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 2e63_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGELH PRTGRLVSLS ACGRTARRQQ PGQEFNHGLV LSREPLRDGR DATA SEQUENCE VFTVRIDRKV NSWSGSIEIG VTALDPSVLD FPSSATGLKG GSWVVSGCSV DATA SEQUENCE LRDGRSVLEE YGQDLDQLGE GDRVGVERTV AGELRLWVNG RDCGVAATGL DATA SEQUENCE PPRVWAVVDL YGKCTQITVL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 1 G C 0.000 174.902 174.900 0.003 0.000 0.946 1 G CA 0.000 45.102 45.100 0.003 0.000 0.502 2 S N -1.527 114.175 115.700 0.003 0.000 3.538 2 S HA -0.143 4.329 4.470 0.003 0.000 0.640 2 S C -0.861 173.741 174.600 0.005 0.000 2.388 2 S CA 0.289 58.490 58.200 0.003 0.000 2.560 2 S CB 0.275 63.474 63.200 -0.000 0.000 0.328 2 S HN 0.027 8.339 8.310 0.004 0.000 1.791 3 S N -1.843 113.859 115.700 0.004 0.000 1.962 3 S HA -0.010 4.463 4.470 0.005 0.000 0.193 3 S C -1.208 173.393 174.600 0.002 0.000 0.756 3 S CA 0.558 58.761 58.200 0.005 0.000 1.439 3 S CB 0.743 63.950 63.200 0.012 0.000 0.887 3 S HN 0.194 8.505 8.310 0.001 0.000 0.347 4 G N 1.673 110.473 108.800 -0.001 0.000 2.165 4 G HA2 -0.231 3.722 3.960 -0.012 0.000 0.226 4 G HA3 -0.231 3.724 3.960 -0.010 0.000 0.226 4 G C -0.563 174.331 174.900 -0.010 0.000 1.035 4 G CA 0.110 45.206 45.100 -0.008 0.000 0.744 4 G HN 0.300 8.590 8.290 0.000 0.000 0.501 5 S N -2.336 113.365 115.700 0.001 0.000 2.776 5 S HA 0.274 4.738 4.470 -0.009 0.000 0.306 5 S C -1.334 173.273 174.600 0.012 0.000 1.114 5 S CA -0.755 57.450 58.200 0.008 0.000 0.973 5 S CB 2.583 65.804 63.200 0.036 0.000 1.250 5 S HN -0.461 7.852 8.310 0.006 0.000 0.549 6 S N 0.825 116.549 115.700 0.040 0.000 3.829 6 S HA 0.200 4.692 4.470 0.037 0.000 0.201 6 S C 0.074 174.781 174.600 0.178 0.000 1.005 6 S CA 1.140 59.381 58.200 0.068 0.000 0.935 6 S CB 0.709 63.915 63.200 0.009 0.000 1.181 6 S HN 0.290 8.636 8.310 0.059 0.000 0.622 7 G N -1.693 107.338 108.800 0.385 0.000 2.848 7 G HA2 0.201 4.302 3.960 0.234 0.000 0.213 7 G HA3 0.201 4.499 3.960 0.563 0.000 0.213 7 G C -1.910 173.220 174.900 0.383 0.000 1.101 7 G CA -1.054 44.301 45.100 0.425 0.000 0.778 7 G HN 0.347 8.878 8.290 0.401 0.000 0.536 8 E N -2.568 117.900 120.200 0.446 0.000 6.574 8 E HA -0.460 4.036 4.350 0.244 0.000 0.171 8 E C -1.719 175.080 176.600 0.331 0.000 1.464 8 E CA 0.674 57.254 56.400 0.299 0.000 2.498 8 E CB -0.108 29.697 29.700 0.176 0.000 1.837 8 E HN -0.549 8.076 8.360 0.441 0.000 0.466 9 L N -1.454 119.899 121.223 0.217 0.000 2.464 9 L HA 0.370 4.989 4.340 0.200 -0.159 0.266 9 L C -1.648 175.318 176.870 0.159 0.000 0.965 9 L CA -1.186 53.773 54.840 0.197 0.000 0.833 9 L CB 3.760 45.933 42.059 0.190 0.000 1.296 9 L HN -0.024 8.305 8.230 0.164 0.000 0.405 10 H N 7.181 126.303 119.070 0.088 0.000 2.928 10 H HA -0.008 4.589 4.556 0.068 0.000 0.338 10 H C -0.646 174.726 175.328 0.074 0.000 1.047 10 H CA 1.562 57.656 56.048 0.076 0.000 1.435 10 H CB 1.090 30.898 29.762 0.077 0.000 1.428 10 H HN 0.372 8.709 8.280 0.286 0.115 0.590 11 P HA -0.044 4.392 4.420 0.027 0.000 0.223 11 P C -0.610 176.758 177.300 0.113 0.000 1.151 11 P CA 1.016 64.124 63.100 0.014 0.000 0.787 11 P CB 0.833 32.496 31.700 -0.062 0.000 0.788 12 R N 0.129 120.791 120.500 0.270 0.000 2.267 12 R HA 0.057 4.517 4.340 0.200 0.000 0.319 12 R C -0.416 176.097 176.300 0.354 0.000 1.067 12 R CA -0.340 55.946 56.100 0.309 0.000 0.936 12 R CB 0.029 30.546 30.300 0.362 0.000 1.006 12 R HN -0.654 7.820 8.270 0.413 0.043 0.452 13 T N -0.293 114.390 114.554 0.215 0.000 2.754 13 T HA 0.295 4.471 4.350 -0.290 0.000 0.296 13 T C -0.741 173.975 174.700 0.027 0.000 1.205 13 T CA -2.211 59.875 62.100 -0.023 0.000 1.009 13 T CB 2.712 71.507 68.868 -0.122 0.000 1.368 13 T HN -0.275 8.068 8.240 0.171 0.000 0.509 14 G N 0.042 108.763 108.800 -0.131 0.000 2.467 14 G HA2 -0.056 3.944 3.960 0.067 0.000 0.243 14 G HA3 -0.056 3.853 3.960 -0.085 0.000 0.243 14 G C -0.897 174.001 174.900 -0.004 0.000 1.521 14 G CA -0.052 45.031 45.100 -0.028 0.000 1.055 14 G HN 0.103 8.183 8.290 -0.350 0.000 0.553 15 R N 0.194 120.693 120.500 -0.002 0.000 2.051 15 R HA -0.062 4.294 4.340 0.026 0.000 0.218 15 R C 1.623 177.946 176.300 0.039 0.000 1.188 15 R CA 1.233 57.351 56.100 0.030 0.000 0.992 15 R CB 0.649 30.983 30.300 0.057 0.000 0.883 15 R HN -0.139 8.115 8.270 -0.027 0.000 0.444 16 L N -2.671 118.591 121.223 0.066 0.000 2.201 16 L HA -0.171 4.194 4.340 0.041 0.000 0.212 16 L C 0.261 177.144 176.870 0.020 0.000 1.105 16 L CA 1.728 56.598 54.840 0.049 0.000 0.775 16 L CB 0.398 42.495 42.059 0.064 0.000 0.913 16 L HN -0.266 8.027 8.230 0.104 0.000 0.440 17 V N -2.610 117.302 119.914 -0.004 0.000 2.555 17 V HA -0.065 4.218 4.120 -0.013 -0.171 0.286 17 V C -0.826 175.258 176.094 -0.017 0.000 1.044 17 V CA 0.807 63.089 62.300 -0.029 0.000 1.026 17 V CB 0.526 32.289 31.823 -0.101 0.000 0.981 17 V HN -0.482 7.670 8.190 -0.010 0.033 0.480 18 S N 6.061 121.758 115.700 -0.004 0.000 2.549 18 S HA 0.368 4.842 4.470 0.008 0.000 0.280 18 S C -1.774 172.834 174.600 0.013 0.000 1.109 18 S CA -1.726 56.478 58.200 0.008 0.000 0.905 18 S CB 2.366 65.575 63.200 0.015 0.000 1.081 18 S HN 0.710 9.019 8.310 -0.001 0.000 0.477 19 L N 1.779 123.013 121.223 0.019 0.000 2.279 19 L HA 0.862 5.420 4.340 0.028 -0.201 0.262 19 L C -0.060 176.824 176.870 0.023 0.000 1.019 19 L CA -1.563 53.293 54.840 0.026 0.000 0.823 19 L CB 4.594 46.673 42.059 0.033 0.000 1.358 19 L HN 0.222 8.464 8.230 0.019 0.000 0.432 20 S N 1.188 116.903 115.700 0.025 0.000 2.686 20 S HA 0.149 4.630 4.470 0.018 0.000 0.270 20 S C 0.793 175.403 174.600 0.017 0.000 1.194 20 S CA -1.220 56.992 58.200 0.020 0.000 0.990 20 S CB 0.748 63.960 63.200 0.021 0.000 1.029 20 S HN -0.196 8.132 8.310 0.030 0.000 0.560 21 A N -1.058 121.770 122.820 0.013 0.000 1.969 21 A HA -0.138 4.186 4.320 0.007 0.000 0.218 21 A C 1.500 179.090 177.584 0.009 0.000 1.169 21 A CA 1.919 53.962 52.037 0.009 0.000 0.635 21 A CB -0.629 18.376 19.000 0.008 0.000 0.810 21 A HN 0.340 8.498 8.150 0.013 0.000 0.445 22 C N -4.126 115.182 119.300 0.013 0.000 2.450 22 C HA -0.219 4.248 4.460 0.012 0.000 0.279 22 C C 0.486 175.488 174.990 0.020 0.000 1.335 22 C CA 0.812 59.839 59.018 0.015 0.000 1.749 22 C CB 0.269 28.020 27.740 0.018 0.000 1.963 22 C HN -0.329 7.890 8.230 0.014 0.020 0.501 23 G N -1.364 107.451 108.800 0.025 0.000 2.142 23 G HA2 -0.352 3.628 3.960 0.034 0.000 0.225 23 G HA3 -0.352 3.621 3.960 0.022 0.000 0.225 23 G C -1.185 173.753 174.900 0.064 0.000 1.015 23 G CA 0.176 45.296 45.100 0.035 0.000 0.716 23 G HN -0.285 7.928 8.290 0.024 0.092 0.508 24 R N -3.165 117.370 120.500 0.060 0.000 2.642 24 R HA 0.262 4.668 4.340 0.111 0.000 0.435 24 R C -2.125 174.211 176.300 0.061 0.000 1.046 24 R CA -1.358 54.786 56.100 0.074 0.000 1.103 24 R CB 1.564 31.895 30.300 0.052 0.000 1.425 24 R HN -0.601 7.696 8.270 0.044 0.000 0.586 25 T N 0.874 115.464 114.554 0.059 0.000 3.237 25 T HA 0.454 4.973 4.350 0.049 -0.140 0.319 25 T C -2.340 172.389 174.700 0.049 0.000 1.037 25 T CA -0.301 61.827 62.100 0.048 0.000 1.048 25 T CB 2.469 71.356 68.868 0.032 0.000 1.081 25 T HN -0.654 7.623 8.240 0.061 0.000 0.455 26 A N 6.006 128.858 122.820 0.053 0.000 2.340 26 A HA 0.997 5.485 4.320 0.035 -0.148 0.331 26 A C -2.078 175.526 177.584 0.034 0.000 1.140 26 A CA -2.158 49.905 52.037 0.043 0.000 0.801 26 A CB 3.176 22.207 19.000 0.051 0.000 1.234 26 A HN 0.854 9.039 8.150 0.059 0.000 0.469 27 R N -1.087 119.428 120.500 0.025 0.000 2.663 27 R HA 0.944 5.507 4.340 0.031 -0.205 0.267 27 R C -2.117 174.197 176.300 0.022 0.000 1.038 27 R CA -1.068 55.048 56.100 0.027 0.000 0.886 27 R CB 3.891 34.208 30.300 0.028 0.000 1.249 27 R HN 0.520 8.800 8.270 0.017 0.000 0.463 28 R N 1.458 121.977 120.500 0.030 0.000 2.720 28 R HA 0.532 5.051 4.340 0.022 -0.166 0.272 28 R C -1.024 175.297 176.300 0.035 0.000 0.991 28 R CA -1.851 54.267 56.100 0.031 0.000 1.010 28 R CB 3.143 33.467 30.300 0.040 0.000 1.141 28 R HN 0.386 8.678 8.270 0.036 0.000 0.494 29 Q N 1.538 121.356 119.800 0.030 0.000 2.333 29 Q HA 0.202 4.564 4.340 0.037 0.000 0.266 29 Q C -1.466 174.550 176.000 0.028 0.000 1.053 29 Q CA -0.712 55.110 55.803 0.031 0.000 0.890 29 Q CB 1.583 30.335 28.738 0.025 0.000 1.337 29 Q HN -0.043 8.143 8.270 0.026 0.099 0.474 30 Q N -2.584 117.237 119.800 0.035 0.000 2.454 30 Q HA -0.181 4.189 4.340 0.049 0.000 0.341 30 Q C -1.285 174.759 176.000 0.074 0.000 1.437 30 Q CA 0.131 55.957 55.803 0.038 0.000 0.935 30 Q CB -2.189 26.547 28.738 -0.005 0.000 1.164 30 Q HN 0.457 8.749 8.270 0.036 0.000 0.373 31 P HA -0.026 4.522 4.420 0.213 0.000 0.230 31 P C -0.184 177.384 177.300 0.446 0.000 1.158 31 P CA 1.086 64.333 63.100 0.244 0.000 0.769 31 P CB 0.421 32.248 31.700 0.213 0.000 0.807 32 G N -4.118 104.866 108.800 0.306 0.000 4.403 32 G HA2 0.101 4.355 3.960 0.490 0.000 0.297 32 G HA3 0.101 4.172 3.960 0.186 0.000 0.297 32 G C -1.427 173.661 174.900 0.314 0.000 1.325 32 G CA -0.475 44.828 45.100 0.338 0.000 1.378 32 G HN 0.115 8.464 8.290 0.191 0.056 0.595 33 Q N -0.638 119.401 119.800 0.400 0.000 1.847 33 Q HA 0.028 4.501 4.340 0.220 0.000 0.148 33 Q C -0.623 175.331 176.000 -0.077 0.000 0.581 33 Q CA 0.395 56.296 55.803 0.164 0.000 0.877 33 Q CB 2.143 30.886 28.738 0.010 0.000 1.017 33 Q HN -0.291 8.259 8.270 0.559 0.055 0.255 34 E N -1.298 118.691 120.200 -0.352 0.000 2.404 34 E HA 0.323 3.963 4.350 -1.183 0.000 0.264 34 E C -1.037 175.072 176.600 -0.818 0.000 0.946 34 E CA -1.155 54.743 56.400 -0.836 0.000 0.806 34 E CB 3.436 32.693 29.700 -0.738 0.000 1.334 34 E HN -0.405 7.822 8.360 -0.222 0.000 0.429 35 F N -4.565 115.126 119.950 -0.431 0.000 2.444 35 F HA 0.055 4.366 4.527 -0.361 0.000 0.263 35 F C -0.702 175.055 175.800 -0.071 0.000 0.912 35 F CA 0.081 57.899 58.000 -0.303 0.000 1.122 35 F CB 0.418 39.270 39.000 -0.247 0.000 1.246 35 F HN -0.155 7.051 8.300 -1.822 0.000 0.752 36 N N 1.970 120.751 118.700 0.135 0.000 2.497 36 N HA -0.201 4.593 4.740 0.090 0.000 0.271 36 N C -0.679 174.882 175.510 0.085 0.000 1.142 36 N CA 0.776 53.852 53.050 0.043 0.000 0.965 36 N CB -0.279 38.147 38.487 -0.102 0.000 1.077 36 N HN -0.147 8.390 8.380 0.260 0.000 0.462 37 H N 1.653 120.674 119.070 -0.082 0.000 4.050 37 H HA 0.038 4.544 4.556 -0.083 0.000 0.250 37 H C -2.013 173.276 175.328 -0.066 0.000 1.150 37 H CA 0.263 56.261 56.048 -0.083 0.000 1.162 37 H CB 0.836 30.537 29.762 -0.102 0.000 3.486 37 H HN 0.350 8.672 8.280 0.069 0.000 0.657 38 G N -3.148 105.616 108.800 -0.061 0.000 2.344 38 G HA2 -0.031 3.845 3.960 -0.141 0.000 0.282 38 G HA3 -0.031 3.844 3.960 -0.142 0.000 0.282 38 G C -3.657 171.123 174.900 -0.199 0.000 1.281 38 G CA 0.512 45.528 45.100 -0.140 0.000 0.877 38 G HN -0.772 7.494 8.290 -0.039 0.000 0.494 39 L N -2.760 118.194 121.223 -0.449 0.000 2.940 39 L HA 0.275 4.492 4.340 -0.205 0.000 0.270 39 L C -2.448 174.037 176.870 -0.642 0.000 1.030 39 L CA 0.179 54.749 54.840 -0.450 0.000 0.928 39 L CB 4.889 46.758 42.059 -0.317 0.000 1.506 39 L HN -0.226 7.646 8.230 -0.596 0.000 0.405 40 V N -3.181 116.551 119.914 -0.303 0.000 2.567 40 V HA 0.447 4.412 4.120 -0.259 0.000 0.298 40 V C -2.377 173.720 176.094 0.006 0.000 1.047 40 V CA -2.028 60.176 62.300 -0.160 0.000 0.880 40 V CB 1.334 33.130 31.823 -0.046 0.000 1.009 40 V HN 0.297 8.395 8.190 -0.155 0.000 0.429 41 L N 5.093 126.370 121.223 0.089 0.000 2.335 41 L HA 0.773 5.300 4.340 0.047 -0.160 0.268 41 L C 0.087 177.004 176.870 0.079 0.000 1.016 41 L CA -1.919 52.974 54.840 0.089 0.000 0.805 41 L CB 4.068 46.190 42.059 0.104 0.000 1.311 41 L HN 0.198 8.505 8.230 0.129 0.000 0.456 42 S N -0.322 115.382 115.700 0.006 0.000 2.603 42 S HA 0.211 4.910 4.470 0.027 -0.212 0.268 42 S C 0.209 174.960 174.600 0.252 0.000 1.317 42 S CA 0.057 58.272 58.200 0.026 0.000 1.012 42 S CB 1.600 64.680 63.200 -0.200 0.000 0.926 42 S HN 0.145 8.448 8.310 -0.011 0.000 0.539 43 R N 1.259 121.916 120.500 0.262 0.000 2.090 43 R HA -0.160 4.449 4.340 0.448 0.000 0.228 43 R C 0.309 176.842 176.300 0.388 0.000 1.110 43 R CA 2.090 58.375 56.100 0.308 0.000 0.973 43 R CB 1.051 31.444 30.300 0.155 0.000 0.869 43 R HN -0.345 7.938 8.270 0.211 0.114 0.440 44 E N -2.598 117.815 120.200 0.354 0.000 2.312 44 E HA 0.426 5.092 4.350 0.526 0.000 0.267 44 E C -2.467 174.191 176.600 0.096 0.000 0.894 44 E CA -3.440 53.161 56.400 0.335 0.000 0.773 44 E CB 2.849 32.641 29.700 0.153 0.000 1.241 44 E HN -0.742 7.779 8.360 0.268 0.000 0.432 45 P HA 0.096 3.602 4.420 -1.728 -0.123 0.271 45 P C -0.545 176.467 177.300 -0.480 0.000 1.226 45 P CA -0.302 62.119 63.100 -1.133 0.000 0.765 45 P CB 0.388 31.235 31.700 -1.422 0.000 0.835 46 L N 3.310 124.313 121.223 -0.367 0.000 2.525 46 L HA -0.165 4.113 4.340 -0.103 0.000 0.278 46 L C -0.077 176.687 176.870 -0.176 0.000 1.218 46 L CA 0.780 55.515 54.840 -0.176 0.000 0.878 46 L CB 0.187 42.185 42.059 -0.102 0.000 1.127 46 L HN -0.232 7.743 8.230 -0.424 0.000 0.492 47 R N 0.349 120.781 120.500 -0.112 0.000 2.549 47 R HA 0.173 4.438 4.340 -0.126 0.000 0.267 47 R C -0.279 175.974 176.300 -0.079 0.000 1.045 47 R CA -2.142 53.897 56.100 -0.100 0.000 1.115 47 R CB 0.888 31.143 30.300 -0.075 0.000 1.121 47 R HN 0.007 8.230 8.270 -0.079 0.000 0.543 48 D N -0.437 119.920 120.400 -0.071 0.000 2.520 48 D HA -0.335 4.445 4.640 -0.056 -0.173 0.243 48 D C 0.976 177.248 176.300 -0.046 0.000 1.160 48 D CA 1.097 55.065 54.000 -0.054 0.000 0.877 48 D CB -1.215 39.557 40.800 -0.046 0.000 1.150 48 D HN -0.016 8.310 8.370 -0.074 0.000 0.494 49 G N 4.791 113.568 108.800 -0.039 0.000 2.383 49 G HA2 -0.563 3.478 3.960 -0.026 0.000 0.229 49 G HA3 -0.563 3.366 3.960 -0.051 0.000 0.229 49 G C -0.334 174.511 174.900 -0.091 0.000 1.089 49 G CA -0.189 44.881 45.100 -0.049 0.000 0.640 49 G HN 0.051 8.422 8.290 -0.030 -0.099 0.510 50 R N 2.294 122.748 120.500 -0.076 0.000 2.480 50 R HA -0.211 4.067 4.340 -0.103 0.000 0.303 50 R C -0.973 175.283 176.300 -0.074 0.000 0.985 50 R CA 0.453 56.506 56.100 -0.077 0.000 1.051 50 R CB 0.320 30.596 30.300 -0.041 0.000 0.935 50 R HN -0.361 7.676 8.270 -0.063 0.196 0.410 51 V N 5.843 125.669 119.914 -0.146 0.000 2.347 51 V HA 0.233 4.482 4.120 -0.051 -0.159 0.280 51 V C -0.501 175.582 176.094 -0.018 0.000 1.021 51 V CA -0.403 61.806 62.300 -0.151 0.000 0.847 51 V CB 0.864 32.374 31.823 -0.522 0.000 0.990 51 V HN -0.124 7.952 8.190 -0.189 0.000 0.444 52 F N 11.114 131.041 119.950 -0.039 0.000 2.494 52 F HA 0.087 4.607 4.527 -0.011 0.000 0.351 52 F C -1.374 174.442 175.800 0.028 0.000 1.205 52 F CA -0.811 57.191 58.000 0.003 0.000 1.125 52 F CB 0.534 39.558 39.000 0.039 0.000 1.268 52 F HN 0.645 9.094 8.300 0.247 0.000 0.593 53 T N 9.636 123.976 114.554 -0.357 0.000 2.922 53 T HA 0.164 4.566 4.350 -0.093 -0.108 0.285 53 T C -1.196 173.252 174.700 -0.419 0.000 1.005 53 T CA -0.038 61.909 62.100 -0.255 0.000 1.061 53 T CB 1.408 70.185 68.868 -0.153 0.000 1.007 53 T HN -0.194 7.827 8.240 -0.364 0.000 0.502 54 V N -3.933 115.862 119.914 -0.197 0.000 2.969 54 V HA 0.734 4.898 4.120 -0.210 -0.170 0.304 54 V C -2.649 173.416 176.094 -0.049 0.000 1.192 54 V CA -2.416 59.794 62.300 -0.151 0.000 0.962 54 V CB 3.701 35.480 31.823 -0.074 0.000 1.045 54 V HN 0.645 8.686 8.190 -0.086 0.098 0.428 55 R N 4.005 124.481 120.500 -0.039 0.000 2.720 55 R HA 0.394 4.732 4.340 -0.004 0.000 0.272 55 R C -1.353 174.949 176.300 0.003 0.000 0.991 55 R CA -2.219 53.874 56.100 -0.013 0.000 1.010 55 R CB 3.844 34.134 30.300 -0.017 0.000 1.141 55 R HN 0.742 8.870 8.270 -0.055 0.109 0.494 56 I N 4.325 124.901 120.570 0.009 0.000 2.269 56 I HA 0.118 4.432 4.170 0.017 -0.134 0.293 56 I C -0.078 176.047 176.117 0.012 0.000 1.106 56 I CA -0.193 61.115 61.300 0.013 0.000 1.248 56 I CB -1.093 36.914 38.000 0.013 0.000 1.444 56 I HN 0.479 8.694 8.210 0.008 0.000 0.497 57 D N 8.172 128.580 120.400 0.014 0.000 2.106 57 D HA -0.263 4.383 4.640 0.010 0.000 0.191 57 D C -0.137 176.172 176.300 0.016 0.000 0.997 57 D CA 2.843 56.851 54.000 0.014 0.000 0.834 57 D CB 0.538 41.348 40.800 0.017 0.000 0.956 57 D HN -0.137 8.242 8.370 0.016 0.000 0.448 58 R N -3.788 116.724 120.500 0.021 0.000 2.725 58 R HA 0.212 4.565 4.340 0.021 0.000 0.277 58 R C -2.263 174.053 176.300 0.028 0.000 0.987 58 R CA -0.896 55.219 56.100 0.025 0.000 0.901 58 R CB 2.976 33.295 30.300 0.030 0.000 1.207 58 R HN -0.737 7.546 8.270 0.023 0.000 0.463 59 K N 4.818 125.235 120.400 0.029 0.000 2.578 59 K HA 0.369 4.840 4.320 0.034 -0.130 0.250 59 K C -1.375 175.252 176.600 0.046 0.000 0.955 59 K CA -1.081 55.225 56.287 0.032 0.000 0.825 59 K CB 2.055 34.566 32.500 0.017 0.000 1.151 59 K HN 0.071 8.337 8.250 0.027 0.000 0.432 60 V N 2.672 122.634 119.914 0.080 0.000 2.498 60 V HA 0.236 4.394 4.120 0.063 0.000 0.279 60 V C -1.060 175.088 176.094 0.090 0.000 1.048 60 V CA -1.199 61.161 62.300 0.100 0.000 0.967 60 V CB 1.187 33.124 31.823 0.190 0.000 0.988 60 V HN -0.076 8.168 8.190 0.091 0.000 0.473 61 N N 3.021 121.740 118.700 0.032 0.000 2.320 61 N HA 0.042 4.800 4.740 0.031 0.000 0.237 61 N C 0.339 175.820 175.510 -0.048 0.000 1.129 61 N CA 0.305 53.360 53.050 0.008 0.000 0.854 61 N CB 0.130 38.613 38.487 -0.007 0.000 1.083 61 N HN 0.498 8.887 8.380 0.016 0.000 0.504 62 S N -0.822 114.811 115.700 -0.111 0.000 2.458 62 S HA 0.038 4.352 4.470 -0.260 0.000 0.223 62 S C -0.189 174.134 174.600 -0.461 0.000 1.019 62 S CA 2.087 60.076 58.200 -0.352 0.000 0.937 62 S CB 0.229 63.100 63.200 -0.548 0.000 0.788 62 S HN 0.234 8.433 8.310 -0.032 0.093 0.511 63 W N -0.192 121.109 121.300 0.001 0.000 2.630 63 W HA 0.332 4.989 4.660 -0.005 0.000 0.365 63 W C -0.442 176.040 176.519 -0.061 0.000 1.270 63 W CA -1.183 56.149 57.345 -0.022 0.000 1.291 63 W CB 1.092 30.538 29.460 -0.024 0.000 1.440 63 W HN -0.802 7.438 8.180 0.101 0.000 0.652 64 S N -0.923 114.883 115.700 0.176 0.000 2.741 64 S HA 0.100 4.596 4.470 0.044 0.000 0.247 64 S C -0.460 174.135 174.600 -0.009 0.000 1.050 64 S CA -0.429 57.803 58.200 0.053 0.000 1.025 64 S CB 0.248 63.470 63.200 0.036 0.000 0.897 64 S HN 0.148 8.592 8.310 0.223 0.000 0.508 65 G N 2.221 110.989 108.800 -0.052 0.000 2.504 65 G HA2 0.028 3.952 3.960 -0.061 0.000 0.257 65 G HA3 0.028 3.860 3.960 -0.212 0.000 0.257 65 G C -1.663 173.129 174.900 -0.181 0.000 1.451 65 G CA -1.197 43.825 45.100 -0.130 0.000 1.059 65 G HN -0.244 7.989 8.290 0.013 0.065 0.550 66 S N -2.293 113.178 115.700 -0.380 0.000 2.705 66 S HA 0.241 4.580 4.470 -0.219 0.000 0.280 66 S C -1.599 172.660 174.600 -0.569 0.000 1.174 66 S CA -1.808 56.209 58.200 -0.307 0.000 0.823 66 S CB 1.433 64.592 63.200 -0.068 0.000 1.162 66 S HN -0.139 7.802 8.310 -0.615 0.000 0.487 67 I N 1.453 121.882 120.570 -0.235 0.000 2.377 67 I HA 0.132 4.140 4.170 -0.271 0.000 0.293 67 I C -1.751 174.394 176.117 0.046 0.000 0.987 67 I CA -1.390 59.825 61.300 -0.141 0.000 1.185 67 I CB 2.244 40.208 38.000 -0.060 0.000 1.341 67 I HN 0.244 8.380 8.210 -0.123 0.000 0.455 68 E N 8.202 128.495 120.200 0.155 0.000 2.166 68 E HA 0.422 5.057 4.350 0.158 -0.190 0.275 68 E C -1.733 174.957 176.600 0.149 0.000 0.941 68 E CA -1.238 55.274 56.400 0.186 0.000 0.784 68 E CB 2.845 32.696 29.700 0.252 0.000 1.115 68 E HN -0.049 8.412 8.360 0.169 0.000 0.399 69 I N 2.736 123.389 120.570 0.138 0.000 2.775 69 I HA 0.403 4.787 4.170 0.151 -0.123 0.295 69 I C -2.345 173.861 176.117 0.148 0.000 1.287 69 I CA -1.438 59.951 61.300 0.149 0.000 1.029 69 I CB 3.558 41.654 38.000 0.161 0.000 1.282 69 I HN -0.409 7.880 8.210 0.131 0.000 0.426 70 G N 5.288 114.182 108.800 0.157 0.000 2.512 70 G HA2 0.531 4.584 3.960 0.155 0.000 0.186 70 G HA3 0.531 4.789 3.960 0.172 -0.195 0.186 70 G C -3.125 171.871 174.900 0.160 0.000 1.189 70 G CA 0.867 46.064 45.100 0.162 0.000 0.994 70 G HN 0.282 8.667 8.290 0.158 0.000 0.506 71 V N -5.052 114.982 119.914 0.199 0.000 3.114 71 V HA 1.145 5.529 4.120 0.152 -0.173 0.308 71 V C -2.382 173.887 176.094 0.292 0.000 1.168 71 V CA -2.873 59.545 62.300 0.197 0.000 1.015 71 V CB 4.205 36.107 31.823 0.132 0.000 1.050 71 V HN 0.492 8.835 8.190 0.254 0.000 0.433 72 T N 0.090 114.812 114.554 0.281 0.000 2.865 72 T HA 0.535 5.079 4.350 0.323 0.000 0.294 72 T C -1.764 173.147 174.700 0.351 0.000 1.119 72 T CA -2.427 59.849 62.100 0.292 0.000 1.007 72 T CB 2.828 71.806 68.868 0.183 0.000 1.225 72 T HN 0.251 8.648 8.240 0.261 0.000 0.515 73 A N 4.328 127.331 122.820 0.306 0.000 2.535 73 A HA 0.557 5.114 4.320 0.396 0.000 0.273 73 A C -1.514 176.238 177.584 0.279 0.000 1.267 73 A CA -1.197 51.036 52.037 0.327 0.000 0.940 73 A CB 0.648 19.809 19.000 0.268 0.000 1.101 73 A HN 0.059 8.345 8.150 0.227 0.000 0.521 74 L N -1.144 120.176 121.223 0.162 0.000 2.333 74 L HA 0.122 4.445 4.340 -0.029 0.000 0.280 74 L C -0.998 175.623 176.870 -0.415 0.000 1.004 74 L CA -1.329 53.472 54.840 -0.066 0.000 0.820 74 L CB 1.311 43.307 42.059 -0.106 0.000 1.247 74 L HN -0.927 7.335 8.230 0.179 0.075 0.416 75 D N 2.914 122.909 120.400 -0.676 0.000 2.455 75 D HA 0.014 3.209 4.640 -2.407 0.000 0.241 75 D C 0.185 175.964 176.300 -0.868 0.000 1.138 75 D CA -1.502 51.767 54.000 -1.218 0.000 0.877 75 D CB 1.558 41.906 40.800 -0.754 0.000 1.187 75 D HN 0.134 8.270 8.370 -0.389 0.000 0.451 76 P HA -0.081 3.928 4.420 -0.686 0.000 0.226 76 P C 0.556 177.335 177.300 -0.867 0.000 1.153 76 P CA 1.473 64.059 63.100 -0.856 0.000 0.777 76 P CB 0.408 31.561 31.700 -0.911 0.000 0.794 77 S N -1.617 113.669 115.700 -0.690 0.000 2.453 77 S HA -0.050 4.250 4.470 -0.283 0.000 0.231 77 S C 0.695 175.122 174.600 -0.288 0.000 1.005 77 S CA 2.370 60.355 58.200 -0.359 0.000 0.949 77 S CB 0.281 63.385 63.200 -0.160 0.000 0.774 77 S HN -0.135 7.861 8.310 -0.685 -0.097 0.510 78 V N -7.071 112.634 119.914 -0.348 0.000 2.967 78 V HA 0.271 4.245 4.120 -0.244 0.000 0.364 78 V C -1.160 174.737 176.094 -0.328 0.000 1.373 78 V CA -2.142 59.991 62.300 -0.278 0.000 1.193 78 V CB 0.689 32.395 31.823 -0.195 0.000 1.236 78 V HN -0.736 7.054 8.190 -0.431 0.141 0.582 79 L N 0.083 121.026 121.223 -0.466 0.000 2.379 79 L HA 0.254 4.383 4.340 -0.351 0.000 0.269 79 L C -0.295 176.244 176.870 -0.552 0.000 1.084 79 L CA 0.183 54.730 54.840 -0.489 0.000 0.802 79 L CB 1.902 43.620 42.059 -0.568 0.000 1.175 79 L HN -0.914 6.987 8.230 -0.548 0.000 0.448 80 D N 4.209 124.385 120.400 -0.373 0.000 2.499 80 D HA 0.073 4.525 4.640 -0.313 0.000 0.225 80 D C -0.651 175.540 176.300 -0.182 0.000 1.124 80 D CA -1.850 51.984 54.000 -0.276 0.000 0.938 80 D CB -0.468 40.237 40.800 -0.158 0.000 1.014 80 D HN 0.073 8.271 8.370 -0.285 0.000 0.517 81 F N 4.431 124.325 119.950 -0.092 0.000 2.474 81 F HA -0.205 4.275 4.527 -0.078 0.000 0.375 81 F C -1.036 174.712 175.800 -0.086 0.000 1.090 81 F CA -2.279 55.671 58.000 -0.083 0.000 1.044 81 F CB -0.734 38.219 39.000 -0.077 0.000 1.018 81 F HN -0.484 7.485 8.300 -0.553 0.000 0.560 82 P HA 0.026 4.443 4.420 -0.006 0.000 0.296 82 P C -0.265 177.031 177.300 -0.006 0.000 1.295 82 P CA -1.122 61.989 63.100 0.019 0.000 0.754 82 P CB 0.997 32.698 31.700 0.002 0.000 1.311 83 S N -2.620 113.058 115.700 -0.037 0.000 2.419 83 S HA -0.242 4.185 4.470 -0.072 0.000 0.233 83 S C -0.806 173.752 174.600 -0.070 0.000 1.016 83 S CA 2.654 60.819 58.200 -0.057 0.000 0.974 83 S CB 0.447 63.616 63.200 -0.052 0.000 0.786 83 S HN 0.430 8.718 8.310 -0.036 0.000 0.492 84 S N -6.597 109.067 115.700 -0.061 0.000 2.615 84 S HA 0.140 4.659 4.470 -0.066 -0.089 0.268 84 S C -0.706 173.882 174.600 -0.021 0.000 1.146 84 S CA -1.241 56.911 58.200 -0.079 0.000 0.818 84 S CB 2.878 65.959 63.200 -0.198 0.000 1.111 84 S HN -0.928 7.324 8.310 -0.040 0.034 0.465 85 A N 1.579 124.408 122.820 0.014 0.000 1.892 85 A HA -0.255 4.101 4.320 0.061 0.000 0.218 85 A C 1.430 179.033 177.584 0.032 0.000 1.188 85 A CA 3.627 55.695 52.037 0.051 0.000 0.631 85 A CB -0.428 18.627 19.000 0.092 0.000 0.822 85 A HN 0.536 8.992 8.150 0.021 -0.293 0.447 86 T N -3.856 110.707 114.554 0.016 0.000 3.007 86 T HA -0.300 4.057 4.350 0.011 0.000 0.270 86 T C 1.067 175.752 174.700 -0.025 0.000 1.107 86 T CA 2.246 64.346 62.100 0.001 0.000 1.118 86 T CB -0.504 68.365 68.868 0.001 0.000 0.889 86 T HN 0.142 8.785 8.240 0.013 -0.396 0.506 87 G N -0.035 108.747 108.800 -0.030 0.000 3.440 87 G HA2 0.127 4.062 3.960 -0.042 0.000 0.263 87 G HA3 0.127 4.064 3.960 -0.040 0.000 0.263 87 G C -0.559 174.321 174.900 -0.032 0.000 1.236 87 G CA -0.875 44.203 45.100 -0.037 0.000 0.927 87 G HN -0.401 7.668 8.290 -0.027 0.205 0.530 88 L N -0.694 120.512 121.223 -0.029 0.000 2.379 88 L HA 0.211 4.535 4.340 -0.027 0.000 0.269 88 L C -0.953 175.874 176.870 -0.070 0.000 1.084 88 L CA -0.521 54.299 54.840 -0.032 0.000 0.802 88 L CB 1.504 43.561 42.059 -0.003 0.000 1.175 88 L HN -0.786 7.325 8.230 -0.025 0.103 0.448 89 K N -0.247 120.108 120.400 -0.076 0.000 2.126 89 K HA 0.235 4.474 4.320 -0.135 0.000 0.245 89 K C -0.085 176.455 176.600 -0.101 0.000 1.068 89 K CA -1.441 54.785 56.287 -0.103 0.000 0.877 89 K CB 2.617 35.066 32.500 -0.085 0.000 1.406 89 K HN 0.116 8.329 8.250 -0.062 0.000 0.490 90 G N -1.421 107.317 108.800 -0.104 0.000 2.333 90 G HA2 -0.330 3.588 3.960 -0.070 0.000 0.296 90 G HA3 -0.330 3.597 3.960 -0.056 0.000 0.296 90 G C 0.138 174.989 174.900 -0.081 0.000 1.059 90 G CA 0.103 45.157 45.100 -0.077 0.000 1.050 90 G HN 0.531 8.756 8.290 -0.108 0.000 0.508 91 G N -2.042 106.646 108.800 -0.187 0.000 2.392 91 G HA2 -0.463 3.189 3.960 -0.600 0.000 0.290 91 G HA3 -0.463 3.458 3.960 -0.065 0.000 0.290 91 G C -1.551 173.177 174.900 -0.286 0.000 1.032 91 G CA 0.255 45.173 45.100 -0.302 0.000 1.269 91 G HN -0.538 7.717 8.290 -0.217 -0.096 0.511 92 S N -2.280 113.141 115.700 -0.465 0.000 2.647 92 S HA 0.490 5.157 4.470 0.173 -0.093 0.300 92 S C -1.028 173.422 174.600 -0.250 0.000 1.129 92 S CA -1.243 56.873 58.200 -0.140 0.000 1.029 92 S CB 2.567 65.741 63.200 -0.043 0.000 1.007 92 S HN 0.322 8.662 8.310 -0.575 -0.375 0.484 93 W N 3.783 125.095 121.300 0.020 0.000 2.433 93 W HA 0.634 5.494 4.660 -0.000 -0.201 0.315 93 W C -1.029 175.498 176.519 0.014 0.000 1.087 93 W CA -1.221 56.128 57.345 0.007 0.000 1.205 93 W CB 2.528 31.986 29.460 -0.004 0.000 1.288 93 W HN 0.884 9.498 8.180 0.724 0.000 0.504 94 V N 1.434 121.449 119.914 0.169 0.000 2.925 94 V HA 0.227 4.434 4.120 0.145 0.000 0.311 94 V C -1.879 174.271 176.094 0.092 0.000 1.104 94 V CA -1.865 60.508 62.300 0.122 0.000 0.954 94 V CB 4.117 35.989 31.823 0.082 0.000 1.022 94 V HN 0.858 9.010 8.190 0.116 0.108 0.427 95 V N 4.849 124.817 119.914 0.090 0.000 2.334 95 V HA 0.486 4.841 4.120 0.046 -0.207 0.281 95 V C 0.239 176.386 176.094 0.088 0.000 1.016 95 V CA -1.499 60.842 62.300 0.069 0.000 0.832 95 V CB -0.124 31.737 31.823 0.063 0.000 0.999 95 V HN -0.006 8.248 8.190 0.107 0.000 0.439 96 S N 7.803 123.551 115.700 0.079 0.000 2.849 96 S HA 0.056 4.599 4.470 0.122 0.000 0.244 96 S C -0.219 174.433 174.600 0.085 0.000 1.297 96 S CA -1.351 56.905 58.200 0.094 0.000 1.241 96 S CB -0.944 62.303 63.200 0.078 0.000 0.958 96 S HN 0.850 9.198 8.310 0.062 0.000 0.489 97 G N 2.006 110.857 108.800 0.085 0.000 3.038 97 G HA2 -0.374 3.635 3.960 0.081 0.000 0.241 97 G HA3 -0.374 3.624 3.960 0.063 0.000 0.241 97 G C -0.084 174.867 174.900 0.085 0.000 0.968 97 G CA -0.113 45.034 45.100 0.078 0.000 0.949 97 G HN -0.545 7.702 8.290 0.091 0.098 0.394 98 C N 0.007 119.378 119.300 0.117 0.000 4.297 98 C HA -0.433 4.277 4.460 0.217 -0.120 0.290 98 C C -1.645 173.419 174.990 0.125 0.000 1.444 98 C CA 0.789 59.892 59.018 0.143 0.000 1.982 98 C CB -0.764 27.032 27.740 0.093 0.000 1.276 98 C HN 0.227 8.538 8.230 0.136 0.000 0.797 99 S N -2.869 112.886 115.700 0.092 0.000 2.775 99 S HA 0.362 5.002 4.470 0.064 -0.131 0.277 99 S C -1.522 173.095 174.600 0.028 0.000 1.156 99 S CA -0.249 57.987 58.200 0.059 0.000 1.081 99 S CB 2.629 65.860 63.200 0.052 0.000 1.054 99 S HN -0.510 7.805 8.310 0.091 0.049 0.482 100 V N 6.705 126.614 119.914 -0.008 0.000 2.432 100 V HA 0.140 4.389 4.120 -0.013 -0.137 0.275 100 V C -1.407 174.702 176.094 0.024 0.000 1.043 100 V CA 0.503 62.790 62.300 -0.022 0.000 0.925 100 V CB 0.317 32.075 31.823 -0.109 0.000 0.985 100 V HN 0.618 8.806 8.190 -0.003 0.000 0.466 101 L N 5.817 127.062 121.223 0.036 0.000 2.309 101 L HA 0.890 5.357 4.340 -0.006 -0.130 0.261 101 L C -1.647 175.182 176.870 -0.068 0.000 1.021 101 L CA -1.542 53.295 54.840 -0.005 0.000 0.823 101 L CB 4.027 46.076 42.059 -0.016 0.000 1.366 101 L HN 1.079 9.235 8.230 0.051 0.105 0.423 102 R N -1.686 118.697 120.500 -0.196 0.000 2.510 102 R HA 0.650 4.838 4.340 -0.607 -0.213 0.294 102 R C -0.946 175.127 176.300 -0.379 0.000 1.056 102 R CA -1.155 54.645 56.100 -0.501 0.000 0.918 102 R CB 2.302 32.153 30.300 -0.749 0.000 1.187 102 R HN 0.770 8.842 8.270 -0.140 0.114 0.437 103 D N 1.881 122.065 120.400 -0.360 0.000 3.012 103 D HA -0.279 4.421 4.640 -0.211 -0.186 0.222 103 D C 0.111 176.321 176.300 -0.150 0.000 1.167 103 D CA 1.461 55.317 54.000 -0.240 0.000 0.854 103 D CB -1.580 39.071 40.800 -0.249 0.000 1.107 103 D HN 0.748 8.780 8.370 -0.395 0.101 0.421 104 G N -3.406 105.319 108.800 -0.125 0.000 2.165 104 G HA2 -0.424 3.626 3.960 -0.063 0.000 0.226 104 G HA3 -0.424 3.493 3.960 -0.072 0.000 0.226 104 G C -1.979 172.878 174.900 -0.070 0.000 1.035 104 G CA 0.196 45.248 45.100 -0.080 0.000 0.744 104 G HN 0.316 8.484 8.290 -0.142 0.037 0.501 105 R N -1.425 119.026 120.500 -0.083 0.000 2.538 105 R HA 0.228 4.542 4.340 -0.044 0.000 0.292 105 R C -1.700 174.574 176.300 -0.044 0.000 1.008 105 R CA -1.900 54.164 56.100 -0.060 0.000 0.896 105 R CB 2.724 32.982 30.300 -0.070 0.000 1.187 105 R HN -0.378 7.805 8.270 -0.110 0.021 0.440 106 S N 6.291 121.979 115.700 -0.020 0.000 2.510 106 S HA -0.059 4.534 4.470 -0.000 -0.124 0.279 106 S C 0.518 175.121 174.600 0.005 0.000 1.284 106 S CA 0.083 58.281 58.200 -0.003 0.000 1.059 106 S CB 0.102 63.305 63.200 0.006 0.000 0.901 106 S HN 0.476 8.775 8.310 -0.018 0.000 0.491 107 V N 3.732 123.657 119.914 0.018 0.000 3.250 107 V HA 0.464 4.599 4.120 0.025 0.000 0.240 107 V C -1.020 175.096 176.094 0.037 0.000 1.275 107 V CA -0.281 62.038 62.300 0.031 0.000 1.206 107 V CB 1.375 33.231 31.823 0.054 0.000 0.976 107 V HN 0.616 8.818 8.190 0.020 0.000 0.467 108 L N 0.205 121.449 121.223 0.035 0.000 2.401 108 L HA 0.478 4.847 4.340 0.048 0.000 0.266 108 L C -2.301 174.598 176.870 0.048 0.000 0.991 108 L CA -0.439 54.426 54.840 0.041 0.000 0.818 108 L CB 3.560 45.637 42.059 0.030 0.000 1.321 108 L HN -0.619 7.630 8.230 0.030 0.000 0.413 109 E N 3.189 123.430 120.200 0.068 0.000 2.410 109 E HA 0.399 4.908 4.350 0.078 -0.112 0.269 109 E C -1.009 175.652 176.600 0.101 0.000 0.937 109 E CA -1.210 55.235 56.400 0.076 0.000 0.793 109 E CB 3.030 32.761 29.700 0.052 0.000 1.314 109 E HN 0.088 8.489 8.360 0.068 0.000 0.447 110 E N -5.091 115.165 120.200 0.094 0.000 2.586 110 E HA -0.485 3.905 4.350 0.067 0.000 0.259 110 E C -1.424 175.243 176.600 0.112 0.000 1.107 110 E CA 1.002 57.451 56.400 0.080 0.000 0.754 110 E CB -2.063 27.666 29.700 0.049 0.000 1.335 110 E HN 0.152 8.562 8.360 0.083 0.000 0.411 111 Y N 0.114 120.419 120.300 0.008 0.000 2.641 111 Y HA -0.229 4.319 4.550 -0.002 0.000 0.351 111 Y C 1.433 177.327 175.900 -0.011 0.000 1.269 111 Y CA 1.577 59.677 58.100 0.001 0.000 1.485 111 Y CB 0.741 39.207 38.460 0.010 0.000 1.364 111 Y HN -0.925 7.479 8.280 0.251 0.027 0.651 112 G N 1.378 109.706 108.800 -0.787 0.000 2.511 112 G HA2 -0.369 3.399 3.960 -0.320 0.000 0.216 112 G HA3 -0.369 3.173 3.960 -0.697 0.000 0.216 112 G C -0.461 174.220 174.900 -0.366 0.000 1.218 112 G CA 0.982 45.743 45.100 -0.564 0.000 0.788 112 G HN 0.286 7.689 8.290 -1.478 0.000 0.560 113 Q N 1.428 120.979 119.800 -0.414 0.000 2.288 113 Q HA 0.059 4.340 4.340 -0.098 0.000 0.254 113 Q C -1.342 174.692 176.000 0.056 0.000 0.932 113 Q CA -0.023 55.724 55.803 -0.094 0.000 0.902 113 Q CB 0.926 29.662 28.738 -0.003 0.000 1.203 113 Q HN -0.305 7.444 8.270 -0.868 0.000 0.415 114 D N 2.623 123.046 120.400 0.037 0.000 2.441 114 D HA 0.254 4.950 4.640 0.093 0.000 0.231 114 D C 0.511 176.845 176.300 0.056 0.000 1.073 114 D CA -1.287 52.748 54.000 0.059 0.000 0.850 114 D CB 0.484 41.302 40.800 0.031 0.000 1.062 114 D HN 0.174 8.548 8.370 0.007 0.000 0.524 115 L N 1.342 122.610 121.223 0.074 0.000 2.201 115 L HA -0.259 4.115 4.340 0.056 0.000 0.212 115 L C 1.188 178.076 176.870 0.030 0.000 1.105 115 L CA 2.611 57.486 54.840 0.058 0.000 0.775 115 L CB -0.231 41.872 42.059 0.072 0.000 0.913 115 L HN 0.182 8.470 8.230 0.097 0.000 0.440 116 D N -4.703 115.715 120.400 0.029 0.000 2.310 116 D HA -0.207 4.429 4.640 -0.006 0.000 0.212 116 D C 1.101 177.404 176.300 0.006 0.000 0.965 116 D CA 2.044 56.051 54.000 0.011 0.000 0.879 116 D CB -0.278 40.533 40.800 0.019 0.000 0.921 116 D HN 0.155 8.527 8.370 0.044 0.025 0.510 117 Q N -3.369 116.438 119.800 0.012 0.000 2.269 117 Q HA -0.099 4.244 4.340 0.005 0.000 0.201 117 Q C 0.822 176.825 176.000 0.005 0.000 0.946 117 Q CA 0.283 56.091 55.803 0.008 0.000 0.877 117 Q CB 0.956 29.699 28.738 0.008 0.000 0.963 117 Q HN -0.576 7.533 8.270 0.021 0.173 0.472 118 L N -1.122 120.106 121.223 0.008 0.000 2.503 118 L HA -0.271 4.075 4.340 0.010 0.000 0.287 118 L C 0.026 176.896 176.870 0.001 0.000 1.252 118 L CA 1.027 55.872 54.840 0.007 0.000 0.835 118 L CB 0.370 42.436 42.059 0.011 0.000 1.099 118 L HN -0.762 7.331 8.230 0.013 0.144 0.516 119 G N -1.344 107.457 108.800 0.003 0.000 3.411 119 G HA2 -0.090 3.870 3.960 0.000 0.000 0.241 119 G HA3 -0.090 3.870 3.960 0.001 0.000 0.241 119 G C -1.147 173.756 174.900 0.005 0.000 3.906 119 G CA -0.229 44.872 45.100 0.002 0.000 0.435 119 G HN 0.118 8.411 8.290 0.006 0.000 0.284 120 E N 0.474 120.678 120.200 0.007 0.000 4.156 120 E HA -0.493 3.862 4.350 0.009 0.000 0.158 120 E C 0.018 176.621 176.600 0.006 0.000 1.861 120 E CA 0.923 57.328 56.400 0.008 0.000 0.926 120 E CB -0.804 28.901 29.700 0.008 0.000 1.062 120 E HN 0.221 8.585 8.360 0.007 0.000 0.347 121 G N 2.387 111.192 108.800 0.007 0.000 2.155 121 G HA2 -0.256 3.708 3.960 0.006 0.000 0.130 121 G HA3 -0.256 3.708 3.960 0.005 0.000 0.130 121 G C -1.695 173.210 174.900 0.008 0.000 1.027 121 G CA -0.264 44.839 45.100 0.006 0.000 0.705 121 G HN 0.547 8.842 8.290 0.008 0.000 0.496 122 D N -0.635 119.771 120.400 0.011 0.000 2.764 122 D HA 0.256 4.906 4.640 0.016 0.000 0.227 122 D C -1.561 174.752 176.300 0.020 0.000 1.347 122 D CA -0.112 53.897 54.000 0.016 0.000 0.953 122 D CB 2.865 43.674 40.800 0.015 0.000 1.476 122 D HN -0.113 8.264 8.370 0.010 0.000 0.585 123 R N -0.328 120.186 120.500 0.024 0.000 2.643 123 R HA 0.135 4.530 4.340 0.023 -0.041 0.272 123 R C -1.823 174.507 176.300 0.049 0.000 0.995 123 R CA -1.285 54.831 56.100 0.026 0.000 1.032 123 R CB 2.182 32.489 30.300 0.012 0.000 1.126 123 R HN 0.103 8.387 8.270 0.024 0.000 0.505 124 V N -1.772 118.177 119.914 0.059 0.000 3.049 124 V HA 0.723 5.071 4.120 0.116 -0.159 0.309 124 V C -1.303 174.859 176.094 0.114 0.000 1.148 124 V CA -1.648 60.712 62.300 0.100 0.000 0.990 124 V CB 4.223 36.110 31.823 0.105 0.000 1.039 124 V HN 0.455 8.671 8.190 0.042 0.000 0.430 125 G N 1.315 110.223 108.800 0.180 0.000 2.690 125 G HA2 0.703 4.859 3.960 0.183 0.000 0.291 125 G HA3 0.703 4.753 3.960 0.155 0.004 0.291 125 G C -2.915 172.163 174.900 0.297 0.000 1.403 125 G CA -0.628 44.593 45.100 0.202 0.000 0.864 125 G HN 0.251 8.671 8.290 0.217 0.000 0.480 126 V N -5.164 114.933 119.914 0.305 0.000 3.019 126 V HA 1.164 5.637 4.120 0.313 -0.165 0.317 126 V C -2.104 174.148 176.094 0.264 0.000 1.094 126 V CA -4.083 58.391 62.300 0.290 0.000 1.000 126 V CB 4.038 35.996 31.823 0.226 0.000 1.060 126 V HN 0.393 8.686 8.190 0.326 0.092 0.443 127 E N 0.420 120.760 120.200 0.234 0.000 2.372 127 E HA 0.399 4.809 4.350 0.100 0.000 0.279 127 E C -2.398 174.250 176.600 0.081 0.000 0.946 127 E CA -1.331 55.168 56.400 0.165 0.000 0.769 127 E CB 4.049 33.916 29.700 0.279 0.000 1.230 127 E HN 0.417 8.906 8.360 0.214 0.000 0.442 128 R N 7.155 127.664 120.500 0.014 0.000 2.358 128 R HA 0.460 4.906 4.340 -0.079 -0.154 0.309 128 R C -0.539 175.736 176.300 -0.042 0.000 1.026 128 R CA -1.610 54.457 56.100 -0.054 0.000 0.909 128 R CB 1.872 32.111 30.300 -0.101 0.000 1.153 128 R HN 0.521 8.798 8.270 0.010 0.000 0.515 129 T N 4.131 118.667 114.554 -0.029 0.000 2.903 129 T HA 0.045 4.509 4.350 0.005 -0.111 0.314 129 T C 2.051 176.725 174.700 -0.042 0.000 1.078 129 T CA -0.007 62.084 62.100 -0.015 0.000 1.114 129 T CB 1.530 70.398 68.868 -0.001 0.000 0.987 129 T HN 0.210 8.447 8.240 -0.033 -0.016 0.548 130 V N 0.611 120.507 119.914 -0.030 0.000 2.380 130 V HA -0.499 3.594 4.120 -0.045 0.000 0.251 130 V C 1.630 177.701 176.094 -0.039 0.000 1.063 130 V CA 3.216 65.495 62.300 -0.036 0.000 1.055 130 V CB -0.577 31.231 31.823 -0.024 0.000 0.657 130 V HN 0.454 8.634 8.190 -0.016 0.000 0.455 131 A N -0.835 121.965 122.820 -0.033 0.000 2.070 131 A HA -0.136 4.168 4.320 -0.026 0.000 0.220 131 A C 0.575 178.127 177.584 -0.053 0.000 1.159 131 A CA 1.325 53.342 52.037 -0.033 0.000 0.656 131 A CB -0.789 18.196 19.000 -0.024 0.000 0.800 131 A HN 0.124 8.248 8.150 -0.026 0.011 0.453 132 G N -2.824 105.927 108.800 -0.082 0.000 2.237 132 G HA2 -0.248 3.653 3.960 -0.156 0.000 0.153 132 G HA3 -0.248 3.643 3.960 -0.116 0.000 0.153 132 G C -1.428 173.354 174.900 -0.197 0.000 1.039 132 G CA -0.474 44.545 45.100 -0.136 0.000 0.719 132 G HN -0.260 7.811 8.290 -0.074 0.174 0.491 133 E N -0.620 119.485 120.200 -0.158 0.000 2.158 133 E HA 0.505 4.862 4.350 -0.226 -0.143 0.271 133 E C -1.675 174.819 176.600 -0.177 0.000 0.911 133 E CA -1.873 54.426 56.400 -0.168 0.000 0.767 133 E CB 2.899 32.551 29.700 -0.079 0.000 1.120 133 E HN 0.116 8.409 8.360 -0.112 0.000 0.405 134 L N 6.861 127.922 121.223 -0.271 0.000 2.319 134 L HA 0.633 5.096 4.340 -0.150 -0.213 0.280 134 L C -1.624 175.199 176.870 -0.078 0.000 1.099 134 L CA -0.635 54.082 54.840 -0.205 0.000 0.828 134 L CB 1.079 42.941 42.059 -0.328 0.000 1.150 134 L HN 0.527 8.539 8.230 -0.364 0.000 0.442 135 R N 4.426 124.948 120.500 0.036 0.000 2.888 135 R HA 0.421 4.805 4.340 0.073 0.000 0.266 135 R C -1.977 174.435 176.300 0.186 0.000 1.020 135 R CA -1.757 54.404 56.100 0.102 0.000 0.963 135 R CB 4.411 34.785 30.300 0.123 0.000 1.197 135 R HN 0.906 9.105 8.270 0.067 0.110 0.481 136 L N -1.638 119.673 121.223 0.148 0.000 2.323 136 L HA 0.774 5.485 4.340 0.324 -0.177 0.265 136 L C -1.550 175.317 176.870 -0.004 0.000 1.012 136 L CA -1.766 53.200 54.840 0.210 0.000 0.820 136 L CB 3.687 45.905 42.059 0.265 0.000 1.334 136 L HN -0.244 8.053 8.230 0.113 0.000 0.427 137 W N -1.316 120.035 121.300 0.085 0.000 2.900 137 W HA 0.517 5.409 4.660 0.042 -0.207 0.336 137 W C -1.385 175.156 176.519 0.036 0.000 1.064 137 W CA -0.969 56.405 57.345 0.049 0.000 1.237 137 W CB 2.897 32.377 29.460 0.034 0.000 1.391 137 W HN 0.887 9.204 8.180 0.398 0.102 0.468 138 V N 1.720 121.744 119.914 0.184 0.000 2.384 138 V HA 0.272 4.611 4.120 0.123 -0.145 0.287 138 V C -0.439 175.721 176.094 0.110 0.000 1.020 138 V CA -2.023 60.347 62.300 0.117 0.000 0.850 138 V CB 1.937 33.792 31.823 0.052 0.000 0.987 138 V HN -0.275 7.984 8.190 0.115 0.000 0.436 139 N N 7.664 126.419 118.700 0.092 0.000 2.708 139 N HA -0.282 4.488 4.740 0.050 0.000 0.251 139 N C -0.098 175.469 175.510 0.095 0.000 1.123 139 N CA 1.418 54.509 53.050 0.069 0.000 0.739 139 N CB 0.051 38.566 38.487 0.046 0.000 1.113 139 N HN 0.213 8.644 8.380 0.085 0.000 0.561 140 G N -4.889 104.006 108.800 0.158 0.000 2.248 140 G HA2 -0.356 3.735 3.960 0.218 0.000 0.252 140 G HA3 -0.356 3.672 3.960 0.115 0.000 0.252 140 G C -1.673 173.419 174.900 0.319 0.000 1.085 140 G CA 0.301 45.523 45.100 0.204 0.000 0.845 140 G HN 0.180 8.539 8.290 0.183 0.041 0.494 141 R N -1.788 118.936 120.500 0.372 0.000 2.673 141 R HA 0.187 4.684 4.340 0.261 0.000 0.281 141 R C -1.698 174.532 176.300 -0.116 0.000 0.991 141 R CA -1.943 54.277 56.100 0.199 0.000 0.896 141 R CB 3.408 33.740 30.300 0.054 0.000 1.201 141 R HN -0.457 7.955 8.270 0.363 0.076 0.457 142 D N 1.602 121.712 120.400 -0.483 0.000 2.424 142 D HA -0.081 3.379 4.640 -1.965 0.000 0.244 142 D C -0.052 175.913 176.300 -0.559 0.000 1.134 142 D CA 0.651 54.045 54.000 -1.011 0.000 0.881 142 D CB 0.472 40.830 40.800 -0.736 0.000 1.191 142 D HN 0.203 8.443 8.370 -0.217 0.000 0.445 143 C N 3.472 122.428 119.300 -0.574 0.000 3.270 143 C HA 0.500 4.750 4.460 -0.351 0.000 0.369 143 C C -0.552 174.195 174.990 -0.405 0.000 1.326 143 C CA -1.421 57.354 59.018 -0.406 0.000 1.846 143 C CB 2.675 30.218 27.740 -0.328 0.000 2.534 143 C HN 0.128 7.893 8.230 -0.775 0.000 0.649 144 G N -1.776 106.855 108.800 -0.282 0.000 2.270 144 G HA2 -0.130 3.754 3.960 -0.128 0.000 0.268 144 G HA3 -0.130 3.744 3.960 -0.144 0.000 0.268 144 G C -3.179 171.784 174.900 0.106 0.000 1.312 144 G CA -0.493 44.540 45.100 -0.111 0.000 1.050 144 G HN -0.430 7.803 8.290 -0.365 -0.162 0.474 145 V N 1.315 121.353 119.914 0.208 0.000 2.384 145 V HA 0.141 4.318 4.120 0.096 0.000 0.287 145 V C -0.707 175.469 176.094 0.137 0.000 1.020 145 V CA -0.932 61.456 62.300 0.147 0.000 0.850 145 V CB 1.295 33.151 31.823 0.056 0.000 0.987 145 V HN 0.188 8.490 8.190 0.188 0.000 0.436 146 A N 8.805 131.537 122.820 -0.146 0.000 1.835 146 A HA 0.030 3.868 4.320 -0.803 0.000 0.213 146 A C -1.083 176.404 177.584 -0.161 0.000 1.210 146 A CA 1.917 53.683 52.037 -0.452 0.000 0.605 146 A CB 0.997 19.683 19.000 -0.523 0.000 0.860 146 A HN 0.953 9.045 8.150 -0.097 0.000 0.447 147 A N -5.712 117.036 122.820 -0.120 0.000 2.569 147 A HA 0.316 4.648 4.320 0.020 0.000 0.290 147 A C -2.741 174.762 177.584 -0.136 0.000 1.136 147 A CA -0.665 51.349 52.037 -0.039 0.000 0.710 147 A CB 2.166 21.265 19.000 0.166 0.000 1.303 147 A HN -0.719 7.325 8.150 -0.177 0.000 0.413 148 T N -5.349 109.177 114.554 -0.046 0.000 2.907 148 T HA 0.532 4.908 4.350 -0.170 -0.129 0.290 148 T C 0.228 174.916 174.700 -0.020 0.000 1.066 148 T CA -1.723 60.329 62.100 -0.081 0.000 1.012 148 T CB 2.912 71.768 68.868 -0.021 0.000 1.184 148 T HN -0.040 8.240 8.240 0.067 0.000 0.522 149 G N 0.785 109.559 108.800 -0.044 0.000 2.370 149 G HA2 -0.367 3.608 3.960 0.025 0.000 0.268 149 G HA3 -0.367 3.671 3.960 0.130 0.000 0.268 149 G C -0.949 173.970 174.900 0.031 0.000 1.122 149 G CA 0.311 45.437 45.100 0.043 0.000 0.963 149 G HN -0.251 7.993 8.290 -0.076 0.000 0.500 150 L N 0.441 121.548 121.223 -0.193 0.000 2.344 150 L HA 0.411 4.595 4.340 -0.260 0.000 0.272 150 L C -1.094 175.733 176.870 -0.071 0.000 1.035 150 L CA -2.823 51.832 54.840 -0.308 0.000 0.807 150 L CB 1.254 42.948 42.059 -0.608 0.000 1.237 150 L HN -0.370 7.631 8.230 -0.198 0.111 0.442 151 P HA 0.342 4.789 4.420 0.045 0.000 0.274 151 P C -0.935 176.350 177.300 -0.024 0.000 1.260 151 P CA -1.492 61.631 63.100 0.038 0.000 0.793 151 P CB -0.950 30.810 31.700 0.101 0.000 1.048 152 P HA -0.111 4.275 4.420 -0.056 0.000 0.226 152 P C -0.765 176.481 177.300 -0.091 0.000 1.153 152 P CA 1.355 64.425 63.100 -0.050 0.000 0.777 152 P CB 0.535 32.216 31.700 -0.031 0.000 0.794 153 R N -1.744 118.698 120.500 -0.096 0.000 2.532 153 R HA 0.166 4.342 4.340 -0.272 0.000 0.297 153 R C -1.804 174.366 176.300 -0.216 0.000 0.984 153 R CA -0.729 55.241 56.100 -0.217 0.000 0.884 153 R CB 2.278 32.445 30.300 -0.221 0.000 1.182 153 R HN -0.707 7.493 8.270 -0.042 0.045 0.442 154 V N -2.331 117.368 119.914 -0.357 0.000 3.181 154 V HA 0.859 5.146 4.120 0.067 -0.127 0.308 154 V C -2.678 173.204 176.094 -0.354 0.000 1.214 154 V CA -3.144 59.056 62.300 -0.167 0.000 1.053 154 V CB 3.449 35.243 31.823 -0.047 0.000 1.069 154 V HN 0.052 7.972 8.190 -0.450 0.000 0.441 155 W N -1.298 119.992 121.300 -0.015 0.000 2.864 155 W HA 0.338 4.948 4.660 -0.084 0.000 0.343 155 W C -1.632 174.818 176.519 -0.114 0.000 1.109 155 W CA -1.658 55.646 57.345 -0.068 0.000 1.192 155 W CB 5.223 34.648 29.460 -0.058 0.000 1.426 155 W HN 0.681 9.061 8.180 0.335 0.000 0.529 156 A N 2.139 124.923 122.820 -0.060 0.000 2.395 156 A HA 0.242 4.487 4.320 -0.125 0.000 0.286 156 A C -1.343 176.140 177.584 -0.167 0.000 1.193 156 A CA -0.565 51.287 52.037 -0.309 0.000 0.852 156 A CB 0.385 18.626 19.000 -1.264 0.000 1.118 156 A HN 0.738 8.839 8.150 -0.082 0.000 0.524 157 V N 5.233 125.152 119.914 0.009 0.000 2.532 157 V HA 0.189 4.345 4.120 0.060 0.000 0.295 157 V C -0.982 175.175 176.094 0.105 0.000 1.041 157 V CA -0.644 61.699 62.300 0.072 0.000 0.926 157 V CB 1.821 33.713 31.823 0.115 0.000 0.992 157 V HN 0.397 8.515 8.190 0.051 0.103 0.457 158 V N 5.034 125.010 119.914 0.104 0.000 3.012 158 V HA 0.325 4.650 4.120 0.146 -0.117 0.307 158 V C -2.525 173.623 176.094 0.090 0.000 1.166 158 V CA -1.353 61.025 62.300 0.130 0.000 0.974 158 V CB 4.652 36.585 31.823 0.183 0.000 1.040 158 V HN 0.466 8.703 8.190 0.079 0.000 0.428 159 D N 3.649 124.117 120.400 0.113 0.000 2.738 159 D HA 0.354 5.035 4.640 0.067 0.000 0.237 159 D C -1.874 174.509 176.300 0.138 0.000 1.123 159 D CA -1.667 52.407 54.000 0.124 0.000 0.856 159 D CB 3.618 44.528 40.800 0.183 0.000 1.552 159 D HN 0.397 8.844 8.370 0.129 0.000 0.480 160 L N 3.130 124.428 121.223 0.125 0.000 2.384 160 L HA 0.323 4.689 4.340 0.044 0.000 0.261 160 L C -1.825 175.129 176.870 0.140 0.000 1.024 160 L CA -0.525 54.367 54.840 0.087 0.000 0.899 160 L CB -0.369 41.721 42.059 0.053 0.000 1.243 160 L HN 0.167 8.460 8.230 0.104 0.000 0.449 161 Y N -1.136 119.175 120.300 0.019 0.000 2.524 161 Y HA 0.332 4.888 4.550 0.011 0.000 0.347 161 Y C -0.428 175.463 175.900 -0.016 0.000 1.005 161 Y CA -1.510 56.601 58.100 0.018 0.000 1.025 161 Y CB 3.054 41.548 38.460 0.056 0.000 1.275 161 Y HN -0.520 7.723 8.280 -0.062 0.000 0.460 162 G N 3.611 112.369 108.800 -0.070 0.000 2.620 162 G HA2 -0.619 3.130 3.960 -0.352 0.000 0.315 162 G HA3 -0.619 3.167 3.960 -0.290 0.000 0.315 162 G C 0.759 175.624 174.900 -0.057 0.000 1.179 162 G CA 1.711 46.690 45.100 -0.202 0.000 0.971 162 G HN 0.147 8.472 8.290 0.058 0.000 0.544 163 K N 4.276 124.591 120.400 -0.142 0.000 2.001 163 K HA -0.201 4.328 4.320 0.038 -0.186 0.214 163 K C 0.565 177.135 176.600 -0.050 0.000 1.050 163 K CA 2.120 58.372 56.287 -0.060 0.000 0.934 163 K CB 0.212 32.646 32.500 -0.110 0.000 0.718 163 K HN -0.085 7.997 8.250 -0.280 0.000 0.443 164 C N -4.354 114.869 119.300 -0.128 0.000 2.601 164 C HA -0.055 4.390 4.460 -0.026 0.000 0.409 164 C C 0.524 175.502 174.990 -0.019 0.000 1.293 164 C CA -0.017 58.963 59.018 -0.062 0.000 2.101 164 C CB 1.251 28.947 27.740 -0.073 0.000 2.639 164 C HN -0.514 7.565 8.230 -0.251 0.000 0.592 165 T N 3.753 118.318 114.554 0.019 0.000 3.105 165 T HA 0.091 4.466 4.350 0.043 0.000 0.257 165 T C -0.895 173.827 174.700 0.038 0.000 0.949 165 T CA 0.308 62.432 62.100 0.040 0.000 0.959 165 T CB 1.571 70.476 68.868 0.062 0.000 1.205 165 T HN -0.101 8.150 8.240 0.018 0.000 0.496 166 Q N 1.890 121.710 119.800 0.033 0.000 2.372 166 Q HA 0.670 5.176 4.340 0.034 -0.145 0.273 166 Q C -1.705 174.314 176.000 0.032 0.000 1.078 166 Q CA -1.156 54.666 55.803 0.033 0.000 0.806 166 Q CB 3.976 32.732 28.738 0.030 0.000 1.332 166 Q HN -0.837 7.451 8.270 0.030 0.000 0.435 167 I N -0.880 119.712 120.570 0.038 0.000 2.865 167 I HA 0.960 5.339 4.170 0.029 -0.191 0.302 167 I C -1.867 174.272 176.117 0.036 0.000 1.140 167 I CA -1.907 59.417 61.300 0.040 0.000 1.021 167 I CB 4.484 42.522 38.000 0.063 0.000 1.233 167 I HN 1.099 9.218 8.210 0.040 0.115 0.427 168 T N 4.907 119.470 114.554 0.014 0.000 2.921 168 T HA 0.390 4.752 4.350 0.020 0.000 0.297 168 T C -0.736 173.933 174.700 -0.052 0.000 1.013 168 T CA -0.340 61.759 62.100 -0.001 0.000 0.990 168 T CB 2.655 71.521 68.868 -0.004 0.000 1.023 168 T HN 0.361 8.604 8.240 0.006 0.000 0.447 169 V N 8.124 127.996 119.914 -0.070 0.000 2.715 169 V HA -0.065 4.007 4.120 -0.364 -0.170 0.299 169 V C -0.243 175.754 176.094 -0.163 0.000 1.054 169 V CA 0.824 62.997 62.300 -0.212 0.000 1.077 169 V CB 0.426 32.142 31.823 -0.179 0.000 0.972 169 V HN -0.015 8.168 8.190 -0.010 0.000 0.484 170 L N 0.000 121.093 121.223 -0.216 0.000 2.949 170 L HA 0.000 4.283 4.340 -0.095 0.000 0.249 170 L CA 0.000 54.758 54.840 -0.136 0.000 0.813 170 L CB 0.000 41.980 42.059 -0.131 0.000 0.961 170 L HN 0.000 8.031 8.230 -0.332 0.000 0.502