 121 E HN -0.486 7.914 8.360 0.289 0.134 0.544 122 F N 2.108 122.096 119.950 0.062 0.000 2.712 122 F HA 0.045 4.646 4.527 0.025 -0.059 0.297 122 F C -0.808 175.007 175.800 0.026 0.000 1.278 122 F CA -2.313 55.707 58.000 0.033 0.000 1.441 122 F CB -2.333 36.678 39.000 0.018 0.000 1.063 122 F HN -0.571 8.026 8.300 0.697 0.121 0.511 123 T N 1.067 115.563 114.554 -0.096 0.000 2.939 123 T HA -0.052 4.056 4.350 -0.403 0.000 0.319 123 T C -0.327 174.186 174.700 -0.312 0.000 1.082 123 T CA -1.146 60.796 62.100 -0.263 0.000 1.133 123 T CB 0.323 69.152 68.868 -0.064 0.000 1.019 123 T HN -0.350 7.806 8.240 0.116 0.154 0.548 124 P HA -0.088 4.174 4.420 -0.263 0.000 0.215 124 P C -0.461 176.772 177.300 -0.111 0.000 1.163 124 P CA 3.814 66.783 63.100 -0.219 0.000 0.894 124 P CB -2.055 29.548 31.700 -0.162 0.000 0.791 125 P HA -0.073 4.332 4.420 -0.024 0.000 0.222 125 P C 1.321 178.619 177.300 -0.004 0.000 1.147 125 P CA 2.389 65.471 63.100 -0.030 0.000 0.790 125 P CB -0.625 31.061 31.700 -0.023 0.000 0.780 126 V N -2.366 117.545 119.914 -0.005 0.000 2.788 126 V HA -0.181 3.981 4.120 0.070 0.000 0.251 126 V C 0.690 176.841 176.094 0.095 0.000 1.068 126 V CA 1.750 64.083 62.300 0.055 0.000 1.090 126 V CB -0.223 31.638 31.823 0.063 0.000 0.710 126 V HN -0.660 7.345 8.190 -0.043 0.159 0.467 127 Q N -1.579 118.239 119.800 0.030 0.000 2.036 127 Q HA -0.090 4.295 4.340 0.076 0.000 0.195 127 Q C 2.129 178.184 176.000 0.091 0.000 0.971 127 Q CA 1.929 57.761 55.803 0.050 0.000 0.826 127 Q CB 0.247 28.969 28.738 -0.026 0.000 0.896 127 Q HN -0.677 7.441 8.270 -0.031 0.134 0.449 128 A N -0.947 121.895 122.820 0.037 0.000 1.958 128 A HA -0.307 4.036 4.320 0.040 0.000 0.221 128 A C 0.810 178.423 177.584 0.049 0.000 1.178 128 A CA 2.739 54.798 52.037 0.036 0.000 0.642 128 A CB -0.558 18.449 19.000 0.011 0.000 0.816 128 A HN -0.375 7.776 8.150 0.001 0.000 0.453 129 A N -5.088 117.764 122.820 0.054 0.000 2.412 129 A HA -0.069 4.244 4.320 -0.012 0.000 0.253 129 A C -0.985 176.631 177.584 0.054 0.000 1.334 129 A CA 0.187 52.238 52.037 0.024 0.000 0.929 129 A CB -1.063 17.942 19.000 0.008 0.000 0.983 129 A HN -0.634 7.535 8.150 0.054 0.014 0.508 130 Y N -2.218 118.071 120.300 -0.019 0.000 2.452 130 Y HA 0.090 4.637 4.550 -0.005 0.000 0.262 130 Y C 0.464 176.362 175.900 -0.004 0.000 1.089 130 Y CA 1.620 59.720 58.100 0.000 0.000 1.262 130 Y CB 2.633 41.112 38.460 0.032 0.000 1.236 130 Y HN 0.185 8.379 8.280 0.173 0.191 0.512 131 Q N 0.032 119.928 119.800 0.160 0.000 2.013 131 Q HA -0.236 4.198 4.340 0.157 0.000 0.195 131 Q C 1.702 177.701 176.000 -0.001 0.000 0.974 131 Q CA 3.279 59.143 55.803 0.103 0.000 0.826 131 Q CB 0.252 29.044 28.738 0.090 0.000 0.895 131 Q HN -0.440 7.917 8.270 0.146 0.000 0.448 132 K N -0.866 119.510 120.400 -0.040 0.000 2.293 132 K HA -0.348 3.927 4.320 -0.075 0.000 0.204 132 K C 1.996 178.480 176.600 -0.192 0.000 1.045 132 K CA 3.015 59.230 56.287 -0.121 0.000 0.933 132 K CB -0.943 31.448 32.500 -0.182 0.000 0.736 132 K HN -0.163 8.078 8.250 -0.015 0.000 0.463 133 V N -1.121 118.684 119.914 -0.182 0.000 2.231 133 V HA -0.207 3.773 4.120 -0.234 0.000 0.240 133 V C 2.165 178.179 176.094 -0.134 0.000 1.039 133 V CA 2.853 65.027 62.300 -0.210 0.000 0.998 133 V CB -0.677 30.977 31.823 -0.283 0.000 0.639 133 V HN -0.444 7.603 8.190 -0.147 0.055 0.451 134 V N -2.070 117.781 119.914 -0.105 0.000 2.970 134 V HA -0.296 3.915 4.120 0.153 0.000 0.260 134 V C 1.656 177.777 176.094 0.045 0.000 1.100 134 V CA 2.480 64.813 62.300 0.055 0.000 1.122 134 V CB -1.846 30.001 31.823 0.041 0.000 0.721 134 V HN -0.836 7.245 8.190 -0.183 0.000 0.483 135 A N 0.114 122.932 122.820 -0.004 0.000 2.032 135 A HA -0.308 4.035 4.320 0.038 0.000 0.221 135 A C 1.943 179.498 177.584 -0.049 0.000 1.165 135 A CA 3.334 55.371 52.037 -0.000 0.000 0.645 135 A CB -0.919 18.076 19.000 -0.007 0.000 0.807 135 A HN 0.731 8.728 8.150 -0.029 0.136 0.453 136 G N -2.832 105.910 108.800 -0.097 0.000 2.408 136 G HA2 -0.251 3.634 3.960 -0.124 0.000 0.217 136 G HA3 -0.251 3.610 3.960 -0.165 0.000 0.217 136 G C 1.020 175.743 174.900 -0.294 0.000 1.150 136 G CA 1.867 46.871 45.100 -0.160 0.000 0.776 136 G HN -0.522 7.681 8.290 -0.093 0.031 0.542 137 V N 3.797 123.502 119.914 -0.348 0.000 2.295 137 V HA -0.518 2.898 4.120 -1.174 0.000 0.246 137 V C 1.432 177.237 176.094 -0.482 0.000 1.049 137 V CA 3.844 65.738 62.300 -0.677 0.000 1.024 137 V CB -0.568 30.930 31.823 -0.543 0.000 0.648 137 V HN -0.234 7.720 8.190 -0.193 0.120 0.447 138 A N -1.050 121.654 122.820 -0.193 0.000 1.927 138 A HA -0.453 3.806 4.320 -0.101 0.000 0.220 138 A C 1.413 178.956 177.584 -0.069 0.000 1.185 138 A CA 3.431 55.451 52.037 -0.029 0.000 0.639 138 A CB -0.728 18.371 19.000 0.166 0.000 0.820 138 A HN -0.474 7.629 8.150 -0.078 0.000 0.451 139 N N -2.330 116.305 118.700 -0.109 0.000 2.290 139 N HA -0.117 4.598 4.740 -0.042 0.000 0.179 139 N C 2.435 177.850 175.510 -0.158 0.000 1.016 139 N CA 1.683 54.678 53.050 -0.092 0.000 0.871 139 N CB 0.543 38.992 38.487 -0.062 0.000 0.987 139 N HN -0.868 7.436 8.380 -0.120 0.004 0.431 140 A N 1.504 124.156 122.820 -0.280 0.000 1.892 140 A HA -0.309 3.922 4.320 -0.149 0.000 0.218 140 A C 1.977 179.433 177.584 -0.213 0.000 1.188 140 A CA 3.092 54.959 52.037 -0.284 0.000 0.631 140 A CB -0.340 18.287 19.000 -0.622 0.000 0.822 140 A HN 0.556 8.319 8.150 -0.337 0.185 0.447 141 L N -5.102 115.880 121.223 -0.401 0.000 2.675 141 L HA -0.093 4.147 4.340 -0.168 0.000 0.239 141 L C -0.666 176.057 176.870 -0.244 0.000 1.151 141 L CA 0.648 55.267 54.840 -0.370 0.000 0.905 141 L CB -1.147 40.406 42.059 -0.843 0.000 1.057 141 L HN -0.039 7.853 8.230 -0.564 0.000 0.435 142 A N -4.104 118.608 122.820 -0.181 0.000 2.600 142 A HA 0.125 4.088 4.320 -0.596 0.000 0.252 142 A C 0.139 177.665 177.584 -0.097 0.000 1.200 142 A CA 0.080 51.956 52.037 -0.269 0.000 0.981 142 A CB 1.258 20.109 19.000 -0.247 0.000 1.207 142 A HN 0.217 8.014 8.150 -0.153 0.261 0.577 143 H N 1.043 120.065 119.070 -0.081 0.000 2.462 143 H HA -0.176 4.330 4.556 -0.084 0.000 0.292 143 H C 1.154 176.506 175.328 0.039 0.000 1.049 143 H CA 2.760 58.782 56.048 -0.043 0.000 1.334 143 H CB 0.158 29.903 29.762 -0.028 0.000 1.404 143 H HN -0.047 8.166 8.280 0.087 0.120 0.544 144 K N -2.442 117.987 120.400 0.048 0.000 2.361 144 K HA -0.150 4.093 4.320 -0.128 0.000 0.196 144 K C 0.260 176.912 176.600 0.086 0.000 1.039 144 K CA 1.419 57.715 56.287 0.015 0.000 1.001 144 K CB -0.516 32.040 32.500 0.093 0.000 0.795 144 K HN -0.020 8.314 8.250 0.182 0.025 0.495 145 Y N -2.799 117.460 120.300 -0.070 0.000 2.070 145 Y HA -0.204 4.399 4.550 0.089 0.000 0.279 145 Y C 1.494 177.492 175.900 0.164 0.000 1.134 145 Y CA 2.612 60.737 58.100 0.042 0.000 1.113 145 Y CB -0.099 38.371 38.460 0.018 0.000 0.981 145 Y HN -0.380 8.000 8.280 0.438 0.163 0.487 146 H N 0.000 119.174 119.070 0.173 0.000 2.539 146 H HA 0.000 4.602 4.556 0.076 0.000 0.296 146 H CA 0.000 56.089 56.048 0.069 0.000 1.023 146 H CB 0.000 29.803 29.762 0.068 0.000 1.292 146 H HN 0.000 8.169 8.280 -0.184 0.000 0.496