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 1a8t_1_B DATA FIRST_RESID 3 DATA SEQUENCE KSVKISDDIS ITQLSDKVYT YVSLAEIEGW GMVPSNGMIV INNHQAALLD DATA SEQUENCE TPINDAQTEM LVNWVTDSLH AKVTTFIPNH WHGDCIGGLG YLQRKGVQSY DATA SEQUENCE ANQMTIDLAK EKGLPVPEHG FTDSLTVSLD GMPLQCYYLG GGHATDNIVV DATA SEQUENCE WLPTENILFG GCMLKDNQTT SIGNISDADV TAWPKTLDKV KAKFPSARYV DATA SEQUENCE VPGHGNYGGT ELIEHTKQIV NQYIESTS 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.635 176.600 0.059 0.000 0.988 3 K CA 0.000 56.318 56.287 0.052 0.000 0.838 3 K CB 0.000 32.542 32.500 0.070 0.000 1.064 4 S N 0.735 116.463 115.700 0.045 0.000 2.647 4 S HA 0.762 5.229 4.470 -0.006 0.000 0.300 4 S C -0.837 173.774 174.600 0.019 0.000 1.129 4 S CA -0.620 57.599 58.200 0.031 0.000 1.029 4 S CB 1.402 64.618 63.200 0.026 0.000 1.007 4 S HN 0.983 9.293 8.310 -0.000 0.000 0.484 5 V N 1.240 121.156 119.914 0.002 0.000 2.888 5 V HA 0.644 4.760 4.120 -0.006 0.000 0.309 5 V C -1.063 174.992 176.094 -0.065 0.000 1.114 5 V CA -1.116 61.178 62.300 -0.010 0.000 0.940 5 V CB 1.820 33.656 31.823 0.021 0.000 1.021 5 V HN 0.669 8.859 8.190 -0.000 0.000 0.426 6 K N 3.060 123.422 120.400 -0.064 0.000 2.284 6 K HA 0.491 4.807 4.320 -0.006 0.000 0.287 6 K C 0.802 177.322 176.600 -0.132 0.000 1.081 6 K CA -0.297 55.926 56.287 -0.107 0.000 0.910 6 K CB 1.260 33.719 32.500 -0.070 0.000 1.088 6 K HN 0.762 9.012 8.250 -0.000 0.000 0.478 7 I N 1.267 121.676 120.570 -0.270 0.000 2.145 7 I HA -0.340 3.826 4.170 -0.006 0.000 0.244 7 I C 1.381 177.414 176.117 -0.139 0.000 1.075 7 I CA 1.524 62.631 61.300 -0.321 0.000 1.332 7 I CB 0.026 37.654 38.000 -0.620 0.000 1.033 7 I HN 0.530 8.740 8.210 -0.000 0.000 0.410 8 S N -1.561 114.056 115.700 -0.138 0.000 2.971 8 S HA 0.228 4.694 4.470 -0.006 0.000 0.320 8 S C 0.179 174.743 174.600 -0.061 0.000 1.111 8 S CA -0.500 57.651 58.200 -0.081 0.000 0.870 8 S CB 1.106 64.251 63.200 -0.092 0.000 1.331 8 S HN 0.137 8.447 8.310 -0.000 0.000 0.635 9 D N 0.290 120.665 120.400 -0.043 0.000 2.271 9 D HA 0.144 4.781 4.640 -0.006 0.000 0.206 9 D C -0.322 175.961 176.300 -0.027 0.000 0.967 9 D CA 0.790 54.773 54.000 -0.029 0.000 0.867 9 D CB 0.120 40.909 40.800 -0.018 0.000 0.960 9 D HN 0.617 8.987 8.370 -0.000 0.000 0.509 10 D N -0.068 120.313 120.400 -0.033 0.000 2.804 10 D HA 0.272 4.909 4.640 -0.006 0.000 0.308 10 D C -0.362 175.920 176.300 -0.030 0.000 1.371 10 D CA -0.153 53.834 54.000 -0.022 0.000 0.823 10 D CB 0.579 41.373 40.800 -0.010 0.000 1.126 10 D HN 0.081 8.451 8.370 -0.000 0.000 0.467 11 I N 0.744 121.278 120.570 -0.059 0.000 2.611 11 I HA 0.228 4.395 4.170 -0.006 0.000 0.287 11 I C -0.768 175.277 176.117 -0.121 0.000 1.184 11 I CA -0.774 60.477 61.300 -0.082 0.000 1.054 11 I CB 2.091 39.999 38.000 -0.153 0.000 1.257 11 I HN 0.046 8.256 8.210 -0.000 0.000 0.435 12 S N 7.169 122.822 115.700 -0.079 0.000 2.681 12 S HA 0.770 5.236 4.470 -0.006 0.000 0.299 12 S C -0.923 173.596 174.600 -0.134 0.000 1.113 12 S CA -0.480 57.661 58.200 -0.098 0.000 1.013 12 S CB 1.657 64.832 63.200 -0.042 0.000 1.076 12 S HN 0.435 8.745 8.310 -0.000 0.000 0.534 13 I N 2.590 123.070 120.570 -0.150 0.000 2.548 13 I HA 0.337 4.503 4.170 -0.006 0.000 0.287 13 I C -0.706 175.403 176.117 -0.014 0.000 1.103 13 I CA -0.133 61.079 61.300 -0.146 0.000 1.049 13 I CB 1.679 39.447 38.000 -0.388 0.000 1.232 13 I HN 0.711 8.921 8.210 -0.000 0.000 0.429 14 T N 5.495 120.066 114.554 0.028 0.000 2.786 14 T HA 0.251 4.598 4.350 -0.006 0.000 0.283 14 T C 0.021 174.713 174.700 -0.013 0.000 0.992 14 T CA -0.445 61.660 62.100 0.008 0.000 0.954 14 T CB 1.340 70.177 68.868 -0.052 0.000 0.934 14 T HN 0.499 8.739 8.240 -0.000 0.000 0.440 15 Q N 4.146 123.945 119.800 -0.001 0.000 2.388 15 Q HA 0.172 4.508 4.340 -0.006 0.000 0.246 15 Q C 0.700 176.452 176.000 -0.413 0.000 1.246 15 Q CA -0.009 55.629 55.803 -0.274 0.000 0.895 15 Q CB -0.255 28.402 28.738 -0.135 0.000 1.510 15 Q HN 0.709 8.979 8.270 -0.000 0.000 0.503 16 L N 1.773 122.684 121.223 -0.521 0.000 2.141 16 L HA -0.008 4.328 4.340 -0.006 0.000 0.209 16 L C 1.020 177.673 176.870 -0.361 0.000 1.094 16 L CA 0.668 55.190 54.840 -0.530 0.000 0.763 16 L CB 0.021 41.759 42.059 -0.535 0.000 0.908 16 L HN 0.590 8.820 8.230 -0.000 0.000 0.437 17 S N -2.290 113.168 115.700 -0.402 0.000 2.683 17 S HA 0.057 4.523 4.470 -0.006 0.000 0.269 17 S C -0.187 174.262 174.600 -0.252 0.000 1.165 17 S CA -0.218 57.839 58.200 -0.238 0.000 0.840 17 S CB 0.537 63.649 63.200 -0.147 0.000 1.169 17 S HN 0.335 8.645 8.310 -0.000 0.000 0.490 18 D N 1.088 121.411 120.400 -0.128 0.000 2.170 18 D HA -0.189 4.447 4.640 -0.006 0.000 0.193 18 D C 0.647 176.899 176.300 -0.080 0.000 1.004 18 D CA 1.578 55.529 54.000 -0.081 0.000 0.860 18 D CB -0.160 40.613 40.800 -0.045 0.000 0.931 18 D HN 0.552 8.922 8.370 -0.000 0.000 0.448 19 K N -0.186 120.151 120.400 -0.104 0.000 2.501 19 K HA 0.311 4.627 4.320 -0.006 0.000 0.204 19 K C -0.527 176.031 176.600 -0.070 0.000 1.067 19 K CA -0.149 56.112 56.287 -0.044 0.000 1.060 19 K CB 2.243 34.726 32.500 -0.028 0.000 0.873 19 K HN -0.027 8.223 8.250 -0.000 0.000 0.540 20 V N 0.833 120.591 119.914 -0.260 0.000 2.735 20 V HA 0.490 4.606 4.120 -0.006 0.000 0.310 20 V C -1.120 174.632 176.094 -0.570 0.000 1.061 20 V CA -1.005 61.146 62.300 -0.249 0.000 0.913 20 V CB 1.099 32.815 31.823 -0.179 0.000 1.005 20 V HN 0.034 8.224 8.190 -0.000 0.000 0.428 21 Y N 0.247 120.505 120.300 -0.070 0.000 2.524 21 Y HA 0.666 5.212 4.550 -0.006 0.000 0.347 21 Y C 0.279 176.116 175.900 -0.105 0.000 1.005 21 Y CA -0.702 57.355 58.100 -0.072 0.000 1.025 21 Y CB 2.690 41.168 38.460 0.030 0.000 1.275 21 Y HN 0.584 8.864 8.280 -0.000 0.000 0.460 22 T N 2.880 117.434 114.554 -0.001 0.000 2.807 22 T HA 0.443 4.789 4.350 -0.006 0.000 0.279 22 T C -1.307 173.402 174.700 0.014 0.000 0.993 22 T CA -0.697 61.359 62.100 -0.075 0.000 0.970 22 T CB 0.379 69.137 68.868 -0.184 0.000 0.950 22 T HN 0.472 8.712 8.240 -0.000 0.000 0.441 23 Y N 0.698 120.930 120.300 -0.114 0.000 2.487 23 Y HA 0.854 5.401 4.550 -0.005 0.000 0.337 23 Y C -1.284 174.554 175.900 -0.103 0.000 1.076 23 Y CA -1.517 56.504 58.100 -0.132 0.000 1.115 23 Y CB 1.088 39.456 38.460 -0.153 0.000 1.235 23 Y HN 0.332 8.612 8.280 -0.000 0.000 0.468 24 V N 3.176 123.127 119.914 0.062 0.000 2.482 24 V HA 0.324 4.440 4.120 -0.006 0.000 0.295 24 V C -0.679 175.458 176.094 0.072 0.000 1.026 24 V CA -0.619 61.664 62.300 -0.028 0.000 0.856 24 V CB 1.540 33.347 31.823 -0.027 0.000 1.001 24 V HN 0.907 9.097 8.190 -0.000 0.000 0.424 25 S N 6.177 121.924 115.700 0.078 0.000 2.422 25 S HA 0.609 5.075 4.470 -0.006 0.000 0.298 25 S C -0.379 174.255 174.600 0.057 0.000 1.118 25 S CA -0.499 57.768 58.200 0.111 0.000 1.083 25 S CB 0.138 63.447 63.200 0.183 0.000 0.971 25 S HN 0.546 8.856 8.310 -0.000 0.000 0.478 26 L N 4.372 125.620 121.223 0.042 0.000 2.290 26 L HA 0.741 5.078 4.340 -0.006 0.000 0.284 26 L C 0.296 177.192 176.870 0.044 0.000 1.078 26 L CA -0.427 54.437 54.840 0.040 0.000 0.815 26 L CB 0.888 42.962 42.059 0.026 0.000 1.162 26 L HN 0.731 8.961 8.230 -0.000 0.000 0.435 27 A N 3.479 126.332 122.820 0.055 0.000 2.601 27 A HA 0.626 4.943 4.320 -0.006 0.000 0.291 27 A C -1.310 176.311 177.584 0.062 0.000 1.075 27 A CA -0.711 51.358 52.037 0.053 0.000 0.671 27 A CB 1.560 20.595 19.000 0.059 0.000 1.277 27 A HN 0.697 8.847 8.150 -0.000 0.000 0.417 28 E N 1.341 121.577 120.200 0.061 0.000 2.437 28 E HA 0.375 4.721 4.350 -0.006 0.000 0.238 28 E C -0.876 175.776 176.600 0.088 0.000 0.969 28 E CA -0.311 56.135 56.400 0.077 0.000 0.759 28 E CB 1.241 30.983 29.700 0.070 0.000 1.283 28 E HN 0.560 8.920 8.360 -0.000 0.000 0.416 29 I N 2.380 123.002 120.570 0.085 0.000 2.880 29 I HA -0.130 4.036 4.170 -0.006 0.000 0.296 29 I C 0.769 177.000 176.117 0.190 0.000 1.220 29 I CA 0.846 62.192 61.300 0.078 0.000 1.435 29 I CB 0.297 38.273 38.000 -0.041 0.000 1.339 29 I HN 0.369 8.579 8.210 -0.000 0.000 0.583 30 E N 4.120 124.444 120.200 0.206 0.000 2.283 30 E HA 0.392 4.739 4.350 -0.006 0.000 0.278 30 E C 0.788 177.594 176.600 0.344 0.000 1.027 30 E CA 0.218 56.751 56.400 0.221 0.000 0.843 30 E CB 1.208 30.985 29.700 0.129 0.000 1.062 30 E HN 0.902 9.262 8.360 -0.000 0.000 0.401 31 G N 2.255 111.138 108.800 0.137 0.000 2.176 31 G HA2 -0.232 3.724 3.960 -0.006 0.000 0.232 31 G HA3 -0.232 3.724 3.960 -0.006 0.000 0.232 31 G C 0.022 174.589 174.900 -0.555 0.000 0.986 31 G CA 0.022 45.021 45.100 -0.168 0.000 0.643 31 G HN 0.694 8.984 8.290 -0.000 0.000 0.522 32 W N -0.342 120.952 121.300 -0.009 0.000 1.952 32 W HA 0.501 5.157 4.660 -0.006 0.000 0.236 32 W C 1.468 177.983 176.519 -0.007 0.000 0.880 32 W CA 0.598 57.935 57.345 -0.014 0.000 1.095 32 W CB -0.005 29.438 29.460 -0.029 0.000 0.933 32 W HN 1.300 9.480 8.180 -0.000 0.000 0.553 33 G N 1.954 110.876 108.800 0.203 0.000 2.598 33 G HA2 -0.299 3.658 3.960 -0.006 0.000 0.244 33 G HA3 -0.299 3.658 3.960 -0.006 0.000 0.244 33 G C -0.199 174.776 174.900 0.125 0.000 1.302 33 G CA -0.189 44.987 45.100 0.126 0.000 0.903 33 G HN 0.055 8.345 8.290 -0.000 0.000 0.575 34 M N 0.119 119.773 119.600 0.089 0.000 2.260 34 M HA 0.503 4.979 4.480 -0.006 0.000 0.348 34 M C -0.033 176.321 176.300 0.089 0.000 1.342 34 M CA 0.349 55.695 55.300 0.077 0.000 1.040 34 M CB 0.300 32.935 32.600 0.058 0.000 1.810 34 M HN 0.963 9.253 8.290 -0.000 0.000 0.453 35 V N 8.386 128.355 119.914 0.091 0.000 2.668 35 V HA 0.517 4.633 4.120 -0.006 0.000 0.304 35 V C -2.505 173.668 176.094 0.131 0.000 1.071 35 V CA -1.253 61.112 62.300 0.109 0.000 0.894 35 V CB 2.286 34.156 31.823 0.077 0.000 1.008 35 V HN 0.787 8.977 8.190 -0.000 0.000 0.425 36 P HA 0.439 4.859 4.420 -0.000 0.000 0.297 36 P C -0.721 176.584 177.300 0.009 0.000 1.342 36 P CA -0.305 62.840 63.100 0.075 0.000 0.801 36 P CB 1.105 32.836 31.700 0.053 0.000 0.920 37 S N 3.278 118.923 115.700 -0.092 0.000 2.433 37 S HA 0.384 4.850 4.470 -0.006 0.000 0.310 37 S C 0.100 174.481 174.600 -0.365 0.000 1.097 37 S CA -0.540 57.460 58.200 -0.332 0.000 1.103 37 S CB 0.139 63.265 63.200 -0.123 0.000 0.992 37 S HN 0.313 8.623 8.310 -0.000 0.000 0.469 38 N N 1.576 120.010 118.700 -0.445 0.000 2.381 38 N HA 0.718 5.454 4.740 -0.006 0.000 0.254 38 N C 0.345 175.414 175.510 -0.735 0.000 1.264 38 N CA -0.276 52.488 53.050 -0.476 0.000 0.942 38 N CB 0.676 39.046 38.487 -0.195 0.000 1.190 38 N HN 0.770 9.149 8.380 -0.000 0.000 0.495 39 G N -1.184 106.983 108.800 -1.055 0.000 2.489 39 G HA2 0.449 4.405 3.960 -0.006 0.000 0.291 39 G HA3 0.449 4.405 3.960 -0.006 0.000 0.291 39 G C -1.445 173.049 174.900 -0.677 0.000 1.487 39 G CA -0.664 43.765 45.100 -1.118 0.000 0.795 39 G HN 0.251 8.541 8.290 -0.000 0.000 0.513 40 M N 0.581 119.883 119.600 -0.498 0.000 2.528 40 M HA 0.569 5.045 4.480 -0.006 0.000 0.321 40 M C -0.812 175.504 176.300 0.026 0.000 1.153 40 M CA -0.655 54.508 55.300 -0.229 0.000 0.951 40 M CB 2.178 34.556 32.600 -0.370 0.000 1.705 40 M HN 0.351 8.641 8.290 -0.000 0.000 0.451 41 I N 2.358 122.999 120.570 0.118 0.000 2.410 41 I HA 0.420 4.586 4.170 -0.006 0.000 0.286 41 I C -0.882 175.336 176.117 0.167 0.000 1.009 41 I CA -0.783 60.611 61.300 0.157 0.000 1.111 41 I CB 1.921 40.038 38.000 0.195 0.000 1.262 41 I HN 0.288 8.498 8.210 -0.000 0.000 0.443 42 V N 7.597 127.571 119.914 0.101 0.000 2.417 42 V HA 0.490 4.606 4.120 -0.006 0.000 0.291 42 V C -0.277 175.861 176.094 0.073 0.000 1.024 42 V CA -0.527 61.819 62.300 0.078 0.000 0.861 42 V CB 2.129 33.960 31.823 0.013 0.000 0.985 42 V HN 0.460 8.650 8.190 -0.000 0.000 0.436 43 I N 4.604 125.224 120.570 0.084 0.000 2.436 43 I HA 0.447 4.614 4.170 -0.006 0.000 0.289 43 I C -0.168 175.941 176.117 -0.013 0.000 1.010 43 I CA 0.072 61.391 61.300 0.032 0.000 1.098 43 I CB 1.569 39.584 38.000 0.026 0.000 1.266 43 I HN 0.681 8.891 8.210 -0.000 0.000 0.434 44 N N 5.473 124.152 118.700 -0.034 0.000 2.519 44 N HA 0.262 4.998 4.740 -0.006 0.000 0.286 44 N C -1.008 174.460 175.510 -0.069 0.000 1.079 44 N CA -0.450 52.567 53.050 -0.055 0.000 0.878 44 N CB 0.827 39.289 38.487 -0.041 0.000 1.375 44 N HN 0.621 9.001 8.380 -0.000 0.000 0.514 45 N N 3.451 122.070 118.700 -0.134 0.000 2.641 45 N HA -0.199 4.537 4.740 -0.006 0.000 0.267 45 N C -0.611 174.856 175.510 -0.070 0.000 1.087 45 N CA 1.032 53.994 53.050 -0.147 0.000 0.731 45 N CB -1.173 37.316 38.487 0.004 0.000 0.886 45 N HN 0.706 9.086 8.380 -0.000 0.000 0.547 46 H N -2.800 116.281 119.070 0.019 0.000 2.861 46 H HA -0.230 4.323 4.556 -0.005 0.000 0.289 46 H C -0.510 174.827 175.328 0.014 0.000 1.176 46 H CA 1.377 57.436 56.048 0.018 0.000 1.146 46 H CB -1.683 28.085 29.762 0.009 0.000 1.330 46 H HN 0.675 8.955 8.280 -0.000 0.000 0.379 47 Q N -0.229 119.587 119.800 0.026 0.000 2.321 47 Q HA 0.762 5.098 4.340 -0.006 0.000 0.270 47 Q C -0.534 175.476 176.000 0.015 0.000 1.032 47 Q CA -0.319 55.502 55.803 0.030 0.000 0.784 47 Q CB 2.941 31.695 28.738 0.027 0.000 1.264 47 Q HN 0.368 8.638 8.270 -0.000 0.000 0.448 48 A N 1.552 124.392 122.820 0.034 0.000 2.331 48 A HA 0.854 5.170 4.320 -0.006 0.000 0.320 48 A C -0.973 176.654 177.584 0.071 0.000 1.138 48 A CA -0.500 51.563 52.037 0.043 0.000 0.790 48 A CB 1.270 20.294 19.000 0.041 0.000 1.206 48 A HN 0.709 8.859 8.150 -0.000 0.000 0.470 49 A N 1.969 124.831 122.820 0.071 0.000 2.330 49 A HA 0.723 5.039 4.320 -0.006 0.000 0.327 49 A C -0.759 176.889 177.584 0.107 0.000 1.155 49 A CA -0.464 51.629 52.037 0.092 0.000 0.803 49 A CB 0.758 19.786 19.000 0.046 0.000 1.208 49 A HN 1.975 10.125 8.150 -0.000 0.000 0.477 50 L N 2.927 124.251 121.223 0.168 0.000 2.404 50 L HA 0.635 4.972 4.340 -0.006 0.000 0.272 50 L C -1.446 175.464 176.870 0.066 0.000 0.980 50 L CA -0.435 54.502 54.840 0.162 0.000 0.836 50 L CB 1.303 43.494 42.059 0.221 0.000 1.238 50 L HN 0.569 8.799 8.230 -0.000 0.000 0.408 51 L N 4.484 125.654 121.223 -0.089 0.000 2.315 51 L HA 0.391 4.727 4.340 -0.006 0.000 0.283 51 L C -0.430 176.293 176.870 -0.244 0.000 1.089 51 L CA -0.323 54.362 54.840 -0.258 0.000 0.833 51 L CB 0.066 41.897 42.059 -0.381 0.000 1.170 51 L HN 0.772 9.002 8.230 -0.000 0.000 0.442 52 D N 0.760 121.014 120.400 -0.244 0.000 10.791 52 D HA -0.141 4.495 4.640 -0.006 0.000 0.339 52 D C -0.059 176.461 176.300 0.367 0.000 3.085 52 D CA 1.305 55.326 54.000 0.035 0.000 2.681 52 D CB 0.292 41.151 40.800 0.098 0.000 1.164 52 D HN 0.831 9.201 8.370 -0.000 0.000 0.922 53 T N -0.545 114.321 114.554 0.520 0.000 2.952 53 T HA 0.814 5.160 4.350 -0.006 0.000 0.286 53 T C -2.579 172.325 174.700 0.339 0.000 1.024 53 T CA -1.802 60.570 62.100 0.453 0.000 1.029 53 T CB 2.145 71.198 68.868 0.308 0.000 1.094 53 T HN 0.041 8.281 8.240 -0.000 0.000 0.515 54 P HA 0.154 4.574 4.420 -0.000 0.000 0.278 54 P C 1.125 178.507 177.300 0.136 0.000 1.270 54 P CA -0.593 62.634 63.100 0.212 0.000 0.800 54 P CB 0.376 32.149 31.700 0.121 0.000 1.142 55 I N -0.961 119.670 120.570 0.101 0.000 2.614 55 I HA -0.120 4.046 4.170 -0.006 0.000 0.258 55 I C -0.289 175.867 176.117 0.064 0.000 1.189 55 I CA 1.226 62.573 61.300 0.078 0.000 1.462 55 I CB -0.244 37.795 38.000 0.065 0.000 1.092 55 I HN 0.404 8.614 8.210 -0.000 0.000 0.442 56 N N -1.012 117.717 118.700 0.049 0.000 2.846 56 N HA 0.005 4.742 4.740 -0.006 0.000 0.248 56 N C -0.115 175.400 175.510 0.008 0.000 1.097 56 N CA -0.581 52.490 53.050 0.035 0.000 1.013 56 N CB 0.327 38.834 38.487 0.032 0.000 1.686 56 N HN -0.136 8.244 8.380 -0.000 0.000 0.520 57 D N 1.030 121.442 120.400 0.020 0.000 2.585 57 D HA -0.328 4.309 4.640 -0.006 0.000 0.190 57 D C 1.474 177.712 176.300 -0.103 0.000 1.057 57 D CA 2.712 56.718 54.000 0.010 0.000 0.900 57 D CB -0.056 40.784 40.800 0.067 0.000 0.900 57 D HN 0.757 9.127 8.370 -0.000 0.000 0.463 58 A N 0.453 123.228 122.820 -0.077 0.000 1.929 58 A HA -0.178 4.139 4.320 -0.006 0.000 0.216 58 A C 2.176 179.673 177.584 -0.144 0.000 1.176 58 A CA 1.180 53.148 52.037 -0.115 0.000 0.628 58 A CB -0.290 18.673 19.000 -0.061 0.000 0.816 58 A HN 0.269 8.419 8.150 -0.000 0.000 0.444 59 Q N -0.660 119.078 119.800 -0.103 0.000 2.096 59 Q HA -0.095 4.241 4.340 -0.006 0.000 0.197 59 Q C 2.187 178.090 176.000 -0.162 0.000 0.964 59 Q CA 1.775 57.514 55.803 -0.107 0.000 0.838 59 Q CB -0.435 28.271 28.738 -0.053 0.000 0.906 59 Q HN 0.737 9.007 8.270 -0.000 0.000 0.444 60 T N 1.091 115.559 114.554 -0.144 0.000 2.759 60 T HA -0.241 4.105 4.350 -0.006 0.000 0.269 60 T C 1.592 176.114 174.700 -0.297 0.000 1.042 60 T CA 1.580 63.587 62.100 -0.155 0.000 1.140 60 T CB -0.292 68.542 68.868 -0.057 0.000 0.864 60 T HN 0.415 8.655 8.240 -0.000 0.000 0.455 61 E N 2.003 121.916 120.200 -0.479 0.000 2.012 61 E HA -0.274 4.072 4.350 -0.006 0.000 0.211 61 E C 2.330 178.668 176.600 -0.436 0.000 1.029 61 E CA 1.956 57.859 56.400 -0.828 0.000 0.867 61 E CB -0.361 28.971 29.700 -0.613 0.000 0.790 61 E HN 0.665 9.025 8.360 -0.000 0.000 0.482 62 M N 0.390 119.835 119.600 -0.258 0.000 2.267 62 M HA -0.101 4.375 4.480 -0.006 0.000 0.263 62 M C 2.163 178.422 176.300 -0.068 0.000 1.063 62 M CA 1.283 56.509 55.300 -0.124 0.000 1.090 62 M CB -0.360 32.188 32.600 -0.087 0.000 1.392 62 M HN 0.319 8.609 8.290 -0.000 0.000 0.422 63 L N 2.333 123.465 121.223 -0.152 0.000 1.955 63 L HA -0.124 4.213 4.340 -0.006 0.000 0.213 63 L C 2.630 179.494 176.870 -0.010 0.000 1.072 63 L CA 2.441 57.183 54.840 -0.164 0.000 0.755 63 L CB -1.448 40.389 42.059 -0.369 0.000 0.888 63 L HN 0.431 8.661 8.230 -0.000 0.000 0.432 64 V N -1.690 118.194 119.914 -0.050 0.000 2.332 64 V HA -0.297 3.819 4.120 -0.006 0.000 0.248 64 V C 2.320 178.448 176.094 0.057 0.000 1.055 64 V CA 2.287 64.613 62.300 0.043 0.000 1.038 64 V CB -1.516 30.378 31.823 0.120 0.000 0.651 64 V HN 0.696 8.886 8.190 -0.000 0.000 0.450 65 N N -0.513 118.195 118.700 0.013 0.000 2.069 65 N HA -0.308 4.428 4.740 -0.006 0.000 0.196 65 N C 1.642 177.176 175.510 0.039 0.000 1.024 65 N CA 2.234 55.294 53.050 0.018 0.000 0.869 65 N CB -0.319 38.153 38.487 -0.025 0.000 1.035 65 N HN 0.809 9.189 8.380 -0.000 0.000 0.434 66 W N 2.013 123.242 121.300 -0.117 0.000 2.381 66 W HA -0.166 4.491 4.660 -0.004 0.000 0.301 66 W C 2.205 178.639 176.519 -0.142 0.000 1.205 66 W CA 1.828 59.097 57.345 -0.127 0.000 1.285 66 W CB -0.557 28.817 29.460 -0.144 0.000 1.133 66 W HN -0.022 8.158 8.180 -0.000 0.000 0.521 67 V N -0.169 119.632 119.914 -0.187 0.000 2.277 67 V HA -0.412 3.704 4.120 -0.006 0.000 0.253 67 V C 1.842 177.618 176.094 -0.531 0.000 1.067 67 V CA 2.932 64.945 62.300 -0.477 0.000 1.047 67 V CB -1.966 29.765 31.823 -0.153 0.000 0.649 67 V HN 0.296 8.486 8.190 -0.000 0.000 0.447 68 T N 0.755 115.127 114.554 -0.303 0.000 2.529 68 T HA -0.253 4.094 4.350 -0.006 0.000 0.261 68 T C 1.588 176.123 174.700 -0.275 0.000 1.110 68 T CA 2.132 64.110 62.100 -0.203 0.000 1.192 68 T CB -0.885 67.922 68.868 -0.101 0.000 0.864 68 T HN 0.581 8.821 8.240 -0.000 0.000 0.407 69 D N 1.007 121.237 120.400 -0.283 0.000 2.172 69 D HA -0.075 4.561 4.640 -0.006 0.000 0.196 69 D C 2.399 178.425 176.300 -0.457 0.000 0.999 69 D CA 1.515 55.365 54.000 -0.251 0.000 0.856 69 D CB -0.272 40.388 40.800 -0.233 0.000 0.934 69 D HN 0.404 8.774 8.370 -0.000 0.000 0.453 70 S N -0.933 114.298 115.700 -0.782 0.000 2.517 70 S HA 0.197 4.664 4.470 -0.006 0.000 0.228 70 S C 1.788 175.793 174.600 -0.992 0.000 1.060 70 S CA -0.021 57.668 58.200 -0.850 0.000 0.937 70 S CB 0.337 62.945 63.200 -0.986 0.000 0.840 70 S HN 0.119 8.430 8.310 -0.000 0.000 0.546 71 L N 1.474 122.088 121.223 -1.014 0.000 2.640 71 L HA 0.297 4.633 4.340 -0.006 0.000 0.230 71 L C -0.805 175.762 176.870 -0.504 0.000 1.123 71 L CA -0.301 54.126 54.840 -0.688 0.000 0.900 71 L CB -0.534 41.188 42.059 -0.561 0.000 1.146 71 L HN 0.387 8.617 8.230 -0.000 0.000 0.484 72 H N -0.506 118.427 119.070 -0.228 0.000 2.458 72 H HA 0.015 4.567 4.556 -0.006 0.000 0.298 72 H C -0.102 175.212 175.328 -0.023 0.000 0.859 72 H CA 0.483 56.469 56.048 -0.103 0.000 0.974 72 H CB -1.292 28.459 29.762 -0.019 0.000 1.584 72 H HN 0.399 8.679 8.280 -0.000 0.000 0.307 73 A N 1.697 124.519 122.820 0.003 0.000 2.609 73 A HA 0.733 5.049 4.320 -0.006 0.000 0.291 73 A C -0.885 176.706 177.584 0.011 0.000 1.096 73 A CA -0.767 51.284 52.037 0.024 0.000 0.684 73 A CB 1.785 20.765 19.000 -0.033 0.000 1.282 73 A HN 0.516 8.666 8.150 -0.000 0.000 0.412 74 K N 0.718 121.139 120.400 0.034 0.000 2.292 74 K HA 0.574 4.891 4.320 -0.006 0.000 0.257 74 K C -1.146 175.481 176.600 0.044 0.000 0.940 74 K CA -0.526 55.781 56.287 0.034 0.000 0.811 74 K CB 1.935 34.457 32.500 0.036 0.000 1.120 74 K HN 0.753 9.003 8.250 -0.000 0.000 0.428 75 V N 5.471 125.417 119.914 0.054 0.000 2.421 75 V HA 0.043 4.159 4.120 -0.006 0.000 0.271 75 V C 0.764 176.904 176.094 0.075 0.000 1.031 75 V CA 0.968 63.315 62.300 0.077 0.000 1.032 75 V CB 0.465 32.348 31.823 0.099 0.000 1.009 75 V HN 1.067 9.257 8.190 -0.000 0.000 0.477 76 T N 1.844 116.452 114.554 0.090 0.000 2.990 76 T HA 0.249 4.595 4.350 -0.006 0.000 0.249 76 T C 0.688 175.473 174.700 0.142 0.000 1.039 76 T CA 0.473 62.628 62.100 0.092 0.000 1.036 76 T CB 0.197 69.112 68.868 0.078 0.000 0.994 76 T HN 0.626 8.866 8.240 -0.000 0.000 0.489 77 T N 1.489 116.155 114.554 0.187 0.000 2.883 77 T HA 0.694 5.040 4.350 -0.006 0.000 0.296 77 T C -2.028 172.902 174.700 0.384 0.000 1.117 77 T CA -0.632 61.644 62.100 0.293 0.000 1.006 77 T CB 2.300 71.316 68.868 0.247 0.000 1.191 77 T HN 0.308 8.548 8.240 -0.000 0.000 0.508 78 F N 1.299 121.398 119.950 0.249 0.000 2.660 78 F HA 0.612 5.136 4.527 -0.006 0.000 0.320 78 F C -2.821 173.137 175.800 0.265 0.000 1.099 78 F CA -1.253 56.868 58.000 0.202 0.000 1.061 78 F CB 0.476 39.562 39.000 0.143 0.000 1.300 78 F HN 0.421 8.721 8.300 -0.000 0.000 0.479 79 I N 8.066 128.437 120.570 -0.331 0.000 2.378 79 I HA 0.568 4.734 4.170 -0.006 0.000 0.291 79 I C -2.481 173.144 176.117 -0.821 0.000 0.992 79 I CA -1.898 59.219 61.300 -0.305 0.000 1.154 79 I CB 2.218 40.190 38.000 -0.047 0.000 1.315 79 I HN 0.347 8.557 8.210 -0.000 0.000 0.448 80 P HA 0.243 4.663 4.420 -0.000 0.000 0.305 80 P C -0.353 176.947 177.300 0.000 0.000 1.378 80 P CA -0.654 62.290 63.100 -0.261 0.000 0.926 80 P CB 1.741 33.502 31.700 0.103 0.000 1.051 81 N N 2.208 120.953 118.700 0.076 0.000 2.289 81 N HA -0.111 4.626 4.740 -0.006 0.000 0.184 81 N C 0.398 176.008 175.510 0.168 0.000 1.016 81 N CA 0.969 54.110 53.050 0.151 0.000 0.872 81 N CB 0.152 38.762 38.487 0.205 0.000 0.973 81 N HN 0.671 9.051 8.380 -0.000 0.000 0.433 82 H N -3.453 115.621 119.070 0.007 0.000 2.863 82 H HA 0.004 4.557 4.556 -0.006 0.000 0.274 82 H C -0.208 175.085 175.328 -0.058 0.000 1.457 82 H CA -0.733 55.261 56.048 -0.090 0.000 1.151 82 H CB -0.659 28.957 29.762 -0.243 0.000 1.844 82 H HN 0.109 8.389 8.280 -0.000 0.000 0.562 83 W N 0.876 122.118 121.300 -0.097 0.000 3.345 83 W HA 0.263 4.919 4.660 -0.007 0.000 0.282 83 W C -0.765 175.730 176.519 -0.040 0.000 1.302 83 W CA -0.379 56.922 57.345 -0.074 0.000 1.724 83 W CB -1.102 28.331 29.460 -0.045 0.000 1.104 83 W HN 0.438 8.618 8.180 -0.000 0.000 0.694 84 H N 0.053 118.617 119.070 -0.843 0.000 2.822 84 H HA 0.105 4.657 4.556 -0.006 0.000 0.373 84 H C 1.884 177.018 175.328 -0.323 0.000 1.223 84 H CA 0.411 55.977 56.048 -0.804 0.000 1.436 84 H CB 1.070 30.510 29.762 -0.537 0.000 1.439 84 H HN 0.065 8.345 8.280 -0.000 0.000 0.618 85 G N 0.465 109.240 108.800 -0.042 0.000 2.471 85 G HA2 -0.233 3.724 3.960 -0.006 0.000 0.219 85 G HA3 -0.233 3.724 3.960 -0.006 0.000 0.219 85 G C 0.972 175.894 174.900 0.037 0.000 1.125 85 G CA 0.901 46.024 45.100 0.039 0.000 0.775 85 G HN 0.862 9.152 8.290 -0.000 0.000 0.548 86 D N -0.649 119.759 120.400 0.013 0.000 2.340 86 D HA 0.023 4.659 4.640 -0.006 0.000 0.220 86 D C 1.680 178.010 176.300 0.049 0.000 1.039 86 D CA 0.107 54.144 54.000 0.062 0.000 0.866 86 D CB -0.275 40.600 40.800 0.124 0.000 0.913 86 D HN 0.324 8.694 8.370 -0.000 0.000 0.523 87 C N 0.426 119.709 119.300 -0.029 0.000 2.563 87 C HA 0.265 4.721 4.460 -0.006 0.000 0.346 87 C C 1.759 176.849 174.990 0.167 0.000 1.334 87 C CA -0.283 58.724 59.018 -0.018 0.000 1.938 87 C CB -0.105 27.446 27.740 -0.315 0.000 2.445 87 C HN 0.466 8.696 8.230 -0.000 0.000 0.541 88 I N -0.967 119.696 120.570 0.155 0.000 3.424 88 I HA 0.480 4.646 4.170 -0.006 0.000 0.339 88 I C 1.337 177.548 176.117 0.158 0.000 1.549 88 I CA 0.053 61.497 61.300 0.239 0.000 1.049 88 I CB -0.544 37.590 38.000 0.224 0.000 1.439 88 I HN 0.079 8.289 8.210 -0.000 0.000 0.500 89 G N 2.004 110.887 108.800 0.140 0.000 2.679 89 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.217 89 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.217 89 G C 1.128 176.073 174.900 0.074 0.000 1.267 89 G CA 0.910 46.070 45.100 0.101 0.000 0.799 89 G HN 0.616 8.906 8.290 -0.000 0.000 0.606 90 G N -0.349 108.485 108.800 0.056 0.000 4.178 90 G HA2 0.386 4.342 3.960 -0.006 0.000 0.287 90 G HA3 0.386 4.342 3.960 -0.006 0.000 0.287 90 G C 0.959 175.834 174.900 -0.042 0.000 1.293 90 G CA -0.346 44.777 45.100 0.038 0.000 1.393 90 G HN 0.284 8.574 8.290 -0.000 0.000 0.623 91 L N 1.249 122.432 121.223 -0.065 0.000 2.079 91 L HA 0.044 4.381 4.340 -0.006 0.000 0.210 91 L C 2.626 179.410 176.870 -0.142 0.000 1.081 91 L CA 2.407 57.141 54.840 -0.177 0.000 0.752 91 L CB -0.566 41.449 42.059 -0.072 0.000 0.896 91 L HN 0.291 8.521 8.230 -0.000 0.000 0.433 92 G N -1.654 107.111 108.800 -0.059 0.000 2.459 92 G HA2 -0.410 3.546 3.960 -0.006 0.000 0.217 92 G HA3 -0.410 3.546 3.960 -0.006 0.000 0.217 92 G C 1.603 176.462 174.900 -0.067 0.000 1.183 92 G CA 1.066 46.137 45.100 -0.048 0.000 0.776 92 G HN 0.514 8.804 8.290 -0.000 0.000 0.552 93 Y N 1.464 121.712 120.300 -0.086 0.000 2.165 93 Y HA -0.109 4.438 4.550 -0.005 0.000 0.286 93 Y C 2.492 178.332 175.900 -0.100 0.000 1.155 93 Y CA 1.711 59.763 58.100 -0.080 0.000 1.164 93 Y CB -0.190 38.229 38.460 -0.069 0.000 0.978 93 Y HN 0.141 8.421 8.280 -0.000 0.000 0.513 94 L N -0.176 120.905 121.223 -0.237 0.000 2.478 94 L HA -0.101 4.235 4.340 -0.006 0.000 0.223 94 L C 2.245 178.950 176.870 -0.276 0.000 1.140 94 L CA 0.529 55.191 54.840 -0.296 0.000 0.842 94 L CB -0.586 41.320 42.059 -0.256 0.000 0.953 94 L HN 0.265 8.495 8.230 -0.000 0.000 0.452 95 Q N 1.040 120.693 119.800 -0.244 0.000 2.079 95 Q HA -0.116 4.220 4.340 -0.006 0.000 0.200 95 Q C 1.375 177.264 176.000 -0.184 0.000 0.974 95 Q CA 1.248 56.944 55.803 -0.178 0.000 0.840 95 Q CB -0.014 28.642 28.738 -0.137 0.000 0.898 95 Q HN 0.494 8.764 8.270 -0.000 0.000 0.430 96 R N 0.418 120.776 120.500 -0.237 0.000 2.547 96 R HA 0.093 4.429 4.340 -0.006 0.000 0.258 96 R C 0.837 176.987 176.300 -0.249 0.000 1.115 96 R CA 0.205 56.182 56.100 -0.205 0.000 1.152 96 R CB 0.307 30.508 30.300 -0.165 0.000 1.221 96 R HN -0.080 8.190 8.270 -0.000 0.000 0.539 97 K N -0.319 119.917 120.400 -0.274 0.000 2.440 97 K HA 0.189 4.505 4.320 -0.006 0.000 0.207 97 K C 0.344 176.867 176.600 -0.128 0.000 1.112 97 K CA 0.445 56.597 56.287 -0.225 0.000 1.036 97 K CB 1.204 33.535 32.500 -0.282 0.000 0.935 97 K HN 0.303 8.553 8.250 -0.000 0.000 0.564 98 G N 2.460 111.178 108.800 -0.136 0.000 2.331 98 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.254 98 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.254 98 G C -0.175 174.692 174.900 -0.054 0.000 0.879 98 G CA 0.180 45.229 45.100 -0.086 0.000 1.287 98 G HN 0.015 8.305 8.290 -0.000 0.000 0.383 99 V N 3.165 123.041 119.914 -0.062 0.000 2.435 99 V HA 0.368 4.485 4.120 -0.006 0.000 0.290 99 V C 0.442 176.558 176.094 0.035 0.000 1.030 99 V CA -1.170 61.129 62.300 -0.001 0.000 0.881 99 V CB 1.911 33.742 31.823 0.013 0.000 0.983 99 V HN 0.600 8.790 8.190 -0.000 0.000 0.445 100 Q N 2.532 122.393 119.800 0.102 0.000 2.257 100 Q HA 0.162 4.498 4.340 -0.006 0.000 0.273 100 Q C 0.120 176.199 176.000 0.131 0.000 1.153 100 Q CA 0.426 56.302 55.803 0.121 0.000 0.922 100 Q CB 0.588 29.423 28.738 0.162 0.000 1.242 100 Q HN 0.727 8.997 8.270 -0.000 0.000 0.409 101 S N 4.361 120.085 115.700 0.041 0.000 2.415 101 S HA 0.392 4.858 4.470 -0.006 0.000 0.313 101 S C -0.760 173.941 174.600 0.169 0.000 1.067 101 S CA -0.475 57.832 58.200 0.179 0.000 1.099 101 S CB 0.023 63.283 63.200 0.101 0.000 0.991 101 S HN 0.270 8.580 8.310 -0.000 0.000 0.491 102 Y N 1.230 121.786 120.300 0.428 0.000 2.457 102 Y HA 0.801 5.347 4.550 -0.007 0.000 0.333 102 Y C 0.330 176.406 175.900 0.293 0.000 1.119 102 Y CA -1.191 57.143 58.100 0.390 0.000 1.143 102 Y CB 1.260 39.908 38.460 0.314 0.000 1.230 102 Y HN 0.681 8.961 8.280 -0.000 0.000 0.469 103 A N 1.578 124.674 122.820 0.460 0.000 2.592 103 A HA 0.320 4.636 4.320 -0.006 0.000 0.300 103 A C -1.289 176.154 177.584 -0.234 0.000 0.994 103 A CA -1.157 51.018 52.037 0.230 0.000 0.707 103 A CB 0.332 19.423 19.000 0.151 0.000 1.273 103 A HN 0.816 8.966 8.150 -0.000 0.000 0.413 104 N N 0.935 119.099 118.700 -0.893 0.000 2.223 104 N HA -0.043 4.693 4.740 -0.006 0.000 0.271 104 N C 1.003 176.156 175.510 -0.595 0.000 1.315 104 N CA 0.981 53.212 53.050 -1.364 0.000 0.835 104 N CB 0.799 38.742 38.487 -0.908 0.000 1.066 104 N HN 0.744 9.124 8.380 -0.000 0.000 0.486 105 Q N 3.958 123.472 119.800 -0.477 0.000 2.325 105 Q HA -0.195 4.141 4.340 -0.006 0.000 0.211 105 Q C 1.308 177.171 176.000 -0.228 0.000 0.988 105 Q CA 1.852 57.511 55.803 -0.239 0.000 0.887 105 Q CB -0.071 28.571 28.738 -0.160 0.000 0.915 105 Q HN 0.865 9.135 8.270 -0.000 0.000 0.440 106 M N -1.659 117.748 119.600 -0.322 0.000 2.319 106 M HA -0.085 4.391 4.480 -0.006 0.000 0.265 106 M C 1.587 177.783 176.300 -0.173 0.000 1.068 106 M CA 1.648 56.790 55.300 -0.263 0.000 1.118 106 M CB -0.183 32.204 32.600 -0.354 0.000 1.395 106 M HN 0.089 8.379 8.290 -0.000 0.000 0.435 107 T N 0.993 115.453 114.554 -0.156 0.000 2.942 107 T HA 0.074 4.420 4.350 -0.006 0.000 0.265 107 T C 1.826 176.506 174.700 -0.035 0.000 1.062 107 T CA 0.782 62.863 62.100 -0.031 0.000 1.139 107 T CB -0.103 68.779 68.868 0.023 0.000 0.883 107 T HN 0.280 8.520 8.240 -0.000 0.000 0.468 108 I N 1.717 122.242 120.570 -0.075 0.000 2.179 108 I HA -0.187 3.979 4.170 -0.006 0.000 0.242 108 I C 2.160 178.228 176.117 -0.082 0.000 1.088 108 I CA 1.250 62.514 61.300 -0.061 0.000 1.357 108 I CB -0.306 37.655 38.000 -0.066 0.000 1.051 108 I HN 0.128 8.338 8.210 -0.000 0.000 0.409 109 D N 0.530 120.868 120.400 -0.104 0.000 2.178 109 D HA -0.146 4.490 4.640 -0.006 0.000 0.201 109 D C 2.023 178.229 176.300 -0.156 0.000 0.980 109 D CA 1.069 55.001 54.000 -0.115 0.000 0.842 109 D CB -0.158 40.575 40.800 -0.113 0.000 0.948 109 D HN 0.169 8.539 8.370 -0.000 0.000 0.472 110 L N 0.290 121.392 121.223 -0.201 0.000 2.240 110 L HA 0.118 4.454 4.340 -0.006 0.000 0.211 110 L C 2.209 178.864 176.870 -0.359 0.000 1.106 110 L CA 0.718 55.340 54.840 -0.363 0.000 0.793 110 L CB -1.070 40.672 42.059 -0.528 0.000 0.927 110 L HN -0.052 8.178 8.230 -0.000 0.000 0.446 111 A N -1.516 121.194 122.820 -0.182 0.000 2.030 111 A HA -0.087 4.230 4.320 -0.006 0.000 0.215 111 A C 2.319 179.848 177.584 -0.091 0.000 1.164 111 A CA 0.581 52.560 52.037 -0.097 0.000 0.697 111 A CB -0.177 18.828 19.000 0.009 0.000 0.827 111 A HN 0.259 8.409 8.150 -0.000 0.000 0.457 112 K N -0.310 120.032 120.400 -0.097 0.000 2.296 112 K HA -0.068 4.249 4.320 -0.006 0.000 0.200 112 K C 1.830 178.374 176.600 -0.094 0.000 1.048 112 K CA 1.236 57.474 56.287 -0.080 0.000 0.966 112 K CB 0.061 32.516 32.500 -0.074 0.000 0.754 112 K HN 0.660 8.910 8.250 -0.000 0.000 0.466 113 E N 0.448 120.568 120.200 -0.133 0.000 2.099 113 E HA -0.132 4.215 4.350 -0.006 0.000 0.191 113 E C 1.526 178.043 176.600 -0.138 0.000 0.962 113 E CA 0.671 56.990 56.400 -0.136 0.000 0.826 113 E CB 0.191 29.792 29.700 -0.165 0.000 0.788 113 E HN -0.021 8.339 8.360 -0.000 0.000 0.461 114 K N -0.077 120.212 120.400 -0.185 0.000 2.525 114 K HA 0.070 4.386 4.320 -0.006 0.000 0.192 114 K C 0.344 176.895 176.600 -0.081 0.000 1.029 114 K CA 0.917 57.112 56.287 -0.154 0.000 1.029 114 K CB 0.181 32.538 32.500 -0.237 0.000 0.814 114 K HN 0.258 8.508 8.250 -0.000 0.000 0.503 115 G N 0.847 109.605 108.800 -0.070 0.000 2.255 115 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.239 115 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.239 115 G C -0.579 174.310 174.900 -0.019 0.000 1.083 115 G CA 0.198 45.275 45.100 -0.038 0.000 0.826 115 G HN 0.189 8.479 8.290 -0.000 0.000 0.493 116 L N -0.159 121.052 121.223 -0.020 0.000 2.298 116 L HA 0.750 5.086 4.340 -0.006 0.000 0.268 116 L C -1.446 175.427 176.870 0.006 0.000 1.010 116 L CA -2.731 52.115 54.840 0.010 0.000 0.812 116 L CB 0.858 42.940 42.059 0.038 0.000 1.331 116 L HN -0.033 8.197 8.230 -0.000 0.000 0.450 117 P HA 0.005 4.425 4.420 -0.000 0.000 0.267 117 P C -1.135 176.168 177.300 0.004 0.000 1.195 117 P CA 0.073 63.175 63.100 0.004 0.000 0.773 117 P CB 0.557 32.266 31.700 0.015 0.000 0.837 118 V N 2.788 122.691 119.914 -0.018 0.000 2.638 118 V HA 0.318 4.434 4.120 -0.006 0.000 0.306 118 V C -2.385 173.690 176.094 -0.032 0.000 1.052 118 V CA -2.137 60.150 62.300 -0.022 0.000 0.885 118 V CB 1.742 33.539 31.823 -0.043 0.000 0.999 118 V HN 0.457 8.647 8.190 -0.000 0.000 0.424 119 P HA 0.220 4.640 4.420 -0.000 0.000 0.271 119 P C 0.595 177.818 177.300 -0.128 0.000 1.216 119 P CA -0.084 63.014 63.100 -0.004 0.000 0.771 119 P CB 0.950 32.693 31.700 0.071 0.000 0.864 120 E N 1.832 121.862 120.200 -0.283 0.000 2.007 120 E HA -0.156 4.190 4.350 -0.006 0.000 0.203 120 E C 0.484 176.748 176.600 -0.560 0.000 1.020 120 E CA 1.602 57.653 56.400 -0.582 0.000 0.845 120 E CB -0.692 28.228 29.700 -1.299 0.000 0.779 120 E HN 0.581 8.941 8.360 -0.000 0.000 0.466 121 H N 0.118 119.119 119.070 -0.115 0.000 2.782 121 H HA 0.452 5.004 4.556 -0.007 0.000 0.285 121 H C 0.543 175.938 175.328 0.111 0.000 1.093 121 H CA 0.060 56.106 56.048 -0.004 0.000 1.410 121 H CB 0.184 29.940 29.762 -0.011 0.000 1.439 121 H HN 0.055 8.335 8.280 -0.000 0.000 0.469 122 G N 2.726 111.614 108.800 0.148 0.000 2.476 122 G HA2 0.437 4.393 3.960 -0.006 0.000 0.286 122 G HA3 0.437 4.393 3.960 -0.006 0.000 0.286 122 G C -0.858 174.169 174.900 0.211 0.000 1.177 122 G CA -0.519 44.630 45.100 0.082 0.000 0.870 122 G HN 0.545 8.835 8.290 -0.000 0.000 0.528 123 F N -0.778 119.223 119.950 0.086 0.000 2.591 123 F HA 0.603 5.126 4.527 -0.007 0.000 0.309 123 F C 0.722 176.551 175.800 0.049 0.000 1.098 123 F CA -0.650 57.397 58.000 0.078 0.000 0.937 123 F CB 1.067 40.123 39.000 0.093 0.000 1.250 123 F HN 0.559 8.858 8.300 -0.000 0.000 0.447 124 T N -1.102 113.645 114.554 0.322 0.000 2.818 124 T HA 0.122 4.468 4.350 -0.006 0.000 0.246 124 T C 0.488 175.407 174.700 0.365 0.000 1.036 124 T CA 1.698 63.923 62.100 0.209 0.000 1.160 124 T CB -0.178 68.782 68.868 0.154 0.000 0.869 124 T HN 0.578 8.818 8.240 -0.000 0.000 0.419 125 D N 0.801 121.430 120.400 0.382 0.000 3.161 125 D HA 0.339 4.975 4.640 -0.006 0.000 0.287 125 D C 1.153 177.618 176.300 0.275 0.000 1.343 125 D CA 0.334 54.550 54.000 0.360 0.000 1.070 125 D CB 0.095 41.037 40.800 0.238 0.000 1.188 125 D HN 0.347 8.717 8.370 -0.000 0.000 0.409 126 S N -0.391 115.337 115.700 0.047 0.000 2.677 126 S HA 0.723 5.189 4.470 -0.006 0.000 0.290 126 S C -0.662 173.574 174.600 -0.607 0.000 1.124 126 S CA -0.568 57.459 58.200 -0.289 0.000 1.017 126 S CB 1.662 64.725 63.200 -0.227 0.000 1.215 126 S HN 0.158 8.468 8.310 -0.000 0.000 0.524 127 L N 1.263 122.094 121.223 -0.653 0.000 3.390 127 L HA 0.209 4.545 4.340 -0.006 0.000 0.223 127 L C -1.275 175.330 176.870 -0.441 0.000 0.985 127 L CA 0.185 54.666 54.840 -0.598 0.000 1.289 127 L CB 0.311 41.859 42.059 -0.851 0.000 1.682 127 L HN 0.652 8.882 8.230 -0.000 0.000 0.675 128 T N 2.662 117.044 114.554 -0.287 0.000 2.729 128 T HA 0.509 4.856 4.350 -0.006 0.000 0.296 128 T C -0.033 174.522 174.700 -0.242 0.000 0.928 128 T CA -0.194 61.771 62.100 -0.225 0.000 1.045 128 T CB 1.153 69.941 68.868 -0.134 0.000 0.902 128 T HN 0.196 8.436 8.240 -0.000 0.000 0.500 129 V N 3.870 123.616 119.914 -0.281 0.000 2.328 129 V HA 0.392 4.508 4.120 -0.006 0.000 0.278 129 V C 0.443 176.415 176.094 -0.204 0.000 1.021 129 V CA -0.649 61.450 62.300 -0.335 0.000 0.838 129 V CB 1.468 33.014 31.823 -0.461 0.000 0.999 129 V HN 0.907 9.097 8.190 -0.000 0.000 0.447 130 S N 5.269 120.881 115.700 -0.147 0.000 2.499 130 S HA 0.640 5.106 4.470 -0.006 0.000 0.279 130 S C -0.762 173.796 174.600 -0.070 0.000 1.219 130 S CA -0.504 57.640 58.200 -0.093 0.000 1.062 130 S CB 0.886 64.046 63.200 -0.067 0.000 0.978 130 S HN 0.594 8.904 8.310 -0.000 0.000 0.489 131 L N 5.148 126.337 121.223 -0.056 0.000 2.295 131 L HA 0.440 4.777 4.340 -0.006 0.000 0.281 131 L C 0.398 177.255 176.870 -0.022 0.000 1.018 131 L CA 0.221 55.043 54.840 -0.030 0.000 0.841 131 L CB 0.927 42.968 42.059 -0.030 0.000 1.218 131 L HN 0.876 9.106 8.230 -0.000 0.000 0.424 132 D N 3.589 123.984 120.400 -0.008 0.000 2.964 132 D HA -0.252 4.385 4.640 -0.006 0.000 0.226 132 D C 0.937 177.231 176.300 -0.011 0.000 1.187 132 D CA 1.889 55.888 54.000 -0.002 0.000 0.787 132 D CB -0.567 40.234 40.800 0.003 0.000 1.085 132 D HN 1.060 9.430 8.370 -0.000 0.000 0.413 133 G N -1.979 106.809 108.800 -0.021 0.000 4.025 133 G HA2 -0.124 3.833 3.960 -0.006 0.000 0.195 133 G HA3 -0.124 3.833 3.960 -0.006 0.000 0.195 133 G C 0.398 175.276 174.900 -0.037 0.000 1.546 133 G CA 0.220 45.306 45.100 -0.025 0.000 1.007 133 G HN 0.554 8.844 8.290 -0.000 0.000 0.388 134 M N 1.606 121.179 119.600 -0.046 0.000 2.283 134 M HA 0.753 5.229 4.480 -0.006 0.000 0.314 134 M C -2.739 173.516 176.300 -0.075 0.000 1.153 134 M CA -1.883 53.380 55.300 -0.061 0.000 1.084 134 M CB 1.424 33.983 32.600 -0.069 0.000 1.468 134 M HN 0.105 8.395 8.290 -0.000 0.000 0.474 135 P HA 0.387 4.807 4.420 -0.000 0.000 0.301 135 P C -1.617 175.606 177.300 -0.128 0.000 1.348 135 P CA -0.431 62.607 63.100 -0.103 0.000 0.826 135 P CB 0.725 32.375 31.700 -0.084 0.000 0.945 136 L N 2.670 123.818 121.223 -0.126 0.000 2.280 136 L HA 0.559 4.895 4.340 -0.006 0.000 0.287 136 L C 0.187 176.985 176.870 -0.119 0.000 1.023 136 L CA -0.711 54.058 54.840 -0.118 0.000 0.819 136 L CB 1.042 43.043 42.059 -0.097 0.000 1.212 136 L HN 0.231 8.461 8.230 -0.000 0.000 0.420 137 Q N 2.773 122.537 119.800 -0.060 0.000 2.282 137 Q HA 0.573 4.910 4.340 -0.006 0.000 0.260 137 Q C -1.140 174.796 176.000 -0.107 0.000 0.964 137 Q CA -0.730 55.019 55.803 -0.090 0.000 0.880 137 Q CB 2.751 31.530 28.738 0.067 0.000 1.286 137 Q HN 0.700 8.970 8.270 -0.000 0.000 0.445 138 C N 2.055 121.124 119.300 -0.384 0.000 2.376 138 C HA 0.668 5.124 4.460 -0.006 0.000 0.335 138 C C -0.904 173.651 174.990 -0.724 0.000 1.229 138 C CA -0.780 58.013 59.018 -0.377 0.000 1.867 138 C CB -0.348 27.125 27.740 -0.446 0.000 2.319 138 C HN 0.713 8.943 8.230 -0.000 0.000 0.515 139 Y N 0.560 120.942 120.300 0.136 0.000 2.396 139 Y HA 0.406 4.953 4.550 -0.005 0.000 0.332 139 Y C -0.529 175.599 175.900 0.380 0.000 1.034 139 Y CA -0.711 57.531 58.100 0.238 0.000 1.057 139 Y CB 0.974 39.586 38.460 0.254 0.000 1.220 139 Y HN 0.702 8.982 8.280 -0.000 0.000 0.440 140 Y N 4.861 125.428 120.300 0.446 0.000 2.491 140 Y HA 0.527 5.073 4.550 -0.006 0.000 0.334 140 Y C -0.914 175.127 175.900 0.235 0.000 0.969 140 Y CA -1.641 56.647 58.100 0.315 0.000 1.241 140 Y CB 0.450 39.066 38.460 0.260 0.000 1.105 140 Y HN 0.609 8.889 8.280 -0.000 0.000 0.503 141 L N 6.158 127.251 121.223 -0.216 0.000 2.978 141 L HA 0.613 4.949 4.340 -0.006 0.000 0.239 141 L C 0.840 177.438 176.870 -0.453 0.000 1.293 141 L CA 0.235 54.929 54.840 -0.242 0.000 1.085 141 L CB -0.304 41.706 42.059 -0.082 0.000 1.432 141 L HN 0.887 9.117 8.230 -0.000 0.000 0.512 142 G N -1.128 107.023 108.800 -1.081 0.000 2.661 142 G HA2 0.135 4.092 3.960 -0.006 0.000 0.685 142 G HA3 0.135 4.092 3.960 -0.006 0.000 0.685 142 G C -0.077 174.537 174.900 -0.477 0.000 1.298 142 G CA -0.691 43.958 45.100 -0.752 0.000 0.855 142 G HN 0.494 8.784 8.290 -0.000 0.000 0.560 143 G N -1.460 107.262 108.800 -0.130 0.000 2.537 143 G HA2 0.944 4.900 3.960 -0.006 0.000 0.297 143 G HA3 0.944 4.900 3.960 -0.006 0.000 0.297 143 G C 0.815 175.599 174.900 -0.194 0.000 1.310 143 G CA 0.882 45.943 45.100 -0.064 0.000 1.027 143 G HN 2.184 10.474 8.290 -0.000 0.000 0.505 144 G N -1.822 106.719 108.800 -0.432 0.000 3.141 144 G HA2 0.101 4.058 3.960 -0.006 0.000 0.140 144 G HA3 0.101 4.058 3.960 -0.006 0.000 0.140 144 G C 0.924 174.985 174.900 -1.399 0.000 1.162 144 G CA 1.056 45.524 45.100 -1.054 0.000 1.485 144 G HN 0.748 9.038 8.290 -0.000 0.000 0.713 145 H N 1.672 119.571 119.070 -1.951 0.000 2.287 145 H HA 0.301 4.853 4.556 -0.006 0.000 0.292 145 H C 1.157 176.073 175.328 -0.686 0.000 1.068 145 H CA 2.513 57.773 56.048 -1.313 0.000 1.192 145 H CB -0.669 28.607 29.762 -0.811 0.000 1.360 145 H HN 0.674 8.954 8.280 -0.000 0.000 0.516 146 A N -0.939 121.352 122.820 -0.881 0.000 2.350 146 A HA 0.421 4.737 4.320 -0.006 0.000 0.324 146 A C 1.426 178.792 177.584 -0.363 0.000 1.118 146 A CA 0.030 51.629 52.037 -0.730 0.000 0.783 146 A CB 0.601 18.954 19.000 -1.080 0.000 1.236 146 A HN 0.631 8.781 8.150 -0.000 0.000 0.457 147 T N -0.962 113.491 114.554 -0.168 0.000 2.897 147 T HA -0.164 4.183 4.350 -0.006 0.000 0.271 147 T C 0.686 175.411 174.700 0.041 0.000 1.084 147 T CA 1.864 63.944 62.100 -0.033 0.000 1.123 147 T CB -0.413 68.460 68.868 0.009 0.000 0.865 147 T HN 0.705 8.945 8.240 -0.000 0.000 0.496 148 D N 1.375 121.765 120.400 -0.016 0.000 2.349 148 D HA -0.026 4.610 4.640 -0.006 0.000 0.214 148 D C 0.215 176.552 176.300 0.061 0.000 1.063 148 D CA -0.457 53.514 54.000 -0.048 0.000 0.847 148 D CB -1.005 39.782 40.800 -0.020 0.000 0.933 148 D HN 0.762 9.132 8.370 -0.000 0.000 0.513 149 N N 1.661 120.405 118.700 0.074 0.000 2.219 149 N HA 0.012 4.748 4.740 -0.006 0.000 0.263 149 N C 0.450 176.113 175.510 0.255 0.000 1.269 149 N CA 0.099 53.210 53.050 0.102 0.000 0.831 149 N CB 0.402 38.858 38.487 -0.052 0.000 1.059 149 N HN 0.272 8.652 8.380 -0.000 0.000 0.475 150 I N -1.497 119.213 120.570 0.232 0.000 3.540 150 I HA 0.720 4.886 4.170 -0.006 0.000 0.288 150 I C -0.235 176.005 176.117 0.206 0.000 1.169 150 I CA -1.515 59.975 61.300 0.318 0.000 1.038 150 I CB 1.457 39.703 38.000 0.410 0.000 1.338 150 I HN 0.414 8.624 8.210 -0.000 0.000 0.507 151 V N -0.232 119.838 119.914 0.261 0.000 2.841 151 V HA 0.708 4.825 4.120 -0.006 0.000 0.310 151 V C -1.056 175.179 176.094 0.235 0.000 1.090 151 V CA -0.617 61.785 62.300 0.169 0.000 0.930 151 V CB 1.669 33.583 31.823 0.152 0.000 1.014 151 V HN 0.588 8.778 8.190 -0.000 0.000 0.425 152 V N 5.567 125.592 119.914 0.184 0.000 2.326 152 V HA 0.339 4.455 4.120 -0.006 0.000 0.281 152 V C -0.383 175.834 176.094 0.205 0.000 1.015 152 V CA -0.315 62.112 62.300 0.213 0.000 0.823 152 V CB 1.431 33.390 31.823 0.227 0.000 1.009 152 V HN 1.037 9.227 8.190 -0.000 0.000 0.436 153 W N 7.355 128.639 121.300 -0.027 0.000 2.357 153 W HA 0.458 5.115 4.660 -0.005 0.000 0.317 153 W C -1.005 175.506 176.519 -0.015 0.000 1.101 153 W CA -0.919 56.350 57.345 -0.126 0.000 1.380 153 W CB 0.950 30.402 29.460 -0.013 0.000 1.266 153 W HN 0.467 8.647 8.180 -0.000 0.000 0.419 154 L N 9.679 130.579 121.223 -0.539 0.000 2.328 154 L HA 0.159 4.495 4.340 -0.006 0.000 0.280 154 L C -1.407 174.827 176.870 -1.059 0.000 1.111 154 L CA -1.612 52.873 54.840 -0.592 0.000 0.909 154 L CB 0.543 42.409 42.059 -0.323 0.000 1.277 154 L HN 0.262 8.492 8.230 -0.000 0.000 0.433 155 P HA -0.108 4.312 4.420 -0.000 0.000 0.220 155 P C 1.396 178.439 177.300 -0.429 0.000 1.148 155 P CA 1.013 63.587 63.100 -0.876 0.000 0.803 155 P CB 0.106 31.569 31.700 -0.396 0.000 0.782 156 T N -3.686 110.684 114.554 -0.307 0.000 3.081 156 T HA 0.066 4.412 4.350 -0.006 0.000 0.255 156 T C 1.346 175.958 174.700 -0.146 0.000 1.113 156 T CA 0.589 62.589 62.100 -0.168 0.000 1.082 156 T CB -0.270 68.526 68.868 -0.120 0.000 0.939 156 T HN 0.125 8.365 8.240 -0.000 0.000 0.506 157 E N 1.665 121.747 120.200 -0.197 0.000 2.206 157 E HA 0.168 4.515 4.350 -0.006 0.000 0.195 157 E C 0.325 176.859 176.600 -0.109 0.000 0.935 157 E CA 0.202 56.526 56.400 -0.126 0.000 0.875 157 E CB -0.075 29.556 29.700 -0.115 0.000 0.841 157 E HN 0.588 8.948 8.360 -0.000 0.000 0.477 158 N N -0.010 118.552 118.700 -0.230 0.000 3.127 158 N HA -0.079 4.658 4.740 -0.006 0.000 0.243 158 N C -0.890 174.648 175.510 0.047 0.000 1.090 158 N CA 0.091 53.076 53.050 -0.109 0.000 0.841 158 N CB -0.691 37.850 38.487 0.090 0.000 1.115 158 N HN 0.084 8.464 8.380 -0.000 0.000 0.542 159 I N 0.799 121.313 120.570 -0.094 0.000 2.498 159 I HA 0.513 4.679 4.170 -0.006 0.000 0.301 159 I C -0.001 176.210 176.117 0.156 0.000 0.984 159 I CA -0.664 60.697 61.300 0.102 0.000 1.204 159 I CB 1.510 39.539 38.000 0.047 0.000 1.362 159 I HN -0.011 8.199 8.210 -0.000 0.000 0.471 160 L N 6.334 127.715 121.223 0.263 0.000 2.377 160 L HA 0.406 4.742 4.340 -0.006 0.000 0.270 160 L C -0.859 176.121 176.870 0.183 0.000 0.991 160 L CA -0.375 54.597 54.840 0.221 0.000 0.851 160 L CB 1.172 43.286 42.059 0.093 0.000 1.218 160 L HN 0.378 8.608 8.230 -0.000 0.000 0.420 161 F N 5.106 125.077 119.950 0.036 0.000 2.600 161 F HA 0.390 4.914 4.527 -0.005 0.000 0.345 161 F C 1.360 177.185 175.800 0.042 0.000 1.271 161 F CA -0.092 57.922 58.000 0.024 0.000 1.138 161 F CB 0.370 39.371 39.000 0.002 0.000 1.449 161 F HN 0.633 8.933 8.300 -0.000 0.000 0.645 162 G N 3.690 112.316 108.800 -0.290 0.000 2.469 162 G HA2 0.146 4.102 3.960 -0.006 0.000 0.219 162 G HA3 0.146 4.102 3.960 -0.006 0.000 0.219 162 G C 1.026 175.572 174.900 -0.590 0.000 1.150 162 G CA 0.587 45.502 45.100 -0.308 0.000 0.763 162 G HN 1.382 9.672 8.290 -0.000 0.000 0.561 163 G N -1.781 106.332 108.800 -1.145 0.000 2.796 163 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.226 163 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.226 163 G C 0.736 175.502 174.900 -0.223 0.000 1.381 163 G CA -0.077 44.495 45.100 -0.880 0.000 0.867 163 G HN 0.932 9.222 8.290 -0.000 0.000 0.552 164 C N 0.699 120.007 119.300 0.012 0.000 2.503 164 C HA 0.123 4.579 4.460 -0.006 0.000 0.285 164 C C 2.791 177.753 174.990 -0.048 0.000 1.473 164 C CA 1.451 60.487 59.018 0.029 0.000 1.708 164 C CB -2.233 25.544 27.740 0.061 0.000 1.638 164 C HN 0.734 8.964 8.230 -0.000 0.000 0.585 165 M N 0.560 120.157 119.600 -0.005 0.000 2.229 165 M HA 0.036 4.512 4.480 -0.006 0.000 0.264 165 M C 0.434 176.937 176.300 0.338 0.000 1.063 165 M CA 1.739 57.095 55.300 0.093 0.000 1.114 165 M CB -0.284 32.343 32.600 0.046 0.000 1.387 165 M HN 0.319 8.609 8.290 -0.000 0.000 0.420 166 L N 1.456 122.765 121.223 0.144 0.000 2.344 166 L HA 0.604 4.941 4.340 -0.006 0.000 0.272 166 L C -0.498 176.425 176.870 0.088 0.000 1.035 166 L CA -1.126 53.789 54.840 0.125 0.000 0.807 166 L CB 0.937 43.047 42.059 0.084 0.000 1.237 166 L HN 0.064 8.294 8.230 -0.000 0.000 0.442 167 K N 0.209 120.652 120.400 0.071 0.000 2.267 167 K HA 0.375 4.692 4.320 -0.006 0.000 0.246 167 K C -1.343 175.351 176.600 0.157 0.000 0.954 167 K CA -1.041 55.289 56.287 0.072 0.000 0.824 167 K CB 2.227 34.724 32.500 -0.006 0.000 1.167 167 K HN 0.458 8.708 8.250 -0.000 0.000 0.431 168 D N 1.076 121.564 120.400 0.146 0.000 2.443 168 D HA -0.009 4.627 4.640 -0.006 0.000 0.239 168 D C 0.836 177.218 176.300 0.137 0.000 1.136 168 D CA 0.247 54.322 54.000 0.127 0.000 0.879 168 D CB 0.566 41.418 40.800 0.088 0.000 1.195 168 D HN 0.322 8.692 8.370 -0.000 0.000 0.443 169 N N 1.816 120.489 118.700 -0.045 0.000 2.661 169 N HA -0.162 4.574 4.740 -0.006 0.000 0.196 169 N C 0.382 175.742 175.510 -0.251 0.000 1.129 169 N CA 0.768 53.621 53.050 -0.327 0.000 0.938 169 N CB 0.086 38.441 38.487 -0.220 0.000 0.966 169 N HN 0.542 8.922 8.380 -0.000 0.000 0.450 170 Q N -0.989 118.787 119.800 -0.040 0.000 2.112 170 Q HA 0.085 4.421 4.340 -0.006 0.000 0.222 170 Q C -0.363 175.685 176.000 0.081 0.000 0.798 170 Q CA -0.120 55.684 55.803 0.002 0.000 1.060 170 Q CB 0.900 29.634 28.738 -0.007 0.000 1.184 170 Q HN 0.249 8.519 8.270 -0.000 0.000 0.475 171 T N -3.079 111.592 114.554 0.194 0.000 2.895 171 T HA 0.352 4.699 4.350 -0.006 0.000 0.283 171 T C 0.588 175.364 174.700 0.127 0.000 1.014 171 T CA -0.321 61.858 62.100 0.133 0.000 1.037 171 T CB 1.947 70.865 68.868 0.082 0.000 1.006 171 T HN -0.028 8.212 8.240 -0.000 0.000 0.468 172 T N 0.069 114.648 114.554 0.041 0.000 3.058 172 T HA 0.351 4.697 4.350 -0.006 0.000 0.278 172 T C 0.366 175.045 174.700 -0.035 0.000 0.974 172 T CA 0.034 62.141 62.100 0.012 0.000 0.893 172 T CB 0.026 68.914 68.868 0.033 0.000 1.138 172 T HN 0.704 8.944 8.240 -0.000 0.000 0.529 173 S N -0.665 115.006 115.700 -0.049 0.000 2.709 173 S HA 0.665 5.131 4.470 -0.006 0.000 0.302 173 S C 0.652 175.180 174.600 -0.119 0.000 1.127 173 S CA -0.812 57.349 58.200 -0.066 0.000 0.905 173 S CB 1.532 64.718 63.200 -0.024 0.000 1.151 173 S HN 0.288 8.598 8.310 -0.000 0.000 0.510 174 I N 0.951 121.427 120.570 -0.155 0.000 2.494 174 I HA 0.245 4.411 4.170 -0.006 0.000 0.250 174 I C 1.500 177.568 176.117 -0.081 0.000 1.112 174 I CA 1.405 62.595 61.300 -0.183 0.000 1.438 174 I CB -0.473 37.320 38.000 -0.345 0.000 1.111 174 I HN 1.017 9.227 8.210 -0.000 0.000 0.431 175 G N 1.272 110.030 108.800 -0.070 0.000 2.779 175 G HA2 -0.360 3.596 3.960 -0.006 0.000 0.284 175 G HA3 -0.360 3.596 3.960 -0.006 0.000 0.284 175 G C 0.144 175.063 174.900 0.031 0.000 1.326 175 G CA 0.255 45.361 45.100 0.010 0.000 0.983 175 G HN 0.437 8.727 8.290 -0.000 0.000 0.555 176 N N 1.737 120.426 118.700 -0.019 0.000 2.414 176 N HA 0.478 5.214 4.740 -0.006 0.000 0.256 176 N C 0.782 176.367 175.510 0.125 0.000 1.029 176 N CA -0.492 52.572 53.050 0.024 0.000 0.948 176 N CB 0.773 39.190 38.487 -0.117 0.000 1.102 176 N HN 0.303 8.683 8.380 -0.000 0.000 0.496 177 I N 1.811 122.440 120.570 0.098 0.000 4.139 177 I HA 0.082 4.248 4.170 -0.006 0.000 0.335 177 I C 1.783 177.954 176.117 0.091 0.000 1.327 177 I CA 0.244 61.614 61.300 0.117 0.000 1.112 177 I CB -1.115 36.938 38.000 0.089 0.000 1.058 177 I HN 0.429 8.639 8.210 -0.000 0.000 0.396 178 S N 1.204 116.957 115.700 0.088 0.000 2.389 178 S HA -0.210 4.256 4.470 -0.006 0.000 0.231 178 S C 0.963 175.622 174.600 0.098 0.000 1.052 178 S CA 1.840 60.099 58.200 0.098 0.000 1.053 178 S CB -0.122 63.140 63.200 0.104 0.000 0.886 178 S HN 0.426 8.736 8.310 -0.000 0.000 0.456 179 D N 0.411 120.851 120.400 0.066 0.000 2.623 179 D HA 0.534 5.171 4.640 -0.006 0.000 0.252 179 D C -0.070 176.189 176.300 -0.069 0.000 1.294 179 D CA 0.004 54.049 54.000 0.074 0.000 0.824 179 D CB 0.549 41.468 40.800 0.199 0.000 1.070 179 D HN 0.331 8.701 8.370 -0.000 0.000 0.487 180 A N 0.259 123.038 122.820 -0.068 0.000 2.269 180 A HA 0.529 4.845 4.320 -0.006 0.000 0.319 180 A C -0.431 177.144 177.584 -0.015 0.000 1.110 180 A CA -0.483 51.484 52.037 -0.117 0.000 0.847 180 A CB 1.198 20.169 19.000 -0.048 0.000 1.161 180 A HN -0.056 8.094 8.150 -0.000 0.000 0.497 181 D N 1.169 121.550 120.400 -0.031 0.000 2.438 181 D HA 0.384 5.020 4.640 -0.006 0.000 0.257 181 D C 0.717 177.099 176.300 0.137 0.000 1.148 181 D CA -0.339 53.689 54.000 0.046 0.000 0.902 181 D CB 0.792 41.607 40.800 0.025 0.000 1.062 181 D HN 0.049 8.419 8.370 -0.000 0.000 0.518 182 V N 2.382 122.430 119.914 0.224 0.000 2.515 182 V HA -0.179 3.937 4.120 -0.006 0.000 0.250 182 V C 2.358 178.623 176.094 0.284 0.000 1.058 182 V CA 2.104 64.634 62.300 0.384 0.000 1.064 182 V CB -1.041 31.010 31.823 0.380 0.000 0.675 182 V HN 0.582 8.772 8.190 -0.000 0.000 0.461 183 T N 1.385 116.046 114.554 0.178 0.000 2.580 183 T HA -0.261 4.085 4.350 -0.006 0.000 0.265 183 T C 1.978 176.758 174.700 0.133 0.000 1.063 183 T CA 1.769 63.943 62.100 0.124 0.000 1.170 183 T CB -0.743 68.174 68.868 0.082 0.000 0.863 183 T HN 0.568 8.808 8.240 -0.000 0.000 0.418 184 A N -0.078 122.818 122.820 0.126 0.000 2.248 184 A HA 0.014 4.331 4.320 -0.006 0.000 0.210 184 A C 1.917 179.606 177.584 0.176 0.000 1.174 184 A CA 0.595 52.697 52.037 0.109 0.000 0.750 184 A CB -1.010 18.026 19.000 0.060 0.000 0.780 184 A HN 0.641 8.791 8.150 -0.000 0.000 0.478 185 W N 1.507 122.815 121.300 0.013 0.000 2.418 185 W HA -0.007 4.650 4.660 -0.006 0.000 0.319 185 W C -1.209 175.306 176.519 -0.008 0.000 1.183 185 W CA 1.621 58.969 57.345 0.004 0.000 1.327 185 W CB -1.515 27.956 29.460 0.019 0.000 1.163 185 W HN 0.259 8.439 8.180 -0.000 0.000 0.479 186 P HA -0.203 4.217 4.420 -0.000 0.000 0.220 186 P C 1.309 178.643 177.300 0.056 0.000 1.144 186 P CA 2.096 65.225 63.100 0.049 0.000 0.800 186 P CB 0.001 31.702 31.700 0.002 0.000 0.772 187 K N -0.577 119.870 120.400 0.079 0.000 2.137 187 K HA 0.035 4.351 4.320 -0.006 0.000 0.202 187 K C 2.006 178.621 176.600 0.025 0.000 1.052 187 K CA 1.380 57.690 56.287 0.037 0.000 0.961 187 K CB -1.077 31.445 32.500 0.036 0.000 0.741 187 K HN -0.045 8.205 8.250 -0.000 0.000 0.452 188 T N 0.731 115.321 114.554 0.060 0.000 3.023 188 T HA 0.079 4.425 4.350 -0.006 0.000 0.266 188 T C 1.434 176.170 174.700 0.060 0.000 1.093 188 T CA 0.592 62.711 62.100 0.032 0.000 1.129 188 T CB 0.039 68.913 68.868 0.011 0.000 0.899 188 T HN 0.070 8.310 8.240 -0.000 0.000 0.491 189 L N 0.600 121.885 121.223 0.103 0.000 2.270 189 L HA 0.031 4.367 4.340 -0.006 0.000 0.210 189 L C 1.947 178.830 176.870 0.023 0.000 1.104 189 L CA 0.866 55.755 54.840 0.082 0.000 0.804 189 L CB -0.167 41.949 42.059 0.095 0.000 0.937 189 L HN 0.179 8.409 8.230 -0.000 0.000 0.450 190 D N -0.073 120.327 120.400 -0.001 0.000 2.323 190 D HA -0.100 4.536 4.640 -0.006 0.000 0.209 190 D C 1.826 178.089 176.300 -0.060 0.000 0.973 190 D CA 0.692 54.675 54.000 -0.029 0.000 0.874 190 D CB 0.267 41.048 40.800 -0.032 0.000 0.930 190 D HN 0.307 8.677 8.370 -0.000 0.000 0.521 191 K N 0.413 120.773 120.400 -0.066 0.000 2.186 191 K HA 0.032 4.348 4.320 -0.006 0.000 0.202 191 K C 1.993 178.494 176.600 -0.164 0.000 1.052 191 K CA 0.118 56.330 56.287 -0.125 0.000 0.965 191 K CB 0.383 32.813 32.500 -0.116 0.000 0.746 191 K HN -0.096 8.154 8.250 -0.000 0.000 0.457 192 V N 1.520 121.399 119.914 -0.058 0.000 2.970 192 V HA -0.185 3.931 4.120 -0.006 0.000 0.260 192 V C 2.060 178.158 176.094 0.007 0.000 1.100 192 V CA 1.520 63.840 62.300 0.032 0.000 1.122 192 V CB -0.148 31.734 31.823 0.098 0.000 0.721 192 V HN 0.228 8.418 8.190 -0.000 0.000 0.483 193 K N -0.049 120.320 120.400 -0.051 0.000 2.202 193 K HA 0.146 4.462 4.320 -0.006 0.000 0.201 193 K C 2.127 178.650 176.600 -0.129 0.000 1.051 193 K CA 1.045 57.297 56.287 -0.058 0.000 0.977 193 K CB -0.184 32.292 32.500 -0.039 0.000 0.792 193 K HN 0.336 8.586 8.250 -0.000 0.000 0.469 194 A N 2.103 124.823 122.820 -0.166 0.000 1.902 194 A HA -0.182 4.134 4.320 -0.006 0.000 0.217 194 A C 1.843 179.233 177.584 -0.323 0.000 1.181 194 A CA 1.961 53.875 52.037 -0.205 0.000 0.623 194 A CB -0.452 18.442 19.000 -0.175 0.000 0.818 194 A HN 0.444 8.594 8.150 -0.000 0.000 0.443 195 K N -2.426 117.642 120.400 -0.554 0.000 2.358 195 K HA 0.198 4.514 4.320 -0.006 0.000 0.197 195 K C -0.701 175.207 176.600 -1.153 0.000 1.025 195 K CA -0.040 55.727 56.287 -0.868 0.000 1.104 195 K CB 0.136 31.871 32.500 -1.275 0.000 0.855 195 K HN 0.262 8.512 8.250 -0.000 0.000 0.531 196 F N 1.603 121.289 119.950 -0.440 0.000 2.761 196 F HA 0.369 4.892 4.527 -0.006 0.000 0.367 196 F C -1.931 173.651 175.800 -0.363 0.000 1.386 196 F CA -2.753 54.876 58.000 -0.618 0.000 1.177 196 F CB 1.114 39.713 39.000 -0.667 0.000 1.092 196 F HN -0.086 8.214 8.300 -0.000 0.000 0.517 197 P HA -0.212 4.208 4.420 -0.000 0.000 0.214 197 P C 1.556 178.855 177.300 -0.001 0.000 1.169 197 P CA 1.808 64.874 63.100 -0.058 0.000 0.908 197 P CB -0.096 31.566 31.700 -0.064 0.000 0.791 198 S N -1.375 114.350 115.700 0.041 0.000 2.881 198 S HA 0.273 4.740 4.470 -0.006 0.000 0.228 198 S C 0.828 175.544 174.600 0.193 0.000 0.965 198 S CA -0.210 58.061 58.200 0.119 0.000 0.998 198 S CB -1.408 61.910 63.200 0.197 0.000 0.795 198 S HN 0.239 8.549 8.310 -0.000 0.000 0.518 199 A N 2.178 125.086 122.820 0.145 0.000 2.462 199 A HA 0.438 4.754 4.320 -0.006 0.000 0.243 199 A C 1.416 179.057 177.584 0.096 0.000 1.076 199 A CA -0.483 51.683 52.037 0.214 0.000 0.773 199 A CB 0.249 19.343 19.000 0.157 0.000 1.010 199 A HN 0.728 8.878 8.150 -0.000 0.000 0.493 200 R N 0.575 121.099 120.500 0.041 0.000 2.279 200 R HA 0.221 4.557 4.340 -0.006 0.000 0.195 200 R C -1.014 175.036 176.300 -0.417 0.000 0.905 200 R CA 0.384 56.366 56.100 -0.198 0.000 1.044 200 R CB 0.271 30.418 30.300 -0.255 0.000 1.056 200 R HN 0.602 8.872 8.270 -0.000 0.000 0.535 201 Y N -0.128 120.247 120.300 0.124 0.000 2.534 201 Y HA 0.551 5.097 4.550 -0.006 0.000 0.345 201 Y C -0.728 175.258 175.900 0.143 0.000 1.031 201 Y CA -1.109 57.079 58.100 0.146 0.000 1.022 201 Y CB 2.677 41.200 38.460 0.107 0.000 1.292 201 Y HN -0.292 7.988 8.280 -0.000 0.000 0.459 202 V N 2.838 122.956 119.914 0.341 0.000 2.709 202 V HA 0.724 4.840 4.120 -0.006 0.000 0.308 202 V C -1.104 175.138 176.094 0.246 0.000 1.062 202 V CA -0.926 61.509 62.300 0.225 0.000 0.901 202 V CB 2.065 33.983 31.823 0.158 0.000 1.003 202 V HN 0.527 8.717 8.190 -0.000 0.000 0.425 203 V N 5.366 125.400 119.914 0.200 0.000 2.588 203 V HA 0.611 4.727 4.120 -0.006 0.000 0.304 203 V C -2.455 173.716 176.094 0.128 0.000 1.042 203 V CA -1.693 60.740 62.300 0.222 0.000 0.877 203 V CB 2.245 34.229 31.823 0.268 0.000 0.996 203 V HN 0.756 8.946 8.190 -0.000 0.000 0.425 204 P HA 0.365 4.785 4.420 -0.000 0.000 0.286 204 P C 0.722 178.051 177.300 0.048 0.000 1.292 204 P CA -0.290 62.841 63.100 0.051 0.000 0.842 204 P CB 1.916 33.665 31.700 0.083 0.000 1.207 205 G N -0.867 107.949 108.800 0.027 0.000 2.394 205 G HA2 -0.050 3.906 3.960 -0.006 0.000 0.214 205 G HA3 -0.050 3.906 3.960 -0.006 0.000 0.214 205 G C 0.506 175.154 174.900 -0.421 0.000 1.176 205 G CA 0.647 45.728 45.100 -0.032 0.000 0.786 205 G HN 0.568 8.858 8.290 -0.000 0.000 0.533 206 H N -0.222 118.854 119.070 0.010 0.000 2.529 206 H HA 0.510 5.063 4.556 -0.006 0.000 0.348 206 H C 0.690 176.029 175.328 0.019 0.000 1.152 206 H CA 0.059 56.108 56.048 0.002 0.000 1.202 206 H CB 1.491 31.237 29.762 -0.027 0.000 1.562 206 H HN 0.555 8.835 8.280 -0.000 0.000 0.515 207 G N 1.930 110.771 108.800 0.070 0.000 2.707 207 G HA2 -0.235 3.722 3.960 -0.006 0.000 0.686 207 G HA3 -0.235 3.722 3.960 -0.006 0.000 0.686 207 G C -0.837 174.090 174.900 0.044 0.000 1.315 207 G CA -0.982 44.152 45.100 0.057 0.000 0.832 207 G HN 0.659 8.949 8.290 -0.000 0.000 0.573 208 N N 0.234 118.945 118.700 0.018 0.000 2.479 208 N HA 0.481 5.217 4.740 -0.006 0.000 0.257 208 N C 0.711 176.220 175.510 -0.002 0.000 1.232 208 N CA 0.511 53.551 53.050 -0.017 0.000 0.920 208 N CB 0.232 38.660 38.487 -0.098 0.000 1.105 208 N HN 0.712 9.092 8.380 -0.000 0.000 0.444 209 Y N -0.195 120.106 120.300 0.002 0.000 2.330 209 Y HA 0.762 5.308 4.550 -0.005 0.000 0.387 209 Y C 1.139 177.081 175.900 0.069 0.000 1.365 209 Y CA -0.626 57.494 58.100 0.033 0.000 1.828 209 Y CB -0.329 38.135 38.460 0.008 0.000 1.696 209 Y HN 0.579 8.859 8.280 -0.000 0.000 0.616 210 G N -1.765 107.190 108.800 0.257 0.000 2.452 210 G HA2 0.421 4.377 3.960 -0.006 0.000 0.224 210 G HA3 0.421 4.377 3.960 -0.006 0.000 0.224 210 G C -0.488 174.575 174.900 0.271 0.000 1.208 210 G CA -0.407 44.792 45.100 0.166 0.000 0.946 210 G HN 1.043 9.333 8.290 -0.000 0.000 0.481 211 G N -1.511 107.367 108.800 0.131 0.000 2.543 211 G HA2 0.518 4.474 3.960 -0.006 0.000 0.267 211 G HA3 0.518 4.474 3.960 -0.006 0.000 0.267 211 G C 1.415 176.359 174.900 0.074 0.000 1.406 211 G CA 1.486 46.637 45.100 0.085 0.000 1.048 211 G HN 1.548 9.838 8.290 -0.000 0.000 0.548 212 T N -2.431 112.152 114.554 0.049 0.000 2.985 212 T HA -0.028 4.318 4.350 -0.006 0.000 0.266 212 T C 1.718 176.443 174.700 0.041 0.000 1.076 212 T CA 1.616 63.743 62.100 0.046 0.000 1.135 212 T CB -0.311 68.575 68.868 0.030 0.000 0.890 212 T HN 0.609 8.849 8.240 -0.000 0.000 0.480 213 E N 1.476 121.694 120.200 0.029 0.000 2.284 213 E HA -0.116 4.230 4.350 -0.006 0.000 0.200 213 E C 1.899 178.534 176.600 0.059 0.000 1.008 213 E CA 0.966 57.380 56.400 0.024 0.000 0.829 213 E CB -0.715 28.982 29.700 -0.004 0.000 0.744 213 E HN 0.442 8.802 8.360 -0.000 0.000 0.491 214 L N 0.197 121.461 121.223 0.068 0.000 2.201 214 L HA -0.131 4.205 4.340 -0.006 0.000 0.212 214 L C 2.054 178.994 176.870 0.116 0.000 1.105 214 L CA 0.897 55.803 54.840 0.110 0.000 0.775 214 L CB -0.014 42.103 42.059 0.096 0.000 0.913 214 L HN 0.180 8.410 8.230 -0.000 0.000 0.440 215 I N -1.538 119.078 120.570 0.076 0.000 2.852 215 I HA -0.129 4.037 4.170 -0.006 0.000 0.264 215 I C 2.316 178.451 176.117 0.030 0.000 1.179 215 I CA 0.293 61.624 61.300 0.052 0.000 1.480 215 I CB 0.023 38.048 38.000 0.041 0.000 1.111 215 I HN 0.119 8.329 8.210 -0.000 0.000 0.441 216 E N 0.694 120.922 120.200 0.046 0.000 2.008 216 E HA -0.259 4.087 4.350 -0.006 0.000 0.191 216 E C 2.100 178.718 176.600 0.030 0.000 0.986 216 E CA 1.484 57.900 56.400 0.026 0.000 0.807 216 E CB -0.252 29.467 29.700 0.031 0.000 0.766 216 E HN 0.380 8.740 8.360 -0.000 0.000 0.450 217 H N -0.052 118.992 119.070 -0.043 0.000 2.266 217 H HA -0.209 4.343 4.556 -0.006 0.000 0.286 217 H C 1.913 177.191 175.328 -0.083 0.000 1.102 217 H CA 2.880 58.898 56.048 -0.051 0.000 1.182 217 H CB -0.858 28.883 29.762 -0.035 0.000 1.345 217 H HN 0.238 8.518 8.280 -0.000 0.000 0.485 218 T N 0.449 114.878 114.554 -0.208 0.000 2.833 218 T HA -0.136 4.211 4.350 -0.006 0.000 0.269 218 T C 2.042 176.519 174.700 -0.371 0.000 1.054 218 T CA 1.603 63.505 62.100 -0.330 0.000 1.135 218 T CB -0.145 68.628 68.868 -0.157 0.000 0.869 218 T HN 0.373 8.613 8.240 -0.000 0.000 0.466 219 K N 0.679 120.934 120.400 -0.242 0.000 2.155 219 K HA -0.002 4.314 4.320 -0.006 0.000 0.203 219 K C 2.106 178.585 176.600 -0.202 0.000 1.052 219 K CA 1.006 57.160 56.287 -0.223 0.000 0.948 219 K CB 0.058 32.493 32.500 -0.108 0.000 0.728 219 K HN 0.334 8.584 8.250 -0.000 0.000 0.448 220 Q N -0.206 119.493 119.800 -0.167 0.000 2.319 220 Q HA 0.148 4.484 4.340 -0.006 0.000 0.202 220 Q C 1.573 177.481 176.000 -0.153 0.000 0.896 220 Q CA -0.020 55.710 55.803 -0.123 0.000 0.942 220 Q CB 0.524 29.223 28.738 -0.065 0.000 1.083 220 Q HN 0.326 8.596 8.270 -0.000 0.000 0.510 221 I N -0.860 119.557 120.570 -0.256 0.000 2.339 221 I HA -0.160 4.007 4.170 -0.006 0.000 0.245 221 I C 2.113 178.087 176.117 -0.237 0.000 1.096 221 I CA 0.657 61.793 61.300 -0.274 0.000 1.408 221 I CB -0.009 37.740 38.000 -0.418 0.000 1.092 221 I HN 0.059 8.269 8.210 -0.000 0.000 0.423 222 V N 1.022 120.724 119.914 -0.353 0.000 2.488 222 V HA -0.149 3.968 4.120 -0.006 0.000 0.246 222 V C 2.140 178.136 176.094 -0.164 0.000 1.046 222 V CA 1.699 63.774 62.300 -0.375 0.000 1.053 222 V CB -0.461 30.889 31.823 -0.788 0.000 0.679 222 V HN 0.384 8.574 8.190 -0.000 0.000 0.458 223 N N 0.007 118.613 118.700 -0.158 0.000 2.120 223 N HA -0.207 4.529 4.740 -0.006 0.000 0.188 223 N C 1.799 177.279 175.510 -0.050 0.000 1.024 223 N CA 1.958 54.958 53.050 -0.083 0.000 0.852 223 N CB -0.264 38.177 38.487 -0.076 0.000 1.003 223 N HN 0.668 9.048 8.380 -0.000 0.000 0.424 224 Q N -0.330 119.439 119.800 -0.052 0.000 1.998 224 Q HA -0.256 4.081 4.340 -0.006 0.000 0.209 224 Q C 1.905 177.915 176.000 0.017 0.000 1.002 224 Q CA 1.912 57.702 55.803 -0.022 0.000 0.858 224 Q CB -0.426 28.299 28.738 -0.023 0.000 0.932 224 Q HN 0.394 8.664 8.270 -0.000 0.000 0.416 225 Y N 0.596 120.844 120.300 -0.087 0.000 2.062 225 Y HA -0.332 4.215 4.550 -0.006 0.000 0.276 225 Y C 1.914 177.796 175.900 -0.029 0.000 1.189 225 Y CA 2.108 60.175 58.100 -0.054 0.000 1.130 225 Y CB -0.637 37.787 38.460 -0.061 0.000 0.959 225 Y HN 0.254 8.534 8.280 -0.000 0.000 0.499 226 I N 0.365 120.866 120.570 -0.115 0.000 2.118 226 I HA -0.373 3.794 4.170 -0.006 0.000 0.241 226 I C 2.311 178.336 176.117 -0.152 0.000 1.070 226 I CA 2.326 63.531 61.300 -0.159 0.000 1.327 226 I CB -0.416 37.561 38.000 -0.038 0.000 1.034 226 I HN 0.356 8.566 8.210 -0.000 0.000 0.405 227 E N -0.694 119.448 120.200 -0.096 0.000 2.274 227 E HA -0.155 4.191 4.350 -0.006 0.000 0.194 227 E C 2.098 178.640 176.600 -0.096 0.000 0.996 227 E CA 1.069 57.422 56.400 -0.078 0.000 0.840 227 E CB -0.224 29.446 29.700 -0.051 0.000 0.772 227 E HN 0.298 8.658 8.360 -0.000 0.000 0.491 228 S N 0.354 115.982 115.700 -0.121 0.000 2.474 228 S HA -0.054 4.413 4.470 -0.006 0.000 0.235 228 S C 0.838 175.326 174.600 -0.186 0.000 0.997 228 S CA 0.838 58.967 58.200 -0.118 0.000 0.949 228 S CB 0.042 63.203 63.200 -0.065 0.000 0.766 228 S HN 0.158 8.468 8.310 -0.000 0.000 0.517 229 T N 1.055 115.448 114.554 -0.268 0.000 3.532 229 T HA 0.451 4.798 4.350 -0.006 0.000 0.241 229 T C -0.582 174.028 174.700 -0.151 0.000 1.238 229 T CA -0.430 61.524 62.100 -0.243 0.000 1.405 229 T CB 0.876 69.542 68.868 -0.336 0.000 0.971 229 T HN 0.031 8.271 8.240 -0.000 0.000 0.640 230 S N 0.000 115.638 115.700 -0.104 0.000 2.498 230 S HA 0.000 4.466 4.470 -0.006 0.000 0.327 230 S CA 0.000 58.159 58.200 -0.068 0.000 1.107 230 S CB 0.000 63.164 63.200 -0.059 0.000 0.593 230 S HN 0.000 8.310 8.310 -0.000 0.000 0.517