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 1a4j_1_H DATA FIRST_RESID 1 DATA SEQUENCE QVQLLESGPE LKKPGETVKI ScKASGYTFT NYGMNWVKQA PGKGLKWMGW DATA SEQUENCE INTYTGEPTY ADDFKGRFAF SLETSASTAY LQINNLKNED TATYFcVQAE DATA SEQUENCE RLRRTFDYWG AGTTVTVSSA STKGPSVFPL APSSKSTSGG TAALGcLVKD DATA SEQUENCE YFPEPVTVSW NSGALTSGVH TFPAVLQSSG LYSLSSVVTV PSSSLGTQTY DATA SEQUENCE IcNVNHKPSN TKVDKKV 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 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1 Q C 0.000 175.835 176.000 -0.276 0.000 1.003 1 Q CA 0.000 55.775 55.803 -0.046 0.000 1.022 1 Q CB 0.000 28.724 28.738 -0.024 0.000 1.108 2 V N 0.900 120.630 119.914 -0.307 0.000 2.305 2 V HA -0.370 3.757 4.120 0.011 0.000 0.118 2 V C 0.304 175.687 176.094 -1.185 0.000 0.453 2 V CA 1.749 63.682 62.300 -0.612 0.000 1.312 2 V CB -2.605 28.839 31.823 -0.633 0.000 1.544 2 V HN 0.490 8.680 8.190 -0.000 0.000 0.972 3 Q N -0.118 119.231 119.800 -0.752 0.000 2.568 3 Q HA 0.198 4.545 4.340 0.011 0.000 0.367 3 Q C -0.155 175.677 176.000 -0.279 0.000 1.138 3 Q CA 0.774 56.309 55.803 -0.447 0.000 1.109 3 Q CB 0.287 28.960 28.738 -0.108 0.000 1.138 3 Q HN 0.633 8.903 8.270 -0.000 0.000 0.419 4 L N 4.178 125.473 121.223 0.120 0.000 2.457 4 L HA 0.361 4.708 4.340 0.011 0.000 0.266 4 L C -1.153 175.820 176.870 0.170 0.000 0.979 4 L CA -0.712 54.229 54.840 0.170 0.000 0.857 4 L CB 1.269 43.516 42.059 0.313 0.000 1.213 4 L HN 0.487 8.717 8.230 -0.000 0.000 0.418 5 L N 3.663 124.936 121.223 0.082 0.000 2.276 5 L HA 0.488 4.835 4.340 0.011 0.000 0.286 5 L C -0.094 176.812 176.870 0.060 0.000 1.024 5 L CA 0.184 55.069 54.840 0.074 0.000 0.826 5 L CB 1.042 43.130 42.059 0.049 0.000 1.211 5 L HN 0.448 8.678 8.230 -0.000 0.000 0.422 6 E N 2.480 122.730 120.200 0.083 0.000 2.280 6 E HA 0.403 4.760 4.350 0.011 0.000 0.264 6 E C -0.191 176.458 176.600 0.082 0.000 1.064 6 E CA -0.587 55.869 56.400 0.095 0.000 0.900 6 E CB 1.067 30.843 29.700 0.127 0.000 1.123 6 E HN 0.775 9.135 8.360 -0.000 0.000 0.418 7 S N 0.015 115.771 115.700 0.092 0.000 2.624 7 S HA 0.356 4.833 4.470 0.011 0.000 0.263 7 S C 0.697 175.339 174.600 0.071 0.000 1.287 7 S CA -0.666 57.581 58.200 0.078 0.000 0.990 7 S CB 0.902 64.156 63.200 0.090 0.000 0.950 7 S HN 0.623 8.933 8.310 -0.000 0.000 0.561 8 G N 0.712 109.547 108.800 0.057 0.000 2.712 8 G HA2 0.426 4.393 3.960 0.011 0.000 0.258 8 G HA3 0.426 4.393 3.960 0.011 0.000 0.258 8 G C -2.487 172.442 174.900 0.050 0.000 1.241 8 G CA -1.199 43.929 45.100 0.046 0.000 0.923 8 G HN 0.643 8.933 8.290 -0.000 0.000 0.548 9 P HA 0.209 4.629 4.420 -0.000 0.000 0.271 9 P C -0.718 176.611 177.300 0.047 0.000 1.218 9 P CA 0.069 63.195 63.100 0.042 0.000 0.780 9 P CB 1.154 32.868 31.700 0.023 0.000 0.901 10 E N 1.571 121.809 120.200 0.063 0.000 2.210 10 E HA 0.396 4.753 4.350 0.011 0.000 0.266 10 E C -0.883 175.765 176.600 0.080 0.000 0.883 10 E CA -0.848 55.591 56.400 0.065 0.000 0.761 10 E CB 2.325 32.065 29.700 0.066 0.000 1.156 10 E HN 0.409 8.769 8.360 -0.000 0.000 0.412 11 L N 3.451 124.722 121.223 0.080 0.000 2.316 11 L HA 0.403 4.750 4.340 0.011 0.000 0.280 11 L C -0.752 176.186 176.870 0.113 0.000 1.006 11 L CA -0.362 54.547 54.840 0.115 0.000 0.836 11 L CB 0.601 42.727 42.059 0.112 0.000 1.221 11 L HN 0.314 8.544 8.230 -0.000 0.000 0.418 12 K N 4.273 124.746 120.400 0.121 0.000 2.395 12 K HA 0.573 4.900 4.320 0.011 0.000 0.245 12 K C -1.129 175.521 176.600 0.084 0.000 1.017 12 K CA -0.962 55.376 56.287 0.085 0.000 0.852 12 K CB 2.967 35.501 32.500 0.058 0.000 1.311 12 K HN 0.479 8.729 8.250 -0.000 0.000 0.452 13 K N 1.362 121.790 120.400 0.047 0.000 2.203 13 K HA 0.405 4.731 4.320 0.011 0.000 0.251 13 K C -2.571 174.033 176.600 0.006 0.000 0.944 13 K CA -2.046 54.254 56.287 0.022 0.000 0.829 13 K CB 1.200 33.705 32.500 0.009 0.000 1.125 13 K HN 0.203 8.453 8.250 -0.000 0.000 0.430 14 P HA -0.118 4.302 4.420 -0.000 0.000 0.264 14 P C 0.602 177.888 177.300 -0.023 0.000 1.179 14 P CA 1.160 64.252 63.100 -0.013 0.000 0.763 14 P CB 0.385 32.073 31.700 -0.019 0.000 0.806 15 G N 1.227 110.007 108.800 -0.034 0.000 2.225 15 G HA2 -0.243 3.724 3.960 0.011 0.000 0.254 15 G HA3 -0.243 3.724 3.960 0.011 0.000 0.254 15 G C 0.257 175.127 174.900 -0.050 0.000 0.988 15 G CA -0.084 44.989 45.100 -0.045 0.000 0.625 15 G HN 0.552 8.842 8.290 -0.000 0.000 0.527 16 E N 0.070 120.247 120.200 -0.040 0.000 2.385 16 E HA 0.564 4.921 4.350 0.011 0.000 0.254 16 E C -0.122 176.442 176.600 -0.061 0.000 1.228 16 E CA 0.097 56.473 56.400 -0.040 0.000 0.956 16 E CB 0.579 30.267 29.700 -0.020 0.000 1.116 16 E HN 0.134 8.494 8.360 -0.000 0.000 0.507 17 T N 0.541 115.059 114.554 -0.061 0.000 2.863 17 T HA 0.475 4.831 4.350 0.011 0.000 0.285 17 T C -0.818 173.844 174.700 -0.065 0.000 1.009 17 T CA -0.737 61.313 62.100 -0.083 0.000 0.989 17 T CB 1.311 70.127 68.868 -0.087 0.000 1.004 17 T HN 0.261 8.501 8.240 -0.000 0.000 0.455 18 V N 1.222 121.087 119.914 -0.082 0.000 2.823 18 V HA 0.756 4.883 4.120 0.011 0.000 0.312 18 V C -0.597 175.454 176.094 -0.072 0.000 1.072 18 V CA -1.173 61.091 62.300 -0.060 0.000 0.937 18 V CB 1.998 33.787 31.823 -0.058 0.000 1.013 18 V HN 0.782 8.972 8.190 -0.000 0.000 0.430 19 K N 2.801 123.183 120.400 -0.029 0.000 2.579 19 K HA 0.691 5.018 4.320 0.011 0.000 0.250 19 K C -1.508 175.129 176.600 0.062 0.000 0.952 19 K CA -0.411 55.878 56.287 0.004 0.000 0.857 19 K CB 1.398 33.909 32.500 0.019 0.000 1.123 19 K HN 0.776 9.026 8.250 -0.000 0.000 0.433 20 I N 3.007 123.599 120.570 0.037 0.000 2.437 20 I HA 0.298 4.475 4.170 0.011 0.000 0.298 20 I C 0.080 176.311 176.117 0.190 0.000 0.984 20 I CA -0.518 60.834 61.300 0.087 0.000 1.214 20 I CB 1.957 39.972 38.000 0.025 0.000 1.365 20 I HN 0.678 8.888 8.210 -0.000 0.000 0.469 21 S N 4.217 120.022 115.700 0.175 0.000 2.607 21 S HA 0.635 5.112 4.470 0.011 0.000 0.303 21 S C -0.865 173.786 174.600 0.086 0.000 1.086 21 S CA -0.736 57.480 58.200 0.025 0.000 0.995 21 S CB 2.013 65.151 63.200 -0.103 0.000 1.084 21 S HN 0.734 9.044 8.310 -0.000 0.000 0.507 22 c N 1.918 120.503 118.600 -0.025 0.000 2.660 22 c HA 0.607 5.184 4.570 0.011 0.000 0.336 22 c C -0.696 173.351 174.090 -0.071 0.000 1.058 22 c CA -0.531 55.788 56.329 -0.016 0.000 1.368 22 c CB -0.298 42.161 42.510 -0.085 0.000 1.884 22 c HN 1.050 9.280 8.230 -0.000 0.000 0.454 23 K N 3.533 123.898 120.400 -0.058 0.000 2.248 23 K HA 0.731 5.058 4.320 0.011 0.000 0.281 23 K C 0.060 176.634 176.600 -0.043 0.000 1.054 23 K CA 0.212 56.454 56.287 -0.075 0.000 0.903 23 K CB 1.150 33.608 32.500 -0.069 0.000 1.077 23 K HN 0.825 9.075 8.250 -0.000 0.000 0.474 24 A N 2.113 124.910 122.820 -0.039 0.000 2.322 24 A HA 0.539 4.866 4.320 0.011 0.000 0.327 24 A C -0.707 176.823 177.584 -0.089 0.000 1.134 24 A CA -0.816 51.216 52.037 -0.009 0.000 0.831 24 A CB 0.994 20.099 19.000 0.175 0.000 1.288 24 A HN 0.752 8.902 8.150 -0.000 0.000 0.472 25 S N 0.778 116.426 115.700 -0.086 0.000 2.548 25 S HA 0.508 4.985 4.470 0.011 0.000 0.277 25 S C 0.878 175.320 174.600 -0.263 0.000 1.315 25 S CA -0.158 57.953 58.200 -0.148 0.000 1.050 25 S CB 0.842 64.032 63.200 -0.017 0.000 0.918 25 S HN 1.406 9.716 8.310 -0.000 0.000 0.497 26 G N 1.712 110.130 108.800 -0.636 0.000 2.311 26 G HA2 0.138 4.105 3.960 0.011 0.000 0.274 26 G HA3 0.138 4.105 3.960 0.011 0.000 0.274 26 G C -0.093 174.441 174.900 -0.610 0.000 1.511 26 G CA -0.160 44.523 45.100 -0.694 0.000 1.041 26 G HN 1.277 9.567 8.290 -0.000 0.000 0.527 27 Y N -2.033 118.307 120.300 0.067 0.000 2.975 27 Y HA -0.146 4.411 4.550 0.012 0.000 0.218 27 Y C 1.084 177.038 175.900 0.090 0.000 1.125 27 Y CA 0.811 58.951 58.100 0.067 0.000 1.098 27 Y CB -2.132 36.352 38.460 0.039 0.000 1.204 27 Y HN 0.573 8.853 8.280 -0.000 0.000 0.568 28 T N -3.783 110.887 114.554 0.193 0.000 5.064 28 T HA -0.101 4.256 4.350 0.011 0.000 0.311 28 T C 0.739 175.596 174.700 0.262 0.000 0.969 28 T CA 0.122 62.344 62.100 0.205 0.000 0.490 28 T CB -1.301 67.731 68.868 0.274 0.000 0.752 28 T HN 0.310 8.550 8.240 -0.000 0.000 0.497 29 F N 3.010 122.995 119.950 0.058 0.000 2.069 29 F HA -0.046 4.488 4.527 0.011 0.000 0.298 29 F C 2.438 178.301 175.800 0.105 0.000 1.113 29 F CA 2.565 60.602 58.000 0.061 0.000 1.214 29 F CB -0.330 38.662 39.000 -0.013 0.000 0.978 29 F HN 0.322 8.622 8.300 -0.000 0.000 0.474 30 T N -2.767 111.888 114.554 0.167 0.000 3.215 30 T HA 0.008 4.365 4.350 0.011 0.000 0.254 30 T C 1.035 175.756 174.700 0.035 0.000 1.149 30 T CA 0.840 62.998 62.100 0.096 0.000 1.042 30 T CB -0.902 68.103 68.868 0.229 0.000 0.966 30 T HN 0.276 8.516 8.240 -0.000 0.000 0.534 31 N N -0.117 118.553 118.700 -0.050 0.000 2.280 31 N HA 0.247 4.994 4.740 0.011 0.000 0.192 31 N C -0.962 174.233 175.510 -0.524 0.000 1.109 31 N CA -0.029 52.856 53.050 -0.275 0.000 0.855 31 N CB 0.243 38.513 38.487 -0.361 0.000 0.974 31 N HN 0.471 8.851 8.380 -0.000 0.000 0.482 32 Y N -1.108 119.155 120.300 -0.062 0.000 2.581 32 Y HA 0.591 5.148 4.550 0.012 0.000 0.345 32 Y C 0.597 176.455 175.900 -0.070 0.000 1.036 32 Y CA -1.634 56.417 58.100 -0.082 0.000 1.042 32 Y CB 1.288 39.694 38.460 -0.090 0.000 1.289 32 Y HN -0.218 8.062 8.280 -0.000 0.000 0.471 33 G N 0.991 109.861 108.800 0.117 0.000 2.372 33 G HA2 0.448 4.415 3.960 0.011 0.000 0.283 33 G HA3 0.448 4.415 3.960 0.011 0.000 0.283 33 G C -1.009 173.977 174.900 0.142 0.000 1.177 33 G CA -0.578 44.641 45.100 0.198 0.000 0.842 33 G HN 0.463 8.753 8.290 -0.000 0.000 0.503 34 M N 3.081 122.772 119.600 0.151 0.000 2.111 34 M HA 0.248 4.735 4.480 0.011 0.000 0.351 34 M C 0.089 176.319 176.300 -0.116 0.000 1.214 34 M CA -0.748 54.488 55.300 -0.106 0.000 1.120 34 M CB -0.525 31.945 32.600 -0.217 0.000 1.443 34 M HN 0.521 8.811 8.290 -0.000 0.000 0.429 35 N N 2.917 121.516 118.700 -0.168 0.000 2.447 35 N HA 0.473 5.220 4.740 0.011 0.000 0.271 35 N C -1.500 173.709 175.510 -0.501 0.000 1.226 35 N CA -0.260 52.721 53.050 -0.116 0.000 0.980 35 N CB 1.078 39.670 38.487 0.176 0.000 1.206 35 N HN 0.572 8.952 8.380 -0.000 0.000 0.558 36 W N 0.371 121.439 121.300 -0.387 0.000 3.097 36 W HA 0.436 5.103 4.660 0.013 0.000 0.335 36 W C -0.768 175.571 176.519 -0.299 0.000 1.114 36 W CA -0.726 56.414 57.345 -0.341 0.000 1.231 36 W CB 1.336 30.544 29.460 -0.419 0.000 1.388 36 W HN 0.126 8.306 8.180 -0.000 0.000 0.485 37 V N 2.314 122.294 119.914 0.111 0.000 2.789 37 V HA 0.675 4.801 4.120 0.011 0.000 0.311 37 V C -0.931 175.306 176.094 0.237 0.000 1.073 37 V CA -1.164 61.193 62.300 0.096 0.000 0.921 37 V CB 1.749 33.582 31.823 0.017 0.000 1.009 37 V HN 0.525 8.715 8.190 -0.000 0.000 0.426 38 K N 4.084 124.549 120.400 0.107 0.000 2.123 38 K HA 0.613 4.940 4.320 0.011 0.000 0.259 38 K C -0.917 175.711 176.600 0.046 0.000 0.960 38 K CA -0.651 55.599 56.287 -0.060 0.000 0.872 38 K CB 1.855 34.327 32.500 -0.046 0.000 1.079 38 K HN 0.935 9.185 8.250 -0.000 0.000 0.440 39 Q N 2.614 122.379 119.800 -0.060 0.000 2.337 39 Q HA 0.384 4.731 4.340 0.011 0.000 0.260 39 Q C -1.619 174.364 176.000 -0.028 0.000 0.982 39 Q CA -0.576 55.267 55.803 0.068 0.000 0.734 39 Q CB 1.797 30.688 28.738 0.256 0.000 1.272 39 Q HN 0.776 9.046 8.270 -0.000 0.000 0.461 40 A N 4.675 127.503 122.820 0.013 0.000 2.371 40 A HA 0.530 4.857 4.320 0.011 0.000 0.257 40 A C -2.275 175.332 177.584 0.039 0.000 1.089 40 A CA -1.282 50.765 52.037 0.018 0.000 0.794 40 A CB -0.072 18.960 19.000 0.053 0.000 1.029 40 A HN 0.589 8.739 8.150 -0.000 0.000 0.488 41 P HA 0.025 4.445 4.420 -0.000 0.000 0.252 41 P C 1.018 178.354 177.300 0.059 0.000 1.147 41 P CA 2.359 65.492 63.100 0.055 0.000 0.779 41 P CB -0.045 31.698 31.700 0.072 0.000 0.733 42 G N 1.742 110.577 108.800 0.058 0.000 2.187 42 G HA2 -0.262 3.705 3.960 0.011 0.000 0.261 42 G HA3 -0.262 3.705 3.960 0.011 0.000 0.261 42 G C 0.316 175.250 174.900 0.055 0.000 1.000 42 G CA 0.197 45.330 45.100 0.055 0.000 0.718 42 G HN 0.436 8.726 8.290 -0.000 0.000 0.519 43 K N -0.073 120.364 120.400 0.061 0.000 2.288 43 K HA 0.731 5.058 4.320 0.011 0.000 0.234 43 K C 1.372 178.016 176.600 0.073 0.000 1.037 43 K CA -0.087 56.239 56.287 0.065 0.000 0.914 43 K CB 0.196 32.738 32.500 0.070 0.000 1.197 43 K HN 0.270 8.520 8.250 -0.000 0.000 0.471 44 G N 0.000 108.848 108.800 0.080 0.000 2.447 44 G HA2 0.329 4.296 3.960 0.011 0.000 0.269 44 G HA3 0.329 4.296 3.960 0.011 0.000 0.269 44 G C -0.587 174.381 174.900 0.114 0.000 1.455 44 G CA -0.459 44.693 45.100 0.087 0.000 1.061 44 G HN 0.288 8.578 8.290 -0.000 0.000 0.545 45 L N -0.293 121.007 121.223 0.129 0.000 2.313 45 L HA 0.462 4.809 4.340 0.011 0.000 0.283 45 L C -0.542 176.444 176.870 0.194 0.000 1.013 45 L CA -0.766 54.177 54.840 0.171 0.000 0.816 45 L CB 2.097 44.258 42.059 0.170 0.000 1.236 45 L HN 0.192 8.422 8.230 -0.000 0.000 0.419 46 K N 2.680 123.206 120.400 0.210 0.000 2.394 46 K HA 0.243 4.570 4.320 0.011 0.000 0.260 46 K C -1.147 175.587 176.600 0.224 0.000 0.967 46 K CA -0.386 56.053 56.287 0.253 0.000 0.855 46 K CB 1.044 33.730 32.500 0.311 0.000 1.101 46 K HN 0.341 8.591 8.250 -0.000 0.000 0.433 47 W N 5.670 127.011 121.300 0.069 0.000 2.303 47 W HA 0.074 4.740 4.660 0.010 0.000 0.318 47 W C 0.312 176.805 176.519 -0.043 0.000 1.362 47 W CA 0.121 57.465 57.345 -0.000 0.000 1.234 47 W CB 0.467 29.976 29.460 0.082 0.000 1.248 47 W HN 0.699 8.879 8.180 -0.000 0.000 0.546 48 M N 4.901 124.089 119.600 -0.686 0.000 2.534 48 M HA 0.308 4.794 4.480 0.011 0.000 0.263 48 M C 1.101 176.911 176.300 -0.817 0.000 1.152 48 M CA 1.158 55.876 55.300 -0.970 0.000 1.145 48 M CB 0.045 32.081 32.600 -0.940 0.000 1.333 48 M HN 0.639 8.929 8.290 -0.000 0.000 0.477 49 G N -0.118 107.823 108.800 -1.432 0.000 2.340 49 G HA2 0.151 4.118 3.960 0.011 0.000 0.282 49 G HA3 0.151 4.118 3.960 0.011 0.000 0.282 49 G C -2.523 172.178 174.900 -0.332 0.000 1.312 49 G CA -0.577 43.850 45.100 -1.122 0.000 0.942 49 G HN 0.366 8.656 8.290 -0.000 0.000 0.495 50 W N -0.904 120.283 121.300 -0.188 0.000 3.025 50 W HA 0.807 5.473 4.660 0.009 0.000 0.343 50 W C -2.055 174.431 176.519 -0.055 0.000 1.246 50 W CA -1.639 55.605 57.345 -0.168 0.000 1.178 50 W CB 0.936 30.464 29.460 0.114 0.000 1.463 50 W HN 0.981 9.161 8.180 -0.000 0.000 0.578 51 I N 2.390 122.819 120.570 -0.235 0.000 2.533 51 I HA 0.317 4.494 4.170 0.011 0.000 0.290 51 I C -0.701 175.222 176.117 -0.323 0.000 1.056 51 I CA -0.796 60.266 61.300 -0.396 0.000 1.057 51 I CB 1.926 39.879 38.000 -0.078 0.000 1.240 51 I HN 0.565 8.775 8.210 -0.000 0.000 0.423 52 N N 3.658 122.043 118.700 -0.524 0.000 2.452 52 N HA 0.047 4.794 4.740 0.011 0.000 0.266 52 N C 1.018 176.529 175.510 0.002 0.000 1.175 52 N CA 0.253 53.215 53.050 -0.148 0.000 0.945 52 N CB 0.850 39.253 38.487 -0.141 0.000 1.063 52 N HN 0.668 9.048 8.380 -0.000 0.000 0.472 53 T N 0.688 115.271 114.554 0.048 0.000 3.113 53 T HA -0.088 4.269 4.350 0.011 0.000 0.256 53 T C 1.198 175.961 174.700 0.104 0.000 1.131 53 T CA 0.558 62.637 62.100 -0.034 0.000 1.074 53 T CB -0.283 68.382 68.868 -0.339 0.000 0.944 53 T HN 0.621 8.861 8.240 -0.000 0.000 0.516 54 Y N 2.005 122.316 120.300 0.018 0.000 2.509 54 Y HA 0.154 4.711 4.550 0.011 0.000 0.270 54 Y C 2.393 178.314 175.900 0.036 0.000 1.103 54 Y CA 1.069 59.192 58.100 0.038 0.000 1.278 54 Y CB 0.684 39.169 38.460 0.041 0.000 1.087 54 Y HN 0.394 8.674 8.280 -0.000 0.000 0.542 55 T N -5.570 109.079 114.554 0.157 0.000 2.966 55 T HA 0.331 4.688 4.350 0.011 0.000 0.254 55 T C 1.515 176.235 174.700 0.034 0.000 0.961 55 T CA 0.482 62.631 62.100 0.082 0.000 0.915 55 T CB 0.262 69.197 68.868 0.112 0.000 1.186 55 T HN 0.371 8.611 8.240 -0.000 0.000 0.505 56 G N 1.552 110.366 108.800 0.023 0.000 2.143 56 G HA2 -0.177 3.790 3.960 0.011 0.000 0.249 56 G HA3 -0.177 3.790 3.960 0.011 0.000 0.249 56 G C -0.318 174.569 174.900 -0.022 0.000 0.981 56 G CA -0.063 45.046 45.100 0.016 0.000 0.665 56 G HN 0.568 8.858 8.290 -0.000 0.000 0.528 57 E N 1.295 121.447 120.200 -0.079 0.000 2.167 57 E HA 0.443 4.800 4.350 0.011 0.000 0.284 57 E C -2.181 174.260 176.600 -0.264 0.000 1.016 57 E CA -1.907 54.422 56.400 -0.117 0.000 0.817 57 E CB 1.775 31.420 29.700 -0.091 0.000 1.080 57 E HN 0.295 8.655 8.360 -0.000 0.000 0.397 58 P HA 0.293 4.713 4.420 -0.000 0.000 0.284 58 P C -0.688 176.383 177.300 -0.383 0.000 1.258 58 P CA -0.594 62.315 63.100 -0.319 0.000 0.824 58 P CB 1.133 32.699 31.700 -0.223 0.000 1.038 59 T N 2.261 116.512 114.554 -0.505 0.000 2.890 59 T HA 0.433 4.790 4.350 0.011 0.000 0.295 59 T C -0.968 173.574 174.700 -0.262 0.000 0.993 59 T CA -0.108 61.864 62.100 -0.214 0.000 0.979 59 T CB 0.073 68.948 68.868 0.012 0.000 0.967 59 T HN 0.132 8.372 8.240 -0.000 0.000 0.441 60 Y N 1.485 121.803 120.300 0.031 0.000 2.361 60 Y HA 0.641 5.198 4.550 0.011 0.000 0.332 60 Y C 0.720 176.641 175.900 0.036 0.000 1.101 60 Y CA -1.071 57.001 58.100 -0.046 0.000 1.137 60 Y CB 1.047 39.424 38.460 -0.138 0.000 1.207 60 Y HN 0.753 9.033 8.280 -0.000 0.000 0.463 61 A N 1.809 124.693 122.820 0.106 0.000 2.386 61 A HA 0.113 4.440 4.320 0.011 0.000 0.248 61 A C 0.927 178.681 177.584 0.283 0.000 1.082 61 A CA -0.431 51.749 52.037 0.240 0.000 0.789 61 A CB 0.182 19.324 19.000 0.237 0.000 1.025 61 A HN 0.899 9.049 8.150 -0.000 0.000 0.490 62 D N 0.992 121.545 120.400 0.255 0.000 2.149 62 D HA -0.181 4.466 4.640 0.011 0.000 0.194 62 D C 0.974 177.332 176.300 0.096 0.000 1.001 62 D CA 2.306 56.405 54.000 0.165 0.000 0.849 62 D CB -0.240 40.646 40.800 0.144 0.000 0.939 62 D HN 0.765 9.135 8.370 -0.000 0.000 0.449 63 D N -1.768 118.680 120.400 0.080 0.000 2.378 63 D HA -0.049 4.598 4.640 0.011 0.000 0.227 63 D C 0.233 176.183 176.300 -0.583 0.000 1.012 63 D CA 0.358 54.224 54.000 -0.223 0.000 0.905 63 D CB 0.056 40.666 40.800 -0.316 0.000 0.895 63 D HN 0.204 8.574 8.370 -0.000 0.000 0.532 64 F N -0.010 119.894 119.950 -0.078 0.000 2.790 64 F HA 0.318 4.864 4.527 0.032 0.000 0.371 64 F C 0.078 175.871 175.800 -0.012 0.000 1.293 64 F CA -0.647 57.222 58.000 -0.219 0.000 1.205 64 F CB 0.490 39.146 39.000 -0.573 0.000 1.047 64 F HN -0.419 7.881 8.300 -0.000 0.000 0.510 65 K N 0.740 121.204 120.400 0.107 0.000 2.292 65 K HA 0.623 4.950 4.320 0.011 0.000 0.270 65 K C 0.689 177.271 176.600 -0.031 0.000 1.062 65 K CA 0.067 56.342 56.287 -0.021 0.000 0.916 65 K CB 1.043 33.550 32.500 0.013 0.000 1.166 65 K HN 0.433 8.683 8.250 -0.000 0.000 0.458 66 G N 2.862 111.597 108.800 -0.109 0.000 4.241 66 G HA2 -0.167 3.800 3.960 0.011 0.000 0.193 66 G HA3 -0.167 3.800 3.960 0.011 0.000 0.193 66 G C 0.461 175.243 174.900 -0.197 0.000 1.789 66 G CA -0.608 44.421 45.100 -0.118 0.000 1.025 66 G HN 0.505 8.795 8.290 -0.000 0.000 0.346 67 R N 0.063 120.406 120.500 -0.261 0.000 2.468 67 R HA 0.455 4.801 4.340 0.011 0.000 0.280 67 R C -0.651 175.145 176.300 -0.840 0.000 0.963 67 R CA -0.038 55.737 56.100 -0.542 0.000 1.083 67 R CB 0.276 30.201 30.300 -0.625 0.000 1.200 67 R HN 0.261 8.531 8.270 -0.000 0.000 0.541 68 F N 0.678 120.469 119.950 -0.265 0.000 2.495 68 F HA 0.605 5.131 4.527 -0.002 0.000 0.327 68 F C 0.074 175.598 175.800 -0.459 0.000 1.103 68 F CA -1.283 56.541 58.000 -0.294 0.000 0.949 68 F CB 1.856 40.745 39.000 -0.185 0.000 1.142 68 F HN -0.163 8.137 8.300 -0.000 0.000 0.457 69 A N 3.320 126.063 122.820 -0.128 0.000 2.357 69 A HA 0.756 5.083 4.320 0.011 0.000 0.295 69 A C -1.644 176.027 177.584 0.145 0.000 1.121 69 A CA -0.480 51.526 52.037 -0.053 0.000 0.742 69 A CB 0.318 19.275 19.000 -0.073 0.000 1.181 69 A HN 0.465 8.615 8.150 -0.000 0.000 0.454 70 F N 1.981 122.079 119.950 0.247 0.000 2.411 70 F HA 0.669 5.202 4.527 0.010 0.000 0.350 70 F C 1.027 176.902 175.800 0.124 0.000 1.114 70 F CA -0.661 57.395 58.000 0.094 0.000 1.135 70 F CB 1.700 40.683 39.000 -0.027 0.000 1.120 70 F HN 0.599 8.899 8.300 -0.000 0.000 0.495 71 S N 4.584 120.509 115.700 0.376 0.000 2.661 71 S HA 0.936 5.412 4.470 0.011 0.000 0.285 71 S C -1.426 173.411 174.600 0.395 0.000 1.138 71 S CA -0.721 57.659 58.200 0.300 0.000 0.855 71 S CB 1.736 65.056 63.200 0.200 0.000 1.136 71 S HN 0.508 8.818 8.310 -0.000 0.000 0.484 72 L N 1.036 122.464 121.223 0.340 0.000 2.424 72 L HA 0.654 5.001 4.340 0.011 0.000 0.258 72 L C -0.928 176.153 176.870 0.351 0.000 0.995 72 L CA -0.653 54.421 54.840 0.390 0.000 0.821 72 L CB 2.280 44.531 42.059 0.320 0.000 1.383 72 L HN 0.683 8.913 8.230 -0.000 0.000 0.410 73 E N 0.899 121.316 120.200 0.363 0.000 3.303 73 E HA 0.154 4.511 4.350 0.011 0.000 0.215 73 E C 0.637 177.291 176.600 0.090 0.000 1.181 73 E CA -0.123 56.419 56.400 0.237 0.000 0.998 73 E CB 0.944 30.844 29.700 0.334 0.000 1.312 73 E HN 0.741 9.101 8.360 -0.000 0.000 0.412 74 T N -1.386 113.245 114.554 0.130 0.000 2.802 74 T HA -0.247 4.110 4.350 0.011 0.000 0.269 74 T C 1.780 176.418 174.700 -0.104 0.000 1.062 74 T CA 1.769 63.910 62.100 0.068 0.000 1.133 74 T CB 0.032 68.995 68.868 0.157 0.000 0.852 74 T HN 0.225 8.465 8.240 -0.000 0.000 0.485 75 S N 2.197 117.863 115.700 -0.057 0.000 2.345 75 S HA 0.127 4.604 4.470 0.011 0.000 0.220 75 S C 2.195 176.715 174.600 -0.133 0.000 1.031 75 S CA 0.797 58.953 58.200 -0.073 0.000 0.996 75 S CB -0.728 62.456 63.200 -0.027 0.000 0.882 75 S HN 0.683 8.993 8.310 -0.000 0.000 0.445 76 A N -0.095 122.652 122.820 -0.121 0.000 2.302 76 A HA 0.531 4.857 4.320 0.011 0.000 0.219 76 A C 1.200 178.604 177.584 -0.300 0.000 1.243 76 A CA 0.869 52.819 52.037 -0.145 0.000 0.856 76 A CB -0.948 18.024 19.000 -0.047 0.000 0.893 76 A HN 0.934 9.084 8.150 -0.000 0.000 0.491 77 S N -0.810 114.561 115.700 -0.548 0.000 3.533 77 S HA -0.147 4.330 4.470 0.011 0.000 0.347 77 S C 0.303 174.420 174.600 -0.805 0.000 1.101 77 S CA 1.111 58.610 58.200 -1.168 0.000 1.009 77 S CB -1.498 61.224 63.200 -0.796 0.000 0.916 77 S HN 0.755 9.065 8.310 -0.000 0.000 0.496 78 T N 1.714 116.045 114.554 -0.371 0.000 2.823 78 T HA 0.726 5.082 4.350 0.011 0.000 0.279 78 T C -0.069 174.618 174.700 -0.022 0.000 0.998 78 T CA 0.170 62.163 62.100 -0.178 0.000 0.994 78 T CB 1.774 70.490 68.868 -0.254 0.000 0.960 78 T HN 0.549 8.789 8.240 -0.000 0.000 0.448 79 A N 2.886 125.686 122.820 -0.033 0.000 2.337 79 A HA 0.837 5.164 4.320 0.011 0.000 0.329 79 A C -1.536 176.071 177.584 0.039 0.000 1.146 79 A CA -0.648 51.479 52.037 0.150 0.000 0.800 79 A CB 0.644 19.761 19.000 0.195 0.000 1.220 79 A HN 0.797 8.947 8.150 -0.000 0.000 0.472 80 Y N 0.300 120.839 120.300 0.399 0.000 2.536 80 Y HA 0.651 5.207 4.550 0.010 0.000 0.347 80 Y C -0.289 175.652 175.900 0.069 0.000 1.000 80 Y CA -0.909 57.352 58.100 0.267 0.000 1.051 80 Y CB 2.094 40.634 38.460 0.133 0.000 1.259 80 Y HN 0.619 8.899 8.280 -0.000 0.000 0.468 81 L N 2.829 123.987 121.223 -0.109 0.000 2.381 81 L HA 0.535 4.882 4.340 0.011 0.000 0.274 81 L C -1.362 175.383 176.870 -0.209 0.000 0.988 81 L CA -0.534 54.024 54.840 -0.469 0.000 0.824 81 L CB 1.983 43.245 42.059 -1.329 0.000 1.263 81 L HN 0.767 8.997 8.230 -0.000 0.000 0.410 82 Q N 4.874 124.599 119.800 -0.124 0.000 2.340 82 Q HA 0.610 4.957 4.340 0.011 0.000 0.268 82 Q C -1.643 174.245 176.000 -0.187 0.000 1.031 82 Q CA -0.652 55.074 55.803 -0.128 0.000 0.804 82 Q CB 2.495 31.178 28.738 -0.091 0.000 1.286 82 Q HN 0.658 8.928 8.270 -0.000 0.000 0.448 83 I N 3.389 123.818 120.570 -0.235 0.000 2.447 83 I HA 0.357 4.534 4.170 0.011 0.000 0.287 83 I C -0.930 175.004 176.117 -0.305 0.000 1.023 83 I CA -0.937 60.135 61.300 -0.380 0.000 1.083 83 I CB 1.749 39.552 38.000 -0.329 0.000 1.245 83 I HN 0.620 8.830 8.210 -0.000 0.000 0.434 84 N N 3.538 122.031 118.700 -0.346 0.000 2.459 84 N HA 0.404 5.151 4.740 0.011 0.000 0.288 84 N C 0.047 175.420 175.510 -0.227 0.000 1.186 84 N CA -0.913 51.998 53.050 -0.233 0.000 0.917 84 N CB 0.369 38.738 38.487 -0.198 0.000 1.219 84 N HN 0.569 8.949 8.380 -0.000 0.000 0.525 85 N N -0.586 118.023 118.700 -0.152 0.000 2.714 85 N HA -0.161 4.586 4.740 0.011 0.000 0.253 85 N C -1.156 174.284 175.510 -0.116 0.000 1.024 85 N CA 0.069 53.046 53.050 -0.121 0.000 0.726 85 N CB -0.788 37.624 38.487 -0.125 0.000 0.908 85 N HN 0.580 8.960 8.380 -0.000 0.000 0.542 86 L N 0.237 121.401 121.223 -0.098 0.000 2.573 86 L HA 0.041 4.388 4.340 0.011 0.000 0.290 86 L C 1.033 177.890 176.870 -0.021 0.000 1.247 86 L CA 1.319 56.124 54.840 -0.059 0.000 0.876 86 L CB 0.029 42.071 42.059 -0.029 0.000 1.123 86 L HN 0.284 8.514 8.230 -0.000 0.000 0.505 87 K N 2.490 122.898 120.400 0.014 0.000 2.350 87 K HA 0.348 4.675 4.320 0.011 0.000 0.241 87 K C 0.857 177.493 176.600 0.060 0.000 0.994 87 K CA -0.920 55.385 56.287 0.028 0.000 0.839 87 K CB 1.208 33.726 32.500 0.030 0.000 1.244 87 K HN 0.323 8.573 8.250 -0.000 0.000 0.443 88 N N 1.420 120.148 118.700 0.048 0.000 2.149 88 N HA -0.174 4.572 4.740 0.011 0.000 0.188 88 N C 0.713 176.275 175.510 0.087 0.000 1.019 88 N CA 1.489 54.575 53.050 0.060 0.000 0.857 88 N CB 0.036 38.543 38.487 0.034 0.000 0.997 88 N HN 0.524 8.904 8.380 -0.000 0.000 0.426 89 E N 0.438 120.688 120.200 0.084 0.000 2.472 89 E HA -0.069 4.288 4.350 0.011 0.000 0.200 89 E C 0.659 177.355 176.600 0.160 0.000 1.046 89 E CA 0.494 56.955 56.400 0.101 0.000 0.871 89 E CB -0.004 29.743 29.700 0.079 0.000 0.806 89 E HN 0.310 8.670 8.360 -0.000 0.000 0.533 90 D N -0.058 120.458 120.400 0.194 0.000 2.347 90 D HA -0.029 4.618 4.640 0.011 0.000 0.213 90 D C 0.036 176.527 176.300 0.319 0.000 0.985 90 D CA 0.462 54.652 54.000 0.316 0.000 0.879 90 D CB -0.070 40.899 40.800 0.282 0.000 0.919 90 D HN 0.009 8.379 8.370 -0.000 0.000 0.526 91 T N 1.606 116.284 114.554 0.207 0.000 2.778 91 T HA 0.365 4.722 4.350 0.011 0.000 0.282 91 T C 0.267 175.037 174.700 0.117 0.000 0.983 91 T CA 0.291 62.496 62.100 0.175 0.000 1.193 91 T CB 0.362 69.318 68.868 0.146 0.000 0.938 91 T HN 0.186 8.426 8.240 -0.000 0.000 0.523 92 A N 3.600 126.459 122.820 0.065 0.000 2.410 92 A HA 0.660 4.987 4.320 0.011 0.000 0.300 92 A C -0.621 176.825 177.584 -0.230 0.000 1.077 92 A CA -0.955 50.996 52.037 -0.142 0.000 0.610 92 A CB 0.862 19.647 19.000 -0.358 0.000 1.371 92 A HN 0.511 8.661 8.150 -0.000 0.000 0.510 93 T N 1.084 115.409 114.554 -0.381 0.000 2.770 93 T HA 0.614 4.971 4.350 0.011 0.000 0.283 93 T C -1.570 172.749 174.700 -0.635 0.000 0.988 93 T CA 0.279 62.146 62.100 -0.389 0.000 0.957 93 T CB 0.191 68.822 68.868 -0.394 0.000 0.930 93 T HN 0.345 8.585 8.240 -0.000 0.000 0.443 94 Y N 2.518 122.682 120.300 -0.227 0.000 2.328 94 Y HA 0.544 5.097 4.550 0.005 0.000 0.337 94 Y C -0.224 175.615 175.900 -0.102 0.000 1.008 94 Y CA -1.128 56.922 58.100 -0.083 0.000 1.129 94 Y CB 0.704 39.212 38.460 0.080 0.000 1.185 94 Y HN 0.537 8.817 8.280 -0.000 0.000 0.476 95 F N 2.354 122.497 119.950 0.321 0.000 2.421 95 F HA 0.443 4.976 4.527 0.010 0.000 0.337 95 F C 0.198 176.009 175.800 0.017 0.000 1.105 95 F CA -1.184 56.929 58.000 0.188 0.000 1.049 95 F CB 1.000 40.117 39.000 0.195 0.000 1.139 95 F HN 0.464 8.764 8.300 -0.000 0.000 0.479 96 c N 4.844 123.391 118.600 -0.089 0.000 2.273 96 c HA 0.895 5.472 4.570 0.011 0.000 0.328 96 c C -0.751 173.041 174.090 -0.496 0.000 1.275 96 c CA -0.547 55.279 56.329 -0.838 0.000 1.704 96 c CB -0.528 41.393 42.510 -0.982 0.000 2.326 96 c HN 0.599 8.829 8.230 -0.000 0.000 0.517 97 V N 6.685 126.214 119.914 -0.641 0.000 2.531 97 V HA 0.436 4.563 4.120 0.011 0.000 0.301 97 V C -0.227 175.610 176.094 -0.428 0.000 1.034 97 V CA -0.304 61.610 62.300 -0.644 0.000 0.865 97 V CB 1.436 32.552 31.823 -1.178 0.000 0.995 97 V HN 0.921 9.111 8.190 -0.000 0.000 0.424 98 Q N 2.306 121.918 119.800 -0.313 0.000 2.267 98 Q HA 0.729 5.076 4.340 0.011 0.000 0.255 98 Q C -0.201 175.694 176.000 -0.175 0.000 0.923 98 Q CA -0.207 55.432 55.803 -0.273 0.000 0.925 98 Q CB 1.823 30.266 28.738 -0.491 0.000 1.195 98 Q HN 0.985 9.255 8.270 -0.000 0.000 0.417 99 A N 2.895 125.713 122.820 -0.003 0.000 2.374 99 A HA 0.454 4.781 4.320 0.011 0.000 0.317 99 A C -1.082 176.611 177.584 0.182 0.000 1.094 99 A CA -0.641 51.421 52.037 0.041 0.000 0.765 99 A CB 1.582 20.546 19.000 -0.060 0.000 1.268 99 A HN 0.666 8.816 8.150 -0.000 0.000 0.438 100 E N 1.316 121.585 120.200 0.115 0.000 2.191 100 E HA 0.273 4.630 4.350 0.011 0.000 0.278 100 E C 0.624 177.152 176.600 -0.119 0.000 0.972 100 E CA -0.531 55.893 56.400 0.040 0.000 0.804 100 E CB 1.435 31.186 29.700 0.086 0.000 1.110 100 E HN 0.728 9.088 8.360 -0.000 0.000 0.394 101 R N 3.175 123.582 120.500 -0.154 0.000 2.073 101 R HA -0.145 4.202 4.340 0.011 0.000 0.234 101 R C 1.938 178.146 176.300 -0.154 0.000 1.134 101 R CA 1.181 57.173 56.100 -0.179 0.000 0.952 101 R CB -0.031 30.171 30.300 -0.164 0.000 0.850 101 R HN 0.443 8.713 8.270 -0.000 0.000 0.433 102 L N 0.779 121.927 121.223 -0.125 0.000 1.994 102 L HA -0.101 4.246 4.340 0.011 0.000 0.208 102 L C 2.308 179.115 176.870 -0.105 0.000 1.071 102 L CA 1.816 56.594 54.840 -0.104 0.000 0.745 102 L CB -0.722 41.286 42.059 -0.084 0.000 0.892 102 L HN 0.166 8.396 8.230 -0.000 0.000 0.431 103 R N -0.993 119.447 120.500 -0.100 0.000 2.153 103 R HA 0.014 4.361 4.340 0.011 0.000 0.218 103 R C 0.352 176.560 176.300 -0.153 0.000 1.072 103 R CA 0.129 56.169 56.100 -0.101 0.000 0.990 103 R CB 0.046 30.304 30.300 -0.069 0.000 0.889 103 R HN 0.193 8.463 8.270 -0.000 0.000 0.452 104 R N 0.886 121.270 120.500 -0.194 0.000 3.332 104 R HA -0.132 4.214 4.340 0.011 0.000 0.263 104 R C -0.759 175.309 176.300 -0.388 0.000 1.053 104 R CA 0.970 56.893 56.100 -0.294 0.000 0.705 104 R CB -1.780 28.357 30.300 -0.272 0.000 1.166 104 R HN 0.393 8.663 8.270 -0.000 0.000 0.427 105 T N -3.422 110.934 114.554 -0.331 0.000 2.930 105 T HA 0.667 5.024 4.350 0.011 0.000 0.290 105 T C -0.168 174.328 174.700 -0.340 0.000 1.052 105 T CA -0.868 61.023 62.100 -0.348 0.000 1.017 105 T CB 1.209 70.004 68.868 -0.121 0.000 1.137 105 T HN 0.070 8.310 8.240 -0.000 0.000 0.511 106 F N 2.168 122.107 119.950 -0.017 0.000 2.384 106 F HA 0.323 4.858 4.527 0.013 0.000 0.359 106 F C 1.274 177.130 175.800 0.093 0.000 1.143 106 F CA -1.439 56.510 58.000 -0.086 0.000 1.216 106 F CB -0.165 38.772 39.000 -0.105 0.000 1.512 106 F HN 0.624 8.924 8.300 -0.000 0.000 0.573 107 D N 0.900 121.385 120.400 0.141 0.000 2.077 107 D HA -0.210 4.437 4.640 0.011 0.000 0.196 107 D C 0.086 176.518 176.300 0.221 0.000 0.986 107 D CA 1.663 55.750 54.000 0.145 0.000 0.829 107 D CB -0.042 40.798 40.800 0.066 0.000 0.983 107 D HN 0.330 8.700 8.370 -0.000 0.000 0.453 108 Y N -0.473 119.802 120.300 -0.042 0.000 2.364 108 Y HA 0.302 4.859 4.550 0.012 0.000 0.340 108 Y C -1.233 174.686 175.900 0.032 0.000 0.975 108 Y CA -1.023 57.090 58.100 0.022 0.000 1.089 108 Y CB 1.033 39.413 38.460 -0.133 0.000 1.192 108 Y HN -0.203 8.077 8.280 -0.000 0.000 0.454 109 W N 4.016 125.054 121.300 -0.435 0.000 2.606 109 W HA 0.653 5.318 4.660 0.008 0.000 0.332 109 W C 0.343 176.720 176.519 -0.237 0.000 1.052 109 W CA -0.972 56.204 57.345 -0.281 0.000 1.223 109 W CB 1.413 30.665 29.460 -0.347 0.000 1.383 109 W HN 0.795 8.975 8.180 -0.000 0.000 0.524 110 G N 0.618 109.537 108.800 0.198 0.000 2.653 110 G HA2 0.395 4.362 3.960 0.011 0.000 0.265 110 G HA3 0.395 4.362 3.960 0.011 0.000 0.265 110 G C 0.809 175.873 174.900 0.273 0.000 1.237 110 G CA -0.022 45.206 45.100 0.213 0.000 0.946 110 G HN 0.693 8.983 8.290 -0.000 0.000 0.522 111 A N -1.215 121.732 122.820 0.212 0.000 2.014 111 A HA 0.484 4.811 4.320 0.011 0.000 0.218 111 A C 1.535 179.265 177.584 0.244 0.000 1.163 111 A CA 1.690 53.846 52.037 0.198 0.000 0.652 111 A CB -0.840 18.233 19.000 0.122 0.000 0.808 111 A HN 2.589 10.739 8.150 -0.000 0.000 0.449 112 G N -2.226 106.678 108.800 0.173 0.000 3.067 112 G HA2 0.114 4.081 3.960 0.011 0.000 0.686 112 G HA3 0.114 4.081 3.960 0.011 0.000 0.686 112 G C -0.491 174.366 174.900 -0.070 0.000 1.119 112 G CA -0.325 44.683 45.100 -0.154 0.000 0.790 112 G HN 0.563 8.853 8.290 -0.000 0.000 0.605 113 T N 2.330 116.867 114.554 -0.027 0.000 2.779 113 T HA 0.641 4.998 4.350 0.011 0.000 0.280 113 T C 0.472 175.209 174.700 0.062 0.000 0.987 113 T CA -0.086 62.050 62.100 0.060 0.000 0.966 113 T CB 1.584 70.537 68.868 0.143 0.000 0.933 113 T HN 0.683 8.924 8.240 -0.000 0.000 0.442 114 T N 3.437 118.017 114.554 0.043 0.000 2.780 114 T HA 0.471 4.828 4.350 0.011 0.000 0.294 114 T C -0.280 174.488 174.700 0.113 0.000 0.949 114 T CA -0.268 61.862 62.100 0.050 0.000 1.074 114 T CB 0.379 69.257 68.868 0.016 0.000 0.910 114 T HN 0.296 8.536 8.240 -0.000 0.000 0.501 115 V N 4.705 124.723 119.914 0.175 0.000 2.444 115 V HA 0.443 4.570 4.120 0.011 0.000 0.294 115 V C 0.122 176.323 176.094 0.177 0.000 1.022 115 V CA -0.732 61.685 62.300 0.195 0.000 0.850 115 V CB 2.078 34.074 31.823 0.288 0.000 0.992 115 V HN 0.912 9.102 8.190 -0.000 0.000 0.426 116 T N 4.568 119.215 114.554 0.155 0.000 2.809 116 T HA 0.478 4.835 4.350 0.011 0.000 0.296 116 T C -0.333 174.479 174.700 0.188 0.000 1.015 116 T CA -0.339 61.869 62.100 0.179 0.000 0.954 116 T CB 1.316 70.297 68.868 0.188 0.000 0.950 116 T HN 0.334 8.574 8.240 -0.000 0.000 0.450 117 V N 3.326 123.342 119.914 0.170 0.000 2.350 117 V HA 0.775 4.902 4.120 0.011 0.000 0.276 117 V C 0.220 176.384 176.094 0.117 0.000 1.028 117 V CA -0.416 61.962 62.300 0.131 0.000 0.860 117 V CB 1.135 33.017 31.823 0.099 0.000 0.990 117 V HN 0.896 9.086 8.190 -0.000 0.000 0.453 118 S N 2.578 118.334 115.700 0.095 0.000 2.547 118 S HA 0.396 4.872 4.470 0.011 0.000 0.270 118 S C 0.666 175.214 174.600 -0.088 0.000 1.150 118 S CA 0.133 58.328 58.200 -0.008 0.000 0.850 118 S CB 2.156 65.352 63.200 -0.007 0.000 1.118 118 S HN 0.947 9.257 8.310 -0.000 0.000 0.461 119 S N 2.051 117.654 115.700 -0.161 0.000 2.524 119 S HA 0.444 4.921 4.470 0.011 0.000 0.216 119 S C 0.904 175.358 174.600 -0.243 0.000 0.987 119 S CA 0.305 58.415 58.200 -0.149 0.000 0.909 119 S CB -0.234 62.899 63.200 -0.111 0.000 0.781 119 S HN 1.180 9.490 8.310 -0.000 0.000 0.521 120 A N 1.655 124.188 122.820 -0.479 0.000 2.483 120 A HA 0.566 4.892 4.320 0.011 0.000 0.238 120 A C 0.440 177.757 177.584 -0.446 0.000 1.070 120 A CA -0.198 51.465 52.037 -0.624 0.000 0.770 120 A CB 0.138 18.441 19.000 -1.161 0.000 1.008 120 A HN 0.370 8.520 8.150 -0.000 0.000 0.497 121 S N 0.068 115.661 115.700 -0.179 0.000 2.617 121 S HA 0.435 4.912 4.470 0.011 0.000 0.283 121 S C 0.376 175.109 174.600 0.223 0.000 1.189 121 S CA -0.409 57.812 58.200 0.035 0.000 1.036 121 S CB 1.018 64.234 63.200 0.025 0.000 1.014 121 S HN 0.781 9.091 8.310 -0.000 0.000 0.522 122 T N 3.691 118.425 114.554 0.300 0.000 2.905 122 T HA 0.086 4.443 4.350 0.011 0.000 0.299 122 T C -0.007 174.851 174.700 0.264 0.000 1.024 122 T CA 0.716 63.026 62.100 0.351 0.000 1.151 122 T CB -0.131 68.879 68.868 0.235 0.000 0.987 122 T HN 0.371 8.611 8.240 -0.000 0.000 0.535 123 K N 1.889 122.466 120.400 0.296 0.000 2.553 123 K HA 0.472 4.799 4.320 0.011 0.000 0.250 123 K C 0.048 176.710 176.600 0.104 0.000 0.953 123 K CA -0.655 55.740 56.287 0.179 0.000 0.800 123 K CB 1.714 34.303 32.500 0.147 0.000 1.243 123 K HN 0.750 9.000 8.250 -0.000 0.000 0.435 124 G N 3.823 112.667 108.800 0.073 0.000 2.503 124 G HA2 0.330 4.297 3.960 0.011 0.000 0.257 124 G HA3 0.330 4.297 3.960 0.011 0.000 0.257 124 G C -2.407 172.465 174.900 -0.047 0.000 1.214 124 G CA -0.820 44.272 45.100 -0.013 0.000 0.839 124 G HN 0.363 8.653 8.290 -0.000 0.000 0.559 125 P HA 0.296 4.716 4.420 -0.000 0.000 0.278 125 P C -0.515 176.725 177.300 -0.101 0.000 1.266 125 P CA -0.492 62.588 63.100 -0.033 0.000 0.807 125 P CB 1.441 33.102 31.700 -0.065 0.000 1.094 126 S N -0.298 115.314 115.700 -0.147 0.000 2.475 126 S HA 0.430 4.907 4.470 0.011 0.000 0.298 126 S C -0.266 173.975 174.600 -0.598 0.000 1.119 126 S CA -0.609 57.361 58.200 -0.384 0.000 1.085 126 S CB 0.862 63.827 63.200 -0.390 0.000 1.028 126 S HN 0.184 8.494 8.310 -0.000 0.000 0.489 127 V N 4.363 123.883 119.914 -0.655 0.000 2.357 127 V HA 0.528 4.655 4.120 0.011 0.000 0.284 127 V C -1.166 174.592 176.094 -0.559 0.000 1.018 127 V CA -0.548 61.461 62.300 -0.485 0.000 0.841 127 V CB 0.343 32.013 31.823 -0.255 0.000 0.991 127 V HN 0.727 8.917 8.190 -0.000 0.000 0.437 128 F N 6.107 126.075 119.950 0.031 0.000 2.508 128 F HA 0.658 5.191 4.527 0.010 0.000 0.325 128 F C -2.089 173.744 175.800 0.054 0.000 1.090 128 F CA -2.987 55.036 58.000 0.039 0.000 0.945 128 F CB 1.843 40.868 39.000 0.041 0.000 1.156 128 F HN 0.279 8.579 8.300 -0.000 0.000 0.463 129 P HA 0.190 4.610 4.420 -0.000 0.000 0.274 129 P C -0.830 176.579 177.300 0.182 0.000 1.231 129 P CA -0.285 62.929 63.100 0.190 0.000 0.790 129 P CB 1.402 33.197 31.700 0.159 0.000 0.951 130 L N 1.991 123.321 121.223 0.178 0.000 2.435 130 L HA 0.392 4.739 4.340 0.011 0.000 0.253 130 L C 0.575 177.513 176.870 0.114 0.000 1.087 130 L CA -0.697 54.226 54.840 0.139 0.000 0.950 130 L CB -0.146 42.005 42.059 0.155 0.000 1.304 130 L HN 0.399 8.629 8.230 -0.000 0.000 0.453 131 A N 4.211 127.088 122.820 0.094 0.000 2.540 131 A HA 0.455 4.782 4.320 0.011 0.000 0.239 131 A C -1.904 175.709 177.584 0.047 0.000 1.061 131 A CA -0.570 51.513 52.037 0.076 0.000 0.758 131 A CB -0.672 18.368 19.000 0.068 0.000 0.991 131 A HN 0.450 8.600 8.150 -0.000 0.000 0.502 132 P HA 0.063 4.483 4.420 -0.000 0.000 0.271 132 P C 0.076 177.385 177.300 0.015 0.000 1.216 132 P CA -0.110 62.994 63.100 0.008 0.000 0.771 132 P CB 0.625 32.323 31.700 -0.004 0.000 0.864 133 S N 1.715 117.419 115.700 0.006 0.000 3.225 133 S HA -0.038 4.439 4.470 0.011 0.000 0.378 133 S C 1.608 176.216 174.600 0.013 0.000 1.190 133 S CA 0.374 58.578 58.200 0.008 0.000 1.104 133 S CB -0.333 62.868 63.200 0.001 0.000 0.795 133 S HN 0.566 8.876 8.310 -0.000 0.000 0.517 134 S N 4.956 120.666 115.700 0.017 0.000 2.387 134 S HA 0.079 4.556 4.470 0.011 0.000 0.221 134 S C 1.353 175.962 174.600 0.015 0.000 1.041 134 S CA 0.174 58.385 58.200 0.019 0.000 0.959 134 S CB -0.333 62.880 63.200 0.022 0.000 0.843 134 S HN 0.659 8.969 8.310 -0.000 0.000 0.488 135 K N 1.516 121.923 120.400 0.011 0.000 2.643 135 K HA 0.261 4.588 4.320 0.011 0.000 0.193 135 K C 0.339 176.943 176.600 0.007 0.000 1.027 135 K CA 0.270 56.562 56.287 0.009 0.000 1.033 135 K CB -0.012 32.492 32.500 0.007 0.000 0.827 135 K HN 0.307 8.557 8.250 -0.000 0.000 0.500 136 S N -0.841 114.863 115.700 0.008 0.000 2.593 136 S HA 0.100 4.577 4.470 0.011 0.000 0.178 136 S C 0.483 175.087 174.600 0.007 0.000 1.114 136 S CA -0.448 57.755 58.200 0.006 0.000 1.199 136 S CB -0.052 63.150 63.200 0.002 0.000 1.564 136 S HN 0.194 8.504 8.310 -0.000 0.000 0.407 137 T N 1.090 115.651 114.554 0.011 0.000 2.569 137 T HA -0.032 4.325 4.350 0.011 0.000 0.263 137 T C 0.911 175.619 174.700 0.013 0.000 1.074 137 T CA 1.153 63.262 62.100 0.015 0.000 1.176 137 T CB -0.189 68.691 68.868 0.019 0.000 0.863 137 T HN 0.423 8.663 8.240 -0.000 0.000 0.410 138 S N 0.873 116.580 115.700 0.012 0.000 2.642 138 S HA 0.503 4.980 4.470 0.011 0.000 0.309 138 S C 0.603 175.206 174.600 0.006 0.000 1.125 138 S CA -0.525 57.681 58.200 0.010 0.000 1.055 138 S CB 0.178 63.385 63.200 0.011 0.000 1.157 138 S HN 0.599 8.909 8.310 -0.000 0.000 0.513 139 G N 1.318 110.120 108.800 0.003 0.000 5.021 139 G HA2 0.509 4.476 3.960 0.011 0.000 0.254 139 G HA3 0.509 4.476 3.960 0.011 0.000 0.254 139 G C 0.666 175.564 174.900 -0.003 0.000 0.932 139 G CA 0.183 45.284 45.100 0.000 0.000 0.743 139 G HN 1.075 9.365 8.290 -0.000 0.000 0.441 140 G N 0.495 109.294 108.800 -0.001 0.000 3.692 140 G HA2 -0.196 3.770 3.960 0.011 0.000 0.265 140 G HA3 -0.196 3.770 3.960 0.011 0.000 0.265 140 G C 0.213 175.108 174.900 -0.008 0.000 1.733 140 G CA 0.155 45.253 45.100 -0.003 0.000 1.144 140 G HN 0.918 9.208 8.290 -0.000 0.000 0.602 141 T N 2.055 116.599 114.554 -0.015 0.000 2.829 141 T HA 0.740 5.096 4.350 0.011 0.000 0.282 141 T C 0.443 175.121 174.700 -0.036 0.000 0.990 141 T CA 0.626 62.709 62.100 -0.028 0.000 1.028 141 T CB 1.583 70.432 68.868 -0.031 0.000 0.951 141 T HN 1.512 9.752 8.240 -0.000 0.000 0.460 142 A N 1.810 124.597 122.820 -0.055 0.000 2.282 142 A HA 0.859 5.186 4.320 0.011 0.000 0.319 142 A C 1.052 178.579 177.584 -0.095 0.000 1.121 142 A CA -0.342 51.657 52.037 -0.064 0.000 0.836 142 A CB 0.471 19.431 19.000 -0.067 0.000 1.146 142 A HN 0.959 9.109 8.150 -0.000 0.000 0.494 143 A N 0.243 123.017 122.820 -0.078 0.000 2.099 143 A HA 0.539 4.866 4.320 0.011 0.000 0.206 143 A C 0.726 178.232 177.584 -0.129 0.000 1.464 143 A CA 1.078 53.069 52.037 -0.076 0.000 0.603 143 A CB -1.041 17.938 19.000 -0.034 0.000 1.056 143 A HN 1.969 10.119 8.150 -0.000 0.000 0.492 144 L N -3.346 117.822 121.223 -0.092 0.000 1.096 144 L HA 0.183 4.530 4.340 0.011 0.000 0.399 144 L C -0.156 176.680 176.870 -0.056 0.000 1.003 144 L CA 0.382 55.152 54.840 -0.117 0.000 1.217 144 L CB -0.682 41.169 42.059 -0.346 0.000 0.817 144 L HN 1.597 9.827 8.230 -0.000 0.000 0.447 145 G N 2.218 111.114 108.800 0.160 0.000 2.430 145 G HA2 0.615 4.582 3.960 0.011 0.000 0.300 145 G HA3 0.615 4.582 3.960 0.011 0.000 0.300 145 G C -1.852 173.332 174.900 0.474 0.000 1.330 145 G CA 0.054 45.381 45.100 0.380 0.000 0.813 145 G HN 0.782 9.072 8.290 -0.000 0.000 0.487 146 c N -0.425 118.427 118.600 0.420 0.000 2.608 146 c HA 0.671 5.248 4.570 0.011 0.000 0.325 146 c C -0.747 173.459 174.090 0.194 0.000 1.147 146 c CA -0.596 55.864 56.329 0.219 0.000 1.359 146 c CB 0.860 43.379 42.510 0.015 0.000 1.912 146 c HN 0.831 9.061 8.230 -0.000 0.000 0.466 147 L N 5.257 126.589 121.223 0.181 0.000 2.262 147 L HA 0.682 5.029 4.340 0.011 0.000 0.288 147 L C -0.181 176.775 176.870 0.143 0.000 1.035 147 L CA 0.091 55.049 54.840 0.197 0.000 0.820 147 L CB 1.164 43.378 42.059 0.259 0.000 1.204 147 L HN 0.550 8.780 8.230 -0.000 0.000 0.424 148 V N 6.399 126.389 119.914 0.127 0.000 2.304 148 V HA 0.535 4.662 4.120 0.011 0.000 0.269 148 V C -0.342 175.885 176.094 0.222 0.000 1.036 148 V CA -0.387 61.958 62.300 0.076 0.000 0.840 148 V CB 0.607 32.424 31.823 -0.010 0.000 1.036 148 V HN 0.958 9.148 8.190 -0.000 0.000 0.466 149 K N 4.123 124.633 120.400 0.184 0.000 2.267 149 K HA 0.539 4.865 4.320 0.011 0.000 0.246 149 K C -0.690 176.026 176.600 0.193 0.000 0.954 149 K CA -0.337 56.086 56.287 0.227 0.000 0.824 149 K CB 1.562 34.208 32.500 0.243 0.000 1.167 149 K HN 0.568 8.818 8.250 -0.000 0.000 0.431 150 D N 1.531 122.002 120.400 0.118 0.000 2.990 150 D HA -0.193 4.454 4.640 0.011 0.000 0.245 150 D C -1.363 174.997 176.300 0.100 0.000 1.120 150 D CA 1.437 55.473 54.000 0.059 0.000 0.838 150 D CB -1.531 39.317 40.800 0.080 0.000 1.000 150 D HN 0.572 8.942 8.370 -0.000 0.000 0.420 151 Y N -1.483 118.846 120.300 0.048 0.000 2.605 151 Y HA 0.822 5.381 4.550 0.015 0.000 0.343 151 Y C -1.082 174.930 175.900 0.186 0.000 1.036 151 Y CA -1.812 56.265 58.100 -0.039 0.000 1.065 151 Y CB 1.652 39.919 38.460 -0.322 0.000 1.288 151 Y HN -0.012 8.268 8.280 -0.000 0.000 0.481 152 F N 3.339 123.401 119.950 0.187 0.000 2.654 152 F HA 0.668 5.201 4.527 0.009 0.000 0.314 152 F C -3.077 172.970 175.800 0.412 0.000 1.116 152 F CA -1.946 56.236 58.000 0.302 0.000 1.017 152 F CB 2.386 41.469 39.000 0.137 0.000 1.285 152 F HN 0.446 8.746 8.300 -0.000 0.000 0.448 153 P HA 0.274 4.694 4.420 -0.000 0.000 0.321 153 P C -1.029 176.263 177.300 -0.013 0.000 1.304 153 P CA -0.270 62.297 63.100 -0.889 0.000 0.759 153 P CB 1.209 32.296 31.700 -1.022 0.000 1.385 154 E N 0.012 120.086 120.200 -0.210 0.000 2.374 154 E HA 0.273 4.630 4.350 0.011 0.000 0.260 154 E C -1.764 174.778 176.600 -0.098 0.000 1.101 154 E CA -0.946 55.377 56.400 -0.128 0.000 0.907 154 E CB -0.042 29.443 29.700 -0.358 0.000 1.014 154 E HN 0.431 8.791 8.360 -0.000 0.000 0.427 155 P HA 0.426 4.846 4.420 -0.000 0.000 0.309 155 P C -1.052 176.221 177.300 -0.045 0.000 1.302 155 P CA -0.656 62.416 63.100 -0.046 0.000 0.835 155 P CB 1.295 32.953 31.700 -0.070 0.000 1.324 156 V N -0.594 119.257 119.914 -0.107 0.000 2.876 156 V HA 0.590 4.717 4.120 0.011 0.000 0.312 156 V C -0.528 175.492 176.094 -0.123 0.000 1.085 156 V CA -0.359 61.829 62.300 -0.187 0.000 0.945 156 V CB 2.319 33.847 31.823 -0.493 0.000 1.017 156 V HN 0.917 9.107 8.190 -0.000 0.000 0.428 157 T N 1.582 116.067 114.554 -0.115 0.000 2.841 157 T HA 0.840 5.196 4.350 0.011 0.000 0.283 157 T C -1.087 173.552 174.700 -0.101 0.000 1.000 157 T CA -0.721 61.328 62.100 -0.085 0.000 0.977 157 T CB 1.681 70.506 68.868 -0.073 0.000 0.979 157 T HN 0.421 8.661 8.240 -0.000 0.000 0.446 158 V N 2.829 122.692 119.914 -0.084 0.000 2.577 158 V HA 0.712 4.838 4.120 0.011 0.000 0.303 158 V C 0.000 176.034 176.094 -0.101 0.000 1.042 158 V CA -0.773 61.449 62.300 -0.130 0.000 0.872 158 V CB 1.753 33.498 31.823 -0.130 0.000 0.998 158 V HN 1.266 9.456 8.190 -0.000 0.000 0.423 159 S N 2.461 118.068 115.700 -0.155 0.000 2.715 159 S HA 0.835 5.312 4.470 0.011 0.000 0.307 159 S C -1.539 172.963 174.600 -0.164 0.000 1.119 159 S CA -0.847 57.323 58.200 -0.051 0.000 0.937 159 S CB 1.942 65.133 63.200 -0.014 0.000 1.150 159 S HN 0.543 8.853 8.310 -0.000 0.000 0.521 160 W N 0.536 121.848 121.300 0.020 0.000 2.739 160 W HA 0.549 5.216 4.660 0.011 0.000 0.331 160 W C -0.051 176.499 176.519 0.052 0.000 1.049 160 W CA -0.309 57.066 57.345 0.049 0.000 1.234 160 W CB 0.750 30.249 29.460 0.065 0.000 1.404 160 W HN 0.963 9.143 8.180 -0.000 0.000 0.477 161 N N 2.727 121.587 118.700 0.268 0.000 2.725 161 N HA -0.259 4.488 4.740 0.011 0.000 0.251 161 N C 0.187 175.752 175.510 0.092 0.000 1.031 161 N CA 0.811 53.958 53.050 0.162 0.000 0.720 161 N CB -0.829 37.766 38.487 0.179 0.000 0.930 161 N HN 0.532 8.912 8.380 -0.000 0.000 0.543 162 S N -2.133 113.598 115.700 0.052 0.000 3.473 162 S HA -0.227 4.250 4.470 0.011 0.000 0.339 162 S C 1.385 176.006 174.600 0.035 0.000 1.148 162 S CA 1.769 59.983 58.200 0.023 0.000 0.969 162 S CB -1.451 61.756 63.200 0.012 0.000 0.936 162 S HN 1.261 9.571 8.310 -0.000 0.000 0.530 163 G N -0.727 108.114 108.800 0.068 0.000 2.194 163 G HA2 -0.104 3.863 3.960 0.011 0.000 0.236 163 G HA3 -0.104 3.863 3.960 0.011 0.000 0.236 163 G C 0.795 175.735 174.900 0.068 0.000 0.987 163 G CA 0.826 45.965 45.100 0.065 0.000 0.635 163 G HN 1.610 9.900 8.290 -0.000 0.000 0.520 164 A N -0.518 122.347 122.820 0.074 0.000 2.066 164 A HA 0.547 4.873 4.320 0.011 0.000 0.218 164 A C 1.213 178.842 177.584 0.075 0.000 1.157 164 A CA 1.192 53.266 52.037 0.061 0.000 0.670 164 A CB 0.077 19.107 19.000 0.051 0.000 0.804 164 A HN 0.912 9.062 8.150 -0.000 0.000 0.453 165 L N 1.093 122.389 121.223 0.121 0.000 2.276 165 L HA 0.328 4.674 4.340 0.011 0.000 0.286 165 L C 0.962 177.892 176.870 0.100 0.000 1.024 165 L CA 0.393 55.306 54.840 0.122 0.000 0.826 165 L CB 1.595 43.774 42.059 0.201 0.000 1.211 165 L HN 0.464 8.694 8.230 -0.000 0.000 0.422 166 T N -2.426 112.149 114.554 0.034 0.000 3.010 166 T HA 0.104 4.461 4.350 0.011 0.000 0.253 166 T C 0.607 175.275 174.700 -0.053 0.000 0.939 166 T CA -0.053 62.050 62.100 0.005 0.000 0.910 166 T CB 0.166 69.036 68.868 0.004 0.000 1.226 166 T HN 0.466 8.706 8.240 -0.000 0.000 0.508 167 S N 1.276 116.947 115.700 -0.048 0.000 2.549 167 S HA 0.525 5.002 4.470 0.011 0.000 0.279 167 S C 1.661 176.205 174.600 -0.093 0.000 1.321 167 S CA 0.015 58.175 58.200 -0.066 0.000 1.054 167 S CB 0.541 63.718 63.200 -0.039 0.000 0.899 167 S HN 1.314 9.624 8.310 -0.000 0.000 0.497 168 G N 1.161 109.902 108.800 -0.098 0.000 2.304 168 G HA2 -0.290 3.677 3.960 0.011 0.000 0.252 168 G HA3 -0.290 3.677 3.960 0.011 0.000 0.252 168 G C 0.161 175.010 174.900 -0.084 0.000 1.014 168 G CA -0.011 45.050 45.100 -0.064 0.000 0.619 168 G HN 0.920 9.210 8.290 -0.000 0.000 0.525 169 V N 1.332 121.133 119.914 -0.189 0.000 2.599 169 V HA 0.425 4.552 4.120 0.011 0.000 0.300 169 V C 0.379 176.308 176.094 -0.274 0.000 1.034 169 V CA 0.509 62.693 62.300 -0.193 0.000 1.115 169 V CB 0.888 32.642 31.823 -0.114 0.000 0.934 169 V HN 0.447 8.637 8.190 -0.000 0.000 0.485 170 H N 1.507 120.494 119.070 -0.139 0.000 3.078 170 H HA 0.404 4.967 4.556 0.011 0.000 0.319 170 H C -0.249 174.890 175.328 -0.314 0.000 0.995 170 H CA -0.285 55.589 56.048 -0.291 0.000 1.417 170 H CB 1.463 30.980 29.762 -0.408 0.000 1.598 170 H HN 0.619 8.899 8.280 -0.000 0.000 0.515 171 T N 4.777 119.233 114.554 -0.163 0.000 2.753 171 T HA 0.266 4.623 4.350 0.011 0.000 0.297 171 T C -0.147 174.479 174.700 -0.123 0.000 0.981 171 T CA -0.521 61.561 62.100 -0.029 0.000 0.956 171 T CB -0.148 68.750 68.868 0.049 0.000 0.936 171 T HN 0.225 8.465 8.240 -0.000 0.000 0.463 172 F N 4.567 124.596 119.950 0.132 0.000 2.418 172 F HA 0.360 4.894 4.527 0.011 0.000 0.341 172 F C -1.423 174.437 175.800 0.100 0.000 1.120 172 F CA -2.352 55.714 58.000 0.111 0.000 1.232 172 F CB 0.062 39.125 39.000 0.105 0.000 1.175 172 F HN 0.335 8.635 8.300 -0.000 0.000 0.569 173 P HA 0.111 4.531 4.420 -0.000 0.000 0.266 173 P C -0.655 176.768 177.300 0.205 0.000 1.195 173 P CA -0.315 62.895 63.100 0.183 0.000 0.768 173 P CB 0.365 32.156 31.700 0.152 0.000 0.838 174 A N 2.713 125.638 122.820 0.175 0.000 2.386 174 A HA 0.348 4.675 4.320 0.011 0.000 0.246 174 A C -0.138 177.577 177.584 0.219 0.000 1.089 174 A CA -0.100 52.065 52.037 0.215 0.000 0.790 174 A CB 0.180 19.293 19.000 0.188 0.000 1.042 174 A HN 0.415 8.565 8.150 -0.000 0.000 0.497 175 V N 1.473 121.529 119.914 0.237 0.000 2.709 175 V HA 0.352 4.479 4.120 0.011 0.000 0.308 175 V C -0.868 175.324 176.094 0.162 0.000 1.062 175 V CA -0.641 61.767 62.300 0.180 0.000 0.901 175 V CB 1.718 33.602 31.823 0.102 0.000 1.003 175 V HN 0.833 9.023 8.190 -0.000 0.000 0.425 176 L N 5.981 127.261 121.223 0.094 0.000 2.315 176 L HA 0.400 4.747 4.340 0.011 0.000 0.283 176 L C 0.375 177.180 176.870 -0.108 0.000 1.089 176 L CA 0.628 55.387 54.840 -0.135 0.000 0.833 176 L CB 0.847 42.837 42.059 -0.114 0.000 1.170 176 L HN 0.697 8.927 8.230 -0.000 0.000 0.442 177 Q N 1.882 121.590 119.800 -0.154 0.000 2.317 177 Q HA 0.167 4.514 4.340 0.011 0.000 0.229 177 Q C 1.265 177.204 176.000 -0.102 0.000 0.984 177 Q CA 0.354 56.099 55.803 -0.096 0.000 0.911 177 Q CB 0.858 29.545 28.738 -0.086 0.000 1.217 177 Q HN 0.812 9.082 8.270 -0.000 0.000 0.501 178 S N -0.468 115.191 115.700 -0.068 0.000 2.469 178 S HA -0.161 4.316 4.470 0.011 0.000 0.238 178 S C 1.667 176.220 174.600 -0.078 0.000 0.998 178 S CA 1.404 59.566 58.200 -0.063 0.000 0.957 178 S CB -0.290 62.885 63.200 -0.043 0.000 0.764 178 S HN 0.649 8.959 8.310 -0.000 0.000 0.514 179 S N 0.209 115.857 115.700 -0.088 0.000 2.522 179 S HA 0.387 4.864 4.470 0.011 0.000 0.227 179 S C 1.683 176.198 174.600 -0.142 0.000 0.986 179 S CA 0.539 58.681 58.200 -0.096 0.000 0.929 179 S CB -0.771 62.382 63.200 -0.079 0.000 0.769 179 S HN 1.571 9.881 8.310 -0.000 0.000 0.529 180 G N 0.178 108.871 108.800 -0.178 0.000 2.141 180 G HA2 -0.179 3.788 3.960 0.011 0.000 0.242 180 G HA3 -0.179 3.788 3.960 0.011 0.000 0.242 180 G C -0.330 174.379 174.900 -0.318 0.000 0.982 180 G CA 0.178 45.129 45.100 -0.249 0.000 0.662 180 G HN 0.456 8.746 8.290 -0.000 0.000 0.527 181 L N 0.207 121.269 121.223 -0.269 0.000 2.325 181 L HA 0.762 5.109 4.340 0.011 0.000 0.278 181 L C 0.338 176.979 176.870 -0.381 0.000 1.023 181 L CA -1.857 52.842 54.840 -0.235 0.000 0.811 181 L CB 0.956 42.945 42.059 -0.117 0.000 1.249 181 L HN 0.142 8.372 8.230 -0.000 0.000 0.431 182 Y N 0.689 120.788 120.300 -0.335 0.000 2.326 182 Y HA 0.598 5.155 4.550 0.012 0.000 0.324 182 Y C 0.687 176.270 175.900 -0.527 0.000 1.291 182 Y CA 0.027 57.819 58.100 -0.513 0.000 1.348 182 Y CB 1.580 39.517 38.460 -0.872 0.000 1.294 182 Y HN 0.539 8.819 8.280 -0.000 0.000 0.525 183 S N 1.585 117.265 115.700 -0.032 0.000 2.533 183 S HA 0.805 5.282 4.470 0.011 0.000 0.271 183 S C -1.896 172.844 174.600 0.234 0.000 1.143 183 S CA -0.638 57.639 58.200 0.128 0.000 0.891 183 S CB 0.680 63.935 63.200 0.092 0.000 1.105 183 S HN 0.602 8.912 8.310 -0.000 0.000 0.468 184 L N 1.079 122.479 121.223 0.296 0.000 2.671 184 L HA 0.970 5.317 4.340 0.011 0.000 0.259 184 L C -0.973 176.040 176.870 0.239 0.000 1.021 184 L CA -0.571 54.428 54.840 0.264 0.000 0.871 184 L CB 1.550 43.790 42.059 0.302 0.000 1.472 184 L HN 0.558 8.788 8.230 -0.000 0.000 0.410 185 S N -0.239 115.622 115.700 0.268 0.000 2.542 185 S HA 0.855 5.332 4.470 0.011 0.000 0.293 185 S C -0.630 174.218 174.600 0.415 0.000 1.089 185 S CA -0.502 57.872 58.200 0.289 0.000 0.961 185 S CB 1.563 64.899 63.200 0.226 0.000 1.062 185 S HN 1.012 9.322 8.310 -0.000 0.000 0.483 186 S N 1.342 117.267 115.700 0.375 0.000 2.552 186 S HA 0.682 5.159 4.470 0.011 0.000 0.314 186 S C -0.317 174.589 174.600 0.511 0.000 1.099 186 S CA -0.564 57.892 58.200 0.427 0.000 1.070 186 S CB 0.180 63.627 63.200 0.412 0.000 0.998 186 S HN 1.273 9.583 8.310 -0.000 0.000 0.474 187 V N 2.782 122.915 119.914 0.365 0.000 3.103 187 V HA 1.000 5.127 4.120 0.011 0.000 0.318 187 V C -0.889 175.142 176.094 -0.106 0.000 1.114 187 V CA -0.730 61.679 62.300 0.181 0.000 1.020 187 V CB 1.646 33.591 31.823 0.203 0.000 1.085 187 V HN 0.663 8.853 8.190 -0.000 0.000 0.446 188 V N 0.045 119.766 119.914 -0.322 0.000 2.817 188 V HA 0.544 4.671 4.120 0.011 0.000 0.303 188 V C -0.254 175.637 176.094 -0.338 0.000 1.151 188 V CA -0.196 61.830 62.300 -0.457 0.000 0.929 188 V CB 1.753 33.014 31.823 -0.936 0.000 1.030 188 V HN 1.112 9.302 8.190 -0.000 0.000 0.427 189 T N 1.852 116.279 114.554 -0.212 0.000 2.733 189 T HA 0.738 5.095 4.350 0.011 0.000 0.294 189 T C -0.075 174.517 174.700 -0.181 0.000 0.956 189 T CA -0.584 61.419 62.100 -0.163 0.000 0.987 189 T CB 1.313 70.135 68.868 -0.077 0.000 0.920 189 T HN 1.109 9.349 8.240 -0.000 0.000 0.470 190 V N -0.191 119.600 119.914 -0.206 0.000 3.158 190 V HA 0.897 5.024 4.120 0.011 0.000 0.315 190 V C -2.956 173.099 176.094 -0.065 0.000 1.148 190 V CA -3.328 58.883 62.300 -0.149 0.000 1.042 190 V CB 1.804 33.469 31.823 -0.263 0.000 1.101 190 V HN 0.590 8.780 8.190 -0.000 0.000 0.448 191 P HA 0.344 4.764 4.420 -0.000 0.000 0.286 191 P C 0.529 177.841 177.300 0.021 0.000 1.269 191 P CA -0.082 63.023 63.100 0.008 0.000 0.787 191 P CB 1.570 33.283 31.700 0.023 0.000 0.920 192 S N 2.096 117.802 115.700 0.008 0.000 2.402 192 S HA -0.203 4.273 4.470 0.011 0.000 0.233 192 S C 1.910 176.531 174.600 0.035 0.000 1.030 192 S CA 2.057 60.267 58.200 0.017 0.000 1.003 192 S CB -1.023 62.182 63.200 0.008 0.000 0.813 192 S HN 0.737 9.047 8.310 -0.000 0.000 0.477 193 S N 2.351 118.070 115.700 0.032 0.000 2.399 193 S HA -0.125 4.352 4.470 0.011 0.000 0.231 193 S C 1.933 176.563 174.600 0.050 0.000 1.022 193 S CA 1.255 59.475 58.200 0.034 0.000 0.983 193 S CB -0.744 62.471 63.200 0.025 0.000 0.803 193 S HN 0.666 8.976 8.310 -0.000 0.000 0.480 194 S N 1.660 117.404 115.700 0.073 0.000 2.481 194 S HA 0.180 4.657 4.470 0.011 0.000 0.231 194 S C 0.761 175.444 174.600 0.138 0.000 0.996 194 S CA -0.203 58.059 58.200 0.103 0.000 0.942 194 S CB -0.934 62.362 63.200 0.162 0.000 0.768 194 S HN 0.548 8.858 8.310 -0.000 0.000 0.520 195 L N 2.163 123.472 121.223 0.144 0.000 2.534 195 L HA 0.393 4.740 4.340 0.011 0.000 0.271 195 L C 1.672 178.598 176.870 0.093 0.000 1.178 195 L CA 0.640 55.572 54.840 0.155 0.000 0.907 195 L CB -0.119 42.002 42.059 0.104 0.000 1.164 195 L HN 0.572 8.802 8.230 -0.000 0.000 0.482 196 G N 2.219 111.070 108.800 0.085 0.000 2.279 196 G HA2 -0.313 3.653 3.960 0.011 0.000 0.223 196 G HA3 -0.313 3.653 3.960 0.011 0.000 0.223 196 G C 0.777 175.689 174.900 0.020 0.000 1.015 196 G CA 0.404 45.532 45.100 0.047 0.000 0.621 196 G HN 0.595 8.884 8.290 -0.000 0.000 0.506 197 T N -1.271 113.289 114.554 0.012 0.000 3.045 197 T HA 0.383 4.739 4.350 0.011 0.000 0.239 197 T C 0.962 175.623 174.700 -0.065 0.000 1.008 197 T CA 1.292 63.383 62.100 -0.015 0.000 1.143 197 T CB 0.136 69.001 68.868 -0.005 0.000 0.894 197 T HN 0.457 8.697 8.240 -0.000 0.000 0.451 198 Q N 3.210 122.948 119.800 -0.105 0.000 2.322 198 Q HA 0.395 4.742 4.340 0.011 0.000 0.256 198 Q C -0.225 175.457 176.000 -0.531 0.000 0.960 198 Q CA -0.260 55.363 55.803 -0.300 0.000 0.934 198 Q CB 0.820 29.362 28.738 -0.327 0.000 1.200 198 Q HN 0.380 8.650 8.270 -0.000 0.000 0.435 199 T N 3.368 117.674 114.554 -0.413 0.000 2.897 199 T HA 0.445 4.802 4.350 0.011 0.000 0.294 199 T C -1.005 173.419 174.700 -0.459 0.000 1.004 199 T CA -0.147 61.774 62.100 -0.299 0.000 1.106 199 T CB 0.275 69.078 68.868 -0.108 0.000 0.949 199 T HN 0.471 8.710 8.240 -0.000 0.000 0.520 200 Y N 3.541 123.920 120.300 0.131 0.000 2.331 200 Y HA 0.622 5.180 4.550 0.012 0.000 0.334 200 Y C 0.129 176.192 175.900 0.272 0.000 0.960 200 Y CA -1.180 57.062 58.100 0.236 0.000 1.130 200 Y CB 1.456 40.065 38.460 0.248 0.000 1.164 200 Y HN 0.559 8.839 8.280 -0.000 0.000 0.458 201 I N 3.914 124.714 120.570 0.382 0.000 2.466 201 I HA 0.384 4.561 4.170 0.011 0.000 0.289 201 I C -0.605 175.465 176.117 -0.077 0.000 1.026 201 I CA -0.956 60.427 61.300 0.138 0.000 1.078 201 I CB 1.443 39.475 38.000 0.054 0.000 1.249 201 I HN 0.702 8.912 8.210 -0.000 0.000 0.429 202 c N 4.292 122.604 118.600 -0.480 0.000 2.350 202 c HA 0.541 5.117 4.570 0.011 0.000 0.348 202 c C -0.244 173.546 174.090 -0.500 0.000 1.260 202 c CA -0.757 54.959 56.329 -1.021 0.000 1.966 202 c CB 0.269 41.877 42.510 -1.504 0.000 2.380 202 c HN 0.694 8.924 8.230 -0.000 0.000 0.535 203 N N 3.164 121.612 118.700 -0.420 0.000 2.457 203 N HA 0.429 5.176 4.740 0.011 0.000 0.250 203 N C -0.985 174.387 175.510 -0.230 0.000 0.982 203 N CA -0.201 52.706 53.050 -0.239 0.000 0.941 203 N CB 1.844 40.241 38.487 -0.151 0.000 1.120 203 N HN 0.652 9.032 8.380 -0.000 0.000 0.505 204 V N 2.386 122.181 119.914 -0.198 0.000 2.417 204 V HA 0.365 4.491 4.120 0.011 0.000 0.291 204 V C -0.053 175.963 176.094 -0.130 0.000 1.024 204 V CA -0.803 61.391 62.300 -0.177 0.000 0.861 204 V CB 1.471 33.181 31.823 -0.190 0.000 0.985 204 V HN 0.617 8.807 8.190 -0.000 0.000 0.436 205 N N 1.909 120.540 118.700 -0.116 0.000 2.295 205 N HA 0.343 5.090 4.740 0.011 0.000 0.293 205 N C -1.128 174.347 175.510 -0.059 0.000 1.040 205 N CA -0.549 52.453 53.050 -0.080 0.000 0.840 205 N CB 1.481 39.922 38.487 -0.078 0.000 1.468 205 N HN 0.815 9.195 8.380 -0.000 0.000 0.478 206 H N 3.172 122.153 119.070 -0.149 0.000 2.792 206 H HA 0.193 4.756 4.556 0.011 0.000 0.298 206 H C 0.380 175.653 175.328 -0.092 0.000 1.042 206 H CA -0.300 55.655 56.048 -0.156 0.000 1.300 206 H CB 1.196 30.860 29.762 -0.165 0.000 1.431 206 H HN 0.724 9.004 8.280 -0.000 0.000 0.496 207 K N 4.900 125.108 120.400 -0.319 0.000 2.057 207 K HA 0.004 4.331 4.320 0.011 0.000 0.206 207 K C -1.099 175.328 176.600 -0.288 0.000 1.050 207 K CA 0.990 57.133 56.287 -0.241 0.000 0.935 207 K CB -0.468 31.923 32.500 -0.182 0.000 0.715 207 K HN 0.387 8.637 8.250 -0.000 0.000 0.439 208 P HA -0.170 4.250 4.420 -0.000 0.000 0.217 208 P C 0.734 177.967 177.300 -0.112 0.000 1.148 208 P CA 1.825 64.742 63.100 -0.307 0.000 0.834 208 P CB 0.026 31.501 31.700 -0.375 0.000 0.783 209 S N -3.594 112.082 115.700 -0.039 0.000 2.539 209 S HA 0.120 4.597 4.470 0.011 0.000 0.221 209 S C 0.777 175.415 174.600 0.064 0.000 0.987 209 S CA -0.343 57.935 58.200 0.130 0.000 0.929 209 S CB -0.987 62.403 63.200 0.316 0.000 0.832 209 S HN 0.121 8.431 8.310 -0.000 0.000 0.492 210 N N 1.488 120.188 118.700 -0.001 0.000 2.735 210 N HA -0.128 4.619 4.740 0.011 0.000 0.248 210 N C -1.228 174.289 175.510 0.011 0.000 1.083 210 N CA 0.952 53.996 53.050 -0.010 0.000 0.703 210 N CB -1.056 37.426 38.487 -0.007 0.000 1.005 210 N HN 0.510 8.890 8.380 -0.000 0.000 0.550 211 T N 1.069 115.646 114.554 0.039 0.000 2.829 211 T HA 0.465 4.822 4.350 0.011 0.000 0.282 211 T C 0.136 174.834 174.700 -0.003 0.000 0.990 211 T CA -0.210 61.908 62.100 0.030 0.000 1.028 211 T CB 2.518 71.421 68.868 0.058 0.000 0.951 211 T HN 0.169 8.409 8.240 -0.000 0.000 0.460 212 K N 1.918 122.302 120.400 -0.026 0.000 2.565 212 K HA 0.644 4.971 4.320 0.011 0.000 0.249 212 K C -1.668 174.897 176.600 -0.058 0.000 0.958 212 K CA -0.689 55.570 56.287 -0.047 0.000 0.806 212 K CB 1.850 34.325 32.500 -0.043 0.000 1.194 212 K HN 0.449 8.699 8.250 -0.000 0.000 0.434 213 V N 2.424 122.290 119.914 -0.081 0.000 2.841 213 V HA 0.607 4.734 4.120 0.011 0.000 0.310 213 V C -1.855 174.175 176.094 -0.106 0.000 1.090 213 V CA -0.502 61.745 62.300 -0.088 0.000 0.930 213 V CB 2.116 33.877 31.823 -0.103 0.000 1.014 213 V HN 0.777 8.967 8.190 -0.000 0.000 0.425 214 D N 4.592 124.939 120.400 -0.088 0.000 2.391 214 D HA 0.503 5.150 4.640 0.011 0.000 0.245 214 D C -0.862 175.390 176.300 -0.080 0.000 1.069 214 D CA -0.254 53.690 54.000 -0.094 0.000 0.831 214 D CB 2.001 42.762 40.800 -0.065 0.000 1.204 214 D HN 0.483 8.853 8.370 -0.000 0.000 0.503 215 K N 2.346 122.687 120.400 -0.098 0.000 2.502 215 K HA 0.195 4.522 4.320 0.011 0.000 0.254 215 K C -0.467 176.129 176.600 -0.008 0.000 0.947 215 K CA -0.698 55.556 56.287 -0.054 0.000 0.834 215 K CB 1.927 34.384 32.500 -0.071 0.000 1.112 215 K HN 0.175 8.425 8.250 -0.000 0.000 0.427 216 K N 2.950 123.372 120.400 0.036 0.000 2.298 216 K HA 0.234 4.561 4.320 0.011 0.000 0.280 216 K C -0.245 176.432 176.600 0.129 0.000 1.032 216 K CA -0.148 56.192 56.287 0.089 0.000 0.958 216 K CB 0.844 33.387 32.500 0.072 0.000 0.978 216 K HN 0.317 8.567 8.250 -0.000 0.000 0.472 217 V N 0.000 120.042 119.914 0.214 0.000 2.409 217 V HA 0.000 4.127 4.120 0.011 0.000 0.244 217 V CA 0.000 62.438 62.300 0.229 0.000 1.235 217 V CB 0.000 32.023 31.823 0.334 0.000 1.184 217 V HN 0.000 8.190 8.190 -0.000 0.000 0.556