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 3dvg_1_A DATA FIRST_RESID 5 DATA SEQUENCE TQSPSSLSAS VGDRVTITcR ASQSVSSAVA WYQQKPGKAP KLLIYSARSL DATA SEQUENCE YSGVPSRFSG SRSGTDFTLT ISSLQPEDFA TYYcQQYSSY SSLFTFGQGT DATA SEQUENCE KVEIKRTVAA PSVFIFPPSD EQLKSGTASV VcLLNNFYPR EAKVQWKVDN DATA SEQUENCE ALQSGNSQES VTEQDSKDST YSLSSTLTLS KADYEKHKVY AcEVTHQGLS DATA SEQUENCE SPVTKSFNRG 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 5 T HA 0.000 4.350 4.350 0.000 0.000 0.228 5 T C 0.000 174.733 174.700 0.055 0.000 1.109 5 T CA 0.000 62.132 62.100 0.053 0.000 1.349 5 T CB 0.000 68.899 68.868 0.051 0.000 0.612 6 Q N 1.371 121.213 119.800 0.071 0.000 2.418 6 Q HA 0.854 5.193 4.340 -0.002 0.000 0.276 6 Q C -0.994 175.054 176.000 0.079 0.000 1.081 6 Q CA -0.970 54.873 55.803 0.068 0.000 0.864 6 Q CB 1.631 30.409 28.738 0.066 0.000 1.384 6 Q HN 0.057 8.327 8.270 0.000 0.000 0.467 7 S N 2.072 117.813 115.700 0.068 0.000 2.580 7 S HA 0.342 4.811 4.470 -0.002 0.000 0.274 7 S C -2.126 172.517 174.600 0.072 0.000 1.329 7 S CA -0.811 57.432 58.200 0.071 0.000 1.036 7 S CB 0.306 63.540 63.200 0.057 0.000 0.919 7 S HN 0.466 8.776 8.310 0.000 0.000 0.515 8 P HA 0.185 4.605 4.420 0.000 0.000 0.274 8 P C -0.572 176.755 177.300 0.044 0.000 1.237 8 P CA -0.530 62.594 63.100 0.041 0.000 0.793 8 P CB 0.415 32.116 31.700 0.002 0.000 0.977 9 S N -0.200 115.525 115.700 0.042 0.000 2.616 9 S HA 0.442 4.911 4.470 -0.002 0.000 0.277 9 S C 0.076 174.710 174.600 0.057 0.000 1.234 9 S CA -0.611 57.618 58.200 0.048 0.000 1.028 9 S CB 0.760 63.990 63.200 0.050 0.000 0.988 9 S HN 0.424 8.734 8.310 0.000 0.000 0.522 10 S N 0.905 116.642 115.700 0.060 0.000 2.475 10 S HA 0.632 5.101 4.470 -0.002 0.000 0.298 10 S C -1.077 173.573 174.600 0.083 0.000 1.119 10 S CA -0.777 57.471 58.200 0.080 0.000 1.085 10 S CB 0.414 63.658 63.200 0.075 0.000 1.028 10 S HN 0.691 9.001 8.310 0.000 0.000 0.489 11 L N 4.499 125.786 121.223 0.106 0.000 2.333 11 L HA 0.603 4.942 4.340 -0.002 0.000 0.280 11 L C -0.593 176.367 176.870 0.149 0.000 1.004 11 L CA 0.062 54.962 54.840 0.100 0.000 0.820 11 L CB 1.936 44.036 42.059 0.069 0.000 1.247 11 L HN 0.630 8.860 8.230 0.000 0.000 0.416 12 S N 4.076 119.864 115.700 0.148 0.000 2.438 12 S HA 0.907 5.376 4.470 -0.002 0.000 0.293 12 S C -0.242 174.469 174.600 0.186 0.000 1.141 12 S CA -0.332 57.990 58.200 0.204 0.000 1.080 12 S CB 1.152 64.474 63.200 0.204 0.000 0.978 12 S HN 0.865 9.175 8.310 0.000 0.000 0.479 13 A N 2.702 125.677 122.820 0.259 0.000 2.556 13 A HA 0.843 5.162 4.320 -0.002 0.000 0.294 13 A C -0.462 177.313 177.584 0.317 0.000 1.091 13 A CA -0.790 51.389 52.037 0.236 0.000 0.704 13 A CB 1.397 20.488 19.000 0.151 0.000 1.300 13 A HN 0.596 8.746 8.150 0.000 0.000 0.406 14 S N -0.239 115.593 115.700 0.219 0.000 2.608 14 S HA 0.513 4.982 4.470 -0.002 0.000 0.291 14 S C 0.009 174.767 174.600 0.263 0.000 1.146 14 S CA -0.591 57.715 58.200 0.177 0.000 1.043 14 S CB 1.538 64.785 63.200 0.079 0.000 1.037 14 S HN 0.754 9.064 8.310 0.000 0.000 0.520 15 V N 2.462 122.508 119.914 0.220 0.000 2.584 15 V HA 0.304 4.423 4.120 -0.002 0.000 0.303 15 V C 1.474 177.630 176.094 0.104 0.000 1.035 15 V CA 1.682 64.110 62.300 0.213 0.000 1.172 15 V CB -0.358 31.528 31.823 0.104 0.000 0.896 15 V HN 1.312 9.502 8.190 0.000 0.000 0.486 16 G N 3.631 112.473 108.800 0.069 0.000 2.195 16 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.224 16 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.224 16 G C -0.050 174.844 174.900 -0.011 0.000 0.990 16 G CA -0.036 45.072 45.100 0.013 0.000 0.639 16 G HN 0.653 8.943 8.290 0.000 0.000 0.514 17 D N 0.343 120.742 120.400 -0.001 0.000 2.362 17 D HA 0.413 5.052 4.640 -0.002 0.000 0.242 17 D C 0.814 177.064 176.300 -0.082 0.000 1.132 17 D CA -0.056 53.928 54.000 -0.027 0.000 0.907 17 D CB 0.723 41.523 40.800 -0.001 0.000 1.195 17 D HN 0.362 8.732 8.370 0.000 0.000 0.429 18 R N 0.931 121.382 120.500 -0.082 0.000 2.265 18 R HA 0.424 4.763 4.340 -0.002 0.000 0.314 18 R C -1.161 175.065 176.300 -0.124 0.000 1.053 18 R CA -0.466 55.565 56.100 -0.114 0.000 0.931 18 R CB 0.594 30.839 30.300 -0.091 0.000 1.024 18 R HN 0.130 8.400 8.270 0.000 0.000 0.457 19 V N 3.567 123.375 119.914 -0.176 0.000 2.540 19 V HA 0.343 4.462 4.120 -0.002 0.000 0.302 19 V C -0.557 175.417 176.094 -0.201 0.000 1.035 19 V CA -0.552 61.639 62.300 -0.183 0.000 0.873 19 V CB 2.293 33.975 31.823 -0.235 0.000 0.992 19 V HN 0.810 9.000 8.190 0.000 0.000 0.428 20 T N 6.391 120.854 114.554 -0.151 0.000 2.864 20 T HA 0.569 4.918 4.350 -0.002 0.000 0.310 20 T C -0.284 174.348 174.700 -0.114 0.000 1.040 20 T CA -0.090 61.921 62.100 -0.148 0.000 0.977 20 T CB 0.436 69.244 68.868 -0.099 0.000 0.976 20 T HN 0.357 8.597 8.240 0.000 0.000 0.459 21 I N 3.522 123.993 120.570 -0.166 0.000 2.365 21 I HA 0.380 4.549 4.170 -0.002 0.000 0.291 21 I C 1.060 177.215 176.117 0.063 0.000 1.004 21 I CA -0.412 60.856 61.300 -0.054 0.000 1.311 21 I CB 1.335 39.289 38.000 -0.077 0.000 1.401 21 I HN 0.520 8.730 8.210 0.000 0.000 0.491 22 T N 3.569 118.228 114.554 0.174 0.000 2.888 22 T HA 0.436 4.785 4.350 -0.002 0.000 0.284 22 T C -0.749 174.166 174.700 0.358 0.000 1.017 22 T CA -0.712 61.543 62.100 0.259 0.000 1.022 22 T CB 1.576 70.533 68.868 0.148 0.000 1.013 22 T HN 0.691 8.931 8.240 0.000 0.000 0.465 23 c N 5.566 124.412 118.600 0.410 0.000 2.321 23 c HA 0.563 5.132 4.570 -0.002 0.000 0.323 23 c C 0.397 174.638 174.090 0.251 0.000 1.191 23 c CA -0.855 55.655 56.329 0.302 0.000 1.455 23 c CB -0.687 41.957 42.510 0.224 0.000 2.083 23 c HN 0.940 9.170 8.230 0.000 0.000 0.442 24 R N 3.482 124.085 120.500 0.170 0.000 2.522 24 R HA 0.484 4.824 4.340 -0.002 0.000 0.284 24 R C 0.247 176.634 176.300 0.146 0.000 1.032 24 R CA 0.400 56.579 56.100 0.132 0.000 1.049 24 R CB 0.878 31.233 30.300 0.092 0.000 0.956 24 R HN 0.891 9.161 8.270 0.000 0.000 0.422 25 A N 1.441 124.350 122.820 0.148 0.000 2.485 25 A HA 0.553 4.873 4.320 -0.002 0.000 0.292 25 A C -0.642 177.007 177.584 0.109 0.000 1.147 25 A CA -0.536 51.611 52.037 0.184 0.000 0.750 25 A CB 1.968 21.220 19.000 0.419 0.000 1.331 25 A HN 0.601 8.751 8.150 0.000 0.000 0.419 26 S N -1.172 114.591 115.700 0.105 0.000 2.664 26 S HA 0.363 4.832 4.470 -0.002 0.000 0.304 26 S C 0.399 175.038 174.600 0.065 0.000 1.099 26 S CA -0.490 57.743 58.200 0.056 0.000 1.003 26 S CB 1.273 64.488 63.200 0.025 0.000 1.092 26 S HN 0.579 8.889 8.310 0.000 0.000 0.525 27 Q N 1.416 121.235 119.800 0.032 0.000 2.119 27 Q HA -0.060 4.279 4.340 -0.002 0.000 0.201 27 Q C 2.286 178.314 176.000 0.047 0.000 0.972 27 Q CA 1.662 57.486 55.803 0.034 0.000 0.847 27 Q CB -0.946 27.794 28.738 0.004 0.000 0.903 27 Q HN 0.787 9.057 8.270 0.000 0.000 0.433 28 S N 0.529 116.234 115.700 0.008 0.000 2.359 28 S HA -0.111 4.358 4.470 -0.002 0.000 0.223 28 S C 1.213 175.869 174.600 0.094 0.000 1.039 28 S CA 0.842 59.050 58.200 0.014 0.000 1.042 28 S CB -0.420 62.738 63.200 -0.071 0.000 0.915 28 S HN 0.216 8.526 8.310 0.000 0.000 0.439 29 V N 2.770 122.703 119.914 0.032 0.000 2.872 29 V HA 0.365 4.484 4.120 -0.002 0.000 0.307 29 V C 0.525 176.636 176.094 0.028 0.000 1.072 29 V CA 0.264 62.555 62.300 -0.015 0.000 1.148 29 V CB 0.848 32.655 31.823 -0.027 0.000 0.954 29 V HN 0.763 8.953 8.190 0.000 0.000 0.490 30 S N 3.721 119.401 115.700 -0.033 0.000 2.617 30 S HA 0.218 4.687 4.470 -0.002 0.000 0.269 30 S C 1.061 175.675 174.600 0.024 0.000 1.292 30 S CA 0.086 58.297 58.200 0.018 0.000 1.010 30 S CB 1.361 64.575 63.200 0.024 0.000 0.944 30 S HN 1.499 9.809 8.310 0.000 0.000 0.536 31 S N 0.898 116.661 115.700 0.104 0.000 2.701 31 S HA 0.228 4.697 4.470 -0.002 0.000 0.220 31 S C 0.857 175.423 174.600 -0.057 0.000 0.954 31 S CA -0.071 58.219 58.200 0.152 0.000 0.936 31 S CB -0.728 62.677 63.200 0.343 0.000 0.777 31 S HN 1.133 9.443 8.310 0.000 0.000 0.518 32 A N 1.684 124.460 122.820 -0.073 0.000 3.077 32 A HA 0.552 4.871 4.320 -0.002 0.000 0.255 32 A C 0.175 177.668 177.584 -0.153 0.000 1.728 32 A CA -0.476 51.525 52.037 -0.060 0.000 1.383 32 A CB -0.639 18.366 19.000 0.008 0.000 1.097 32 A HN 0.370 8.520 8.150 0.000 0.000 0.634 33 V N 1.083 120.805 119.914 -0.319 0.000 2.498 33 V HA 0.530 4.649 4.120 -0.002 0.000 0.279 33 V C 0.705 176.665 176.094 -0.222 0.000 1.048 33 V CA 0.148 62.193 62.300 -0.425 0.000 0.967 33 V CB 1.103 32.404 31.823 -0.871 0.000 0.988 33 V HN 0.760 8.950 8.190 0.000 0.000 0.473 34 A N 4.770 127.453 122.820 -0.227 0.000 2.355 34 A HA 0.843 5.162 4.320 -0.002 0.000 0.324 34 A C -1.508 175.874 177.584 -0.337 0.000 1.117 34 A CA -0.589 51.345 52.037 -0.173 0.000 0.785 34 A CB 0.934 19.879 19.000 -0.092 0.000 1.254 34 A HN 0.817 8.967 8.150 0.000 0.000 0.453 35 W N 0.306 121.464 121.300 -0.237 0.000 2.702 35 W HA 0.659 5.318 4.660 -0.002 0.000 0.331 35 W C -1.231 175.066 176.519 -0.370 0.000 1.049 35 W CA 0.042 57.327 57.345 -0.100 0.000 1.230 35 W CB 1.550 31.034 29.460 0.039 0.000 1.408 35 W HN 0.605 8.785 8.180 0.000 0.000 0.492 36 Y N 1.141 121.699 120.300 0.431 0.000 2.499 36 Y HA 0.391 4.940 4.550 -0.002 0.000 0.347 36 Y C -0.065 175.963 175.900 0.213 0.000 0.987 36 Y CA -1.409 56.839 58.100 0.248 0.000 1.044 36 Y CB 2.066 40.622 38.460 0.160 0.000 1.245 36 Y HN 0.290 8.570 8.280 0.000 0.000 0.461 37 Q N 2.994 122.887 119.800 0.156 0.000 2.316 37 Q HA 0.382 4.721 4.340 -0.002 0.000 0.264 37 Q C -1.555 174.416 176.000 -0.048 0.000 0.987 37 Q CA -0.802 54.906 55.803 -0.160 0.000 0.852 37 Q CB 1.960 30.543 28.738 -0.260 0.000 1.287 37 Q HN 0.832 9.102 8.270 0.000 0.000 0.448 38 Q N 3.759 123.521 119.800 -0.064 0.000 2.304 38 Q HA 0.375 4.714 4.340 -0.002 0.000 0.270 38 Q C -1.502 174.492 176.000 -0.011 0.000 1.035 38 Q CA -0.536 55.271 55.803 0.007 0.000 0.781 38 Q CB 1.673 30.467 28.738 0.092 0.000 1.261 38 Q HN 0.551 8.822 8.270 0.000 0.000 0.444 39 K N 3.752 124.151 120.400 -0.002 0.000 2.110 39 K HA 0.478 4.797 4.320 -0.002 0.000 0.263 39 K C -2.376 174.239 176.600 0.025 0.000 0.975 39 K CA -1.942 54.355 56.287 0.017 0.000 0.895 39 K CB 1.104 33.618 32.500 0.022 0.000 1.060 39 K HN 0.467 8.717 8.250 0.000 0.000 0.448 40 P HA -0.107 4.313 4.420 0.000 0.000 0.261 40 P C 0.600 177.912 177.300 0.020 0.000 1.183 40 P CA 0.899 64.020 63.100 0.035 0.000 0.761 40 P CB 0.359 32.085 31.700 0.043 0.000 0.785 41 G N 1.694 110.501 108.800 0.013 0.000 2.199 41 G HA2 -0.251 3.709 3.960 -0.002 0.000 0.254 41 G HA3 -0.251 3.709 3.960 -0.002 0.000 0.254 41 G C 0.203 175.099 174.900 -0.007 0.000 0.982 41 G CA 0.450 45.552 45.100 0.003 0.000 0.632 41 G HN 0.695 8.985 8.290 0.000 0.000 0.529 42 K N 0.097 120.492 120.400 -0.009 0.000 2.346 42 K HA 0.803 5.122 4.320 -0.002 0.000 0.238 42 K C 0.385 176.964 176.600 -0.035 0.000 1.039 42 K CA -0.249 56.028 56.287 -0.017 0.000 0.861 42 K CB 1.622 34.118 32.500 -0.006 0.000 1.278 42 K HN 0.526 8.776 8.250 0.000 0.000 0.460 43 A N 1.903 124.698 122.820 -0.043 0.000 2.322 43 A HA 0.457 4.776 4.320 -0.002 0.000 0.269 43 A C -2.408 175.139 177.584 -0.062 0.000 1.094 43 A CA -1.255 50.739 52.037 -0.072 0.000 0.807 43 A CB -0.168 18.790 19.000 -0.069 0.000 1.047 43 A HN 0.413 8.563 8.150 0.000 0.000 0.487 44 P HA 0.249 4.669 4.420 0.000 0.000 0.269 44 P C -0.773 176.550 177.300 0.038 0.000 1.215 44 P CA 0.088 63.156 63.100 -0.053 0.000 0.780 44 P CB 0.451 32.028 31.700 -0.206 0.000 0.898 45 K N 1.509 121.978 120.400 0.114 0.000 2.324 45 K HA 0.408 4.727 4.320 -0.002 0.000 0.253 45 K C -0.852 175.838 176.600 0.149 0.000 0.932 45 K CA -1.130 55.227 56.287 0.118 0.000 0.799 45 K CB 1.772 34.312 32.500 0.067 0.000 1.154 45 K HN 0.263 8.513 8.250 0.000 0.000 0.425 46 L N 4.223 125.474 121.223 0.047 0.000 2.410 46 L HA 0.127 4.466 4.340 -0.002 0.000 0.273 46 L C 0.149 176.954 176.870 -0.108 0.000 1.152 46 L CA 0.605 55.311 54.840 -0.224 0.000 0.855 46 L CB 0.196 41.928 42.059 -0.544 0.000 1.129 46 L HN 0.754 8.984 8.230 0.000 0.000 0.463 47 L N 4.917 126.064 121.223 -0.127 0.000 2.453 47 L HA 0.324 4.664 4.340 -0.002 0.000 0.190 47 L C 0.004 176.918 176.870 0.073 0.000 1.093 47 L CA -0.024 54.786 54.840 -0.051 0.000 0.834 47 L CB 0.105 42.079 42.059 -0.142 0.000 1.090 47 L HN 0.419 8.649 8.230 0.000 0.000 0.489 48 I N -0.025 120.601 120.570 0.093 0.000 2.509 48 I HA 0.291 4.460 4.170 -0.002 0.000 0.293 48 I C -1.142 175.081 176.117 0.176 0.000 1.020 48 I CA -0.601 60.804 61.300 0.176 0.000 1.088 48 I CB 1.757 39.901 38.000 0.241 0.000 1.267 48 I HN 0.045 8.255 8.210 0.000 0.000 0.430 49 Y N 2.264 122.588 120.300 0.041 0.000 2.536 49 Y HA 0.567 5.116 4.550 -0.002 0.000 0.347 49 Y C 0.641 176.568 175.900 0.044 0.000 1.000 49 Y CA -1.772 56.331 58.100 0.004 0.000 1.051 49 Y CB 1.432 39.885 38.460 -0.012 0.000 1.259 49 Y HN 0.665 8.945 8.280 0.000 0.000 0.468 50 S N 1.447 117.155 115.700 0.013 0.000 3.682 50 S HA -0.125 4.344 4.470 -0.002 0.000 0.354 50 S C 1.028 175.600 174.600 -0.046 0.000 1.034 50 S CA 1.337 59.512 58.200 -0.043 0.000 1.084 50 S CB -1.717 61.442 63.200 -0.070 0.000 0.903 50 S HN 2.638 10.948 8.310 0.000 0.000 0.470 51 A N 0.154 122.979 122.820 0.007 0.000 2.070 51 A HA -0.350 3.969 4.320 -0.002 0.000 0.231 51 A C 1.117 178.802 177.584 0.168 0.000 0.501 51 A CA 2.365 54.487 52.037 0.141 0.000 1.119 51 A CB -1.789 17.366 19.000 0.258 0.000 1.430 51 A HN 1.923 10.072 8.150 0.000 0.000 0.706 52 R N -0.666 119.854 120.500 0.033 0.000 2.563 52 R HA 0.479 4.818 4.340 -0.002 0.000 0.443 52 R C -0.066 176.182 176.300 -0.086 0.000 0.956 52 R CA 0.711 56.817 56.100 0.010 0.000 1.141 52 R CB -0.089 30.234 30.300 0.039 0.000 1.553 52 R HN 0.939 9.209 8.270 0.000 0.000 0.577 53 S N 0.645 116.195 115.700 -0.250 0.000 2.503 53 S HA 0.528 4.997 4.470 -0.002 0.000 0.301 53 S C -0.114 174.352 174.600 -0.222 0.000 1.087 53 S CA -0.916 57.081 58.200 -0.338 0.000 1.042 53 S CB 1.897 64.759 63.200 -0.563 0.000 1.043 53 S HN 0.165 8.475 8.310 0.000 0.000 0.489 54 L N 3.136 124.382 121.223 0.038 0.000 2.319 54 L HA 0.321 4.660 4.340 -0.002 0.000 0.280 54 L C 0.017 177.138 176.870 0.419 0.000 1.099 54 L CA -0.774 54.184 54.840 0.196 0.000 0.828 54 L CB 0.354 42.495 42.059 0.135 0.000 1.150 54 L HN 0.781 9.011 8.230 0.000 0.000 0.442 55 Y N 2.658 123.122 120.300 0.275 0.000 2.578 55 Y HA -0.066 4.483 4.550 -0.002 0.000 0.339 55 Y C 1.024 176.974 175.900 0.084 0.000 1.231 55 Y CA -0.241 57.958 58.100 0.165 0.000 1.461 55 Y CB 0.807 39.304 38.460 0.061 0.000 1.323 55 Y HN 0.581 8.861 8.280 0.000 0.000 0.590 56 S N 3.749 119.099 115.700 -0.584 0.000 2.784 56 S HA 0.117 4.586 4.470 -0.002 0.000 0.322 56 S C 0.868 175.255 174.600 -0.354 0.000 1.234 56 S CA 1.219 59.134 58.200 -0.475 0.000 1.064 56 S CB -0.343 62.500 63.200 -0.595 0.000 0.787 56 S HN 1.234 9.544 8.310 0.000 0.000 0.506 57 G N 2.077 110.790 108.800 -0.144 0.000 2.176 57 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.253 57 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.253 57 G C 0.099 174.998 174.900 -0.001 0.000 0.979 57 G CA -0.059 45.001 45.100 -0.068 0.000 0.641 57 G HN 0.741 9.031 8.290 0.000 0.000 0.530 58 V N 2.367 122.295 119.914 0.023 0.000 2.530 58 V HA 0.418 4.537 4.120 -0.002 0.000 0.282 58 V C -1.013 175.163 176.094 0.137 0.000 1.048 58 V CA -1.199 61.142 62.300 0.069 0.000 0.997 58 V CB 1.125 32.979 31.823 0.051 0.000 0.987 58 V HN 0.196 8.386 8.190 0.000 0.000 0.477 59 P HA 0.098 4.518 4.420 0.000 0.000 0.269 59 P C 0.839 178.276 177.300 0.228 0.000 1.215 59 P CA -0.122 63.109 63.100 0.217 0.000 0.780 59 P CB 0.484 32.333 31.700 0.248 0.000 0.898 60 S N 2.011 117.780 115.700 0.115 0.000 2.474 60 S HA -0.167 4.302 4.470 -0.002 0.000 0.235 60 S C 1.492 176.109 174.600 0.030 0.000 0.997 60 S CA 0.409 58.654 58.200 0.075 0.000 0.949 60 S CB -0.685 62.537 63.200 0.037 0.000 0.766 60 S HN 0.577 8.887 8.310 0.000 0.000 0.517 61 R N 0.051 120.532 120.500 -0.031 0.000 2.285 61 R HA 0.094 4.433 4.340 -0.002 0.000 0.213 61 R C -0.505 175.608 176.300 -0.310 0.000 1.068 61 R CA 0.383 56.372 56.100 -0.186 0.000 1.004 61 R CB -0.622 29.516 30.300 -0.270 0.000 0.873 61 R HN 0.398 8.668 8.270 0.000 0.000 0.467 62 F N 2.141 122.062 119.950 -0.047 0.000 2.411 62 F HA 0.262 4.789 4.527 -0.001 0.000 0.350 62 F C 0.598 176.355 175.800 -0.072 0.000 1.114 62 F CA -0.243 57.713 58.000 -0.073 0.000 1.135 62 F CB 1.518 40.501 39.000 -0.028 0.000 1.120 62 F HN 0.095 8.395 8.300 0.000 0.000 0.495 63 S N 1.861 117.587 115.700 0.043 0.000 2.627 63 S HA 0.959 5.428 4.470 -0.002 0.000 0.283 63 S C -0.656 173.912 174.600 -0.053 0.000 1.127 63 S CA -0.751 57.450 58.200 0.003 0.000 0.863 63 S CB 1.920 65.106 63.200 -0.024 0.000 1.121 63 S HN 0.882 9.192 8.310 0.000 0.000 0.479 64 G N -0.227 108.560 108.800 -0.021 0.000 2.591 64 G HA2 0.670 4.629 3.960 -0.002 0.000 0.306 64 G HA3 0.670 4.629 3.960 -0.002 0.000 0.306 64 G C -1.260 173.673 174.900 0.055 0.000 1.334 64 G CA -0.620 44.480 45.100 0.000 0.000 0.981 64 G HN 0.915 9.205 8.290 0.000 0.000 0.491 65 S N -0.209 115.549 115.700 0.095 0.000 2.588 65 S HA 0.655 5.124 4.470 -0.002 0.000 0.275 65 S C -0.844 173.832 174.600 0.127 0.000 1.130 65 S CA -0.791 57.461 58.200 0.087 0.000 0.855 65 S CB 1.840 65.055 63.200 0.024 0.000 1.116 65 S HN 0.633 8.943 8.310 0.000 0.000 0.472 66 R N 2.011 122.542 120.500 0.051 0.000 2.247 66 R HA 0.407 4.746 4.340 -0.002 0.000 0.329 66 R C -0.774 175.445 176.300 -0.135 0.000 1.014 66 R CA -0.131 55.913 56.100 -0.094 0.000 0.907 66 R CB 0.544 30.803 30.300 -0.068 0.000 1.146 66 R HN 0.528 8.798 8.270 0.000 0.000 0.499 67 S N 3.218 118.825 115.700 -0.155 0.000 4.120 67 S HA 0.223 4.692 4.470 -0.002 0.000 0.196 67 S C 0.936 175.444 174.600 -0.153 0.000 1.447 67 S CA 0.154 58.286 58.200 -0.114 0.000 0.939 67 S CB 0.567 63.729 63.200 -0.064 0.000 1.496 67 S HN 1.028 9.338 8.310 0.000 0.000 0.460 68 G N 3.117 111.821 108.800 -0.160 0.000 2.574 68 G HA2 -0.447 3.512 3.960 -0.002 0.000 0.301 68 G HA3 -0.447 3.512 3.960 -0.002 0.000 0.301 68 G C 1.265 176.020 174.900 -0.241 0.000 1.166 68 G CA 0.895 45.904 45.100 -0.151 0.000 0.971 68 G HN 0.845 9.135 8.290 0.000 0.000 0.542 69 T N -0.918 113.527 114.554 -0.181 0.000 2.951 69 T HA 0.162 4.511 4.350 -0.002 0.000 0.268 69 T C 0.765 175.282 174.700 -0.305 0.000 1.073 69 T CA 1.901 63.894 62.100 -0.179 0.000 1.134 69 T CB -0.149 68.682 68.868 -0.061 0.000 0.884 69 T HN 0.554 8.794 8.240 0.000 0.000 0.479 70 D N 0.706 120.939 120.400 -0.279 0.000 2.312 70 D HA 0.475 5.114 4.640 -0.002 0.000 0.248 70 D C -0.899 175.156 176.300 -0.409 0.000 1.086 70 D CA -0.325 53.559 54.000 -0.193 0.000 0.948 70 D CB 0.942 41.725 40.800 -0.028 0.000 1.162 70 D HN 0.292 8.662 8.370 0.000 0.000 0.446 71 F N -0.142 119.895 119.950 0.144 0.000 2.532 71 F HA 0.346 4.872 4.527 -0.002 0.000 0.321 71 F C 0.768 176.766 175.800 0.330 0.000 1.089 71 F CA -0.781 57.351 58.000 0.220 0.000 0.926 71 F CB 2.008 41.151 39.000 0.239 0.000 1.168 71 F HN 0.044 8.344 8.300 0.000 0.000 0.459 72 T N 1.211 116.009 114.554 0.407 0.000 2.887 72 T HA 0.637 4.986 4.350 -0.002 0.000 0.288 72 T C -1.181 173.463 174.700 -0.094 0.000 1.021 72 T CA -0.835 61.383 62.100 0.197 0.000 1.000 72 T CB 1.832 70.727 68.868 0.046 0.000 1.034 72 T HN 0.623 8.863 8.240 0.000 0.000 0.467 73 L N 2.229 123.106 121.223 -0.576 0.000 2.296 73 L HA 0.582 4.921 4.340 -0.002 0.000 0.286 73 L C -0.748 175.830 176.870 -0.487 0.000 1.023 73 L CA -0.418 53.865 54.840 -0.928 0.000 0.812 73 L CB 1.695 42.671 42.059 -1.805 0.000 1.223 73 L HN 0.914 9.144 8.230 0.000 0.000 0.421 74 T N 5.785 120.139 114.554 -0.333 0.000 2.824 74 T HA 0.551 4.900 4.350 -0.002 0.000 0.282 74 T C -0.244 174.290 174.700 -0.277 0.000 0.993 74 T CA -0.265 61.680 62.100 -0.259 0.000 0.967 74 T CB 1.549 70.312 68.868 -0.175 0.000 0.960 74 T HN 0.375 8.615 8.240 0.000 0.000 0.441 75 I N 2.958 123.319 120.570 -0.349 0.000 2.390 75 I HA 0.198 4.367 4.170 -0.002 0.000 0.283 75 I C 1.593 177.505 176.117 -0.342 0.000 1.016 75 I CA -0.560 60.452 61.300 -0.481 0.000 1.151 75 I CB 1.624 39.250 38.000 -0.623 0.000 1.293 75 I HN 0.761 8.971 8.210 0.000 0.000 0.458 76 S N 2.966 118.497 115.700 -0.283 0.000 2.382 76 S HA -0.071 4.398 4.470 -0.002 0.000 0.228 76 S C 0.900 175.402 174.600 -0.163 0.000 1.027 76 S CA 0.640 58.729 58.200 -0.186 0.000 0.991 76 S CB 0.071 63.185 63.200 -0.144 0.000 0.823 76 S HN 0.558 8.868 8.310 0.000 0.000 0.469 77 S N 0.377 115.964 115.700 -0.190 0.000 2.720 77 S HA 0.533 5.002 4.470 -0.002 0.000 0.278 77 S C -1.247 173.255 174.600 -0.165 0.000 1.172 77 S CA -0.794 57.322 58.200 -0.139 0.000 1.019 77 S CB 0.859 64.004 63.200 -0.091 0.000 1.049 77 S HN 0.342 8.652 8.310 0.000 0.000 0.483 78 L N 5.051 126.186 121.223 -0.147 0.000 2.410 78 L HA 0.439 4.778 4.340 -0.002 0.000 0.273 78 L C 0.227 177.091 176.870 -0.010 0.000 1.144 78 L CA 0.803 55.539 54.840 -0.173 0.000 0.863 78 L CB 0.758 42.673 42.059 -0.239 0.000 1.140 78 L HN 0.650 8.880 8.230 0.000 0.000 0.463 79 Q N 6.066 125.868 119.800 0.004 0.000 2.204 79 Q HA 0.389 4.728 4.340 -0.002 0.000 0.254 79 Q C -1.680 174.492 176.000 0.286 0.000 0.981 79 Q CA -1.992 53.880 55.803 0.116 0.000 0.897 79 Q CB 0.645 29.424 28.738 0.068 0.000 1.273 79 Q HN 0.343 8.613 8.270 0.000 0.000 0.464 80 P HA -0.174 4.246 4.420 0.000 0.000 0.218 80 P C 0.854 178.359 177.300 0.341 0.000 1.148 80 P CA 1.356 64.627 63.100 0.285 0.000 0.822 80 P CB 0.321 32.077 31.700 0.093 0.000 0.784 81 E N -0.663 119.682 120.200 0.242 0.000 2.435 81 E HA -0.109 4.240 4.350 -0.002 0.000 0.195 81 E C 0.584 177.338 176.600 0.257 0.000 1.029 81 E CA 0.795 57.322 56.400 0.213 0.000 0.865 81 E CB -0.789 29.002 29.700 0.153 0.000 0.833 81 E HN 0.234 8.594 8.360 0.000 0.000 0.510 82 D N 0.745 121.307 120.400 0.271 0.000 2.347 82 D HA -0.013 4.626 4.640 -0.002 0.000 0.215 82 D C -0.143 176.275 176.300 0.197 0.000 0.976 82 D CA 0.298 54.454 54.000 0.260 0.000 0.884 82 D CB -0.372 40.458 40.800 0.051 0.000 0.915 82 D HN 0.169 8.539 8.370 0.000 0.000 0.526 83 F N 1.080 121.145 119.950 0.192 0.000 2.490 83 F HA 0.370 4.896 4.527 -0.001 0.000 0.357 83 F C 0.980 176.868 175.800 0.148 0.000 1.166 83 F CA -0.247 57.858 58.000 0.174 0.000 1.116 83 F CB 0.294 39.354 39.000 0.100 0.000 1.171 83 F HN -0.140 8.160 8.300 0.000 0.000 0.576 84 A N 1.834 124.812 122.820 0.264 0.000 2.809 84 A HA 0.772 5.092 4.320 -0.002 0.000 0.310 84 A C -0.826 176.774 177.584 0.026 0.000 1.138 84 A CA -0.820 51.264 52.037 0.079 0.000 0.610 84 A CB 0.688 19.633 19.000 -0.091 0.000 1.432 84 A HN 0.262 8.412 8.150 0.000 0.000 0.597 85 T N 0.549 115.020 114.554 -0.138 0.000 2.855 85 T HA 0.668 5.017 4.350 -0.002 0.000 0.281 85 T C -1.567 172.943 174.700 -0.318 0.000 1.007 85 T CA 0.202 62.233 62.100 -0.115 0.000 1.009 85 T CB 0.632 69.470 68.868 -0.049 0.000 0.983 85 T HN 0.360 8.600 8.240 0.000 0.000 0.455 86 Y N 1.074 121.342 120.300 -0.052 0.000 2.409 86 Y HA 0.580 5.128 4.550 -0.002 0.000 0.343 86 Y C -0.778 175.144 175.900 0.037 0.000 0.973 86 Y CA -1.091 57.090 58.100 0.136 0.000 1.064 86 Y CB 1.500 40.083 38.460 0.205 0.000 1.207 86 Y HN 0.597 8.877 8.280 0.000 0.000 0.452 87 Y N 1.572 122.173 120.300 0.503 0.000 2.425 87 Y HA 0.523 5.073 4.550 -0.001 0.000 0.344 87 Y C -0.007 176.052 175.900 0.266 0.000 0.969 87 Y CA -1.359 56.961 58.100 0.367 0.000 1.052 87 Y CB 1.484 40.091 38.460 0.245 0.000 1.215 87 Y HN 0.787 9.067 8.280 0.000 0.000 0.451 88 c N 1.860 120.453 118.600 -0.011 0.000 2.364 88 c HA 0.773 5.342 4.570 -0.002 0.000 0.356 88 c C -0.441 173.589 174.090 -0.101 0.000 1.201 88 c CA -0.593 55.358 56.329 -0.629 0.000 2.227 88 c CB 1.103 42.875 42.510 -1.230 0.000 2.387 88 c HN 0.928 9.158 8.230 0.000 0.000 0.546 89 Q N 1.478 121.152 119.800 -0.209 0.000 2.323 89 Q HA 0.516 4.855 4.340 -0.002 0.000 0.271 89 Q C -1.325 174.530 176.000 -0.242 0.000 1.048 89 Q CA -0.156 55.514 55.803 -0.222 0.000 0.792 89 Q CB 1.675 30.352 28.738 -0.102 0.000 1.280 89 Q HN 0.933 9.203 8.270 0.000 0.000 0.441 90 Q N 2.337 122.002 119.800 -0.225 0.000 2.387 90 Q HA 0.439 4.778 4.340 -0.002 0.000 0.273 90 Q C -1.800 174.094 176.000 -0.177 0.000 1.089 90 Q CA -0.824 54.863 55.803 -0.194 0.000 0.824 90 Q CB 2.767 31.407 28.738 -0.164 0.000 1.367 90 Q HN 0.671 8.941 8.270 0.000 0.000 0.443 91 Y N 0.113 120.190 120.300 -0.370 0.000 2.386 91 Y HA 0.422 4.971 4.550 -0.002 0.000 0.334 91 Y C -1.212 174.468 175.900 -0.365 0.000 1.002 91 Y CA -0.557 57.189 58.100 -0.591 0.000 1.068 91 Y CB 1.990 39.983 38.460 -0.778 0.000 1.203 91 Y HN 0.573 8.853 8.280 0.000 0.000 0.443 92 S N 3.433 118.507 115.700 -1.044 0.000 2.429 92 S HA 0.271 4.740 4.470 -0.002 0.000 0.302 92 S C 0.433 174.394 174.600 -1.065 0.000 1.115 92 S CA -0.390 57.357 58.200 -0.754 0.000 1.095 92 S CB 1.026 64.028 63.200 -0.331 0.000 0.987 92 S HN 0.848 9.158 8.310 0.000 0.000 0.474 93 S N 4.014 119.256 115.700 -0.763 0.000 2.447 93 S HA -0.045 4.424 4.470 -0.002 0.000 0.233 93 S C 0.890 175.209 174.600 -0.467 0.000 1.006 93 S CA 1.042 58.892 58.200 -0.584 0.000 0.957 93 S CB -0.334 62.584 63.200 -0.469 0.000 0.773 93 S HN 0.868 9.178 8.310 0.000 0.000 0.507 94 Y N 1.776 121.937 120.300 -0.232 0.000 2.314 94 Y HA -0.003 4.546 4.550 -0.002 0.000 0.294 94 Y C 2.780 178.601 175.900 -0.131 0.000 1.119 94 Y CA 0.953 58.968 58.100 -0.141 0.000 1.179 94 Y CB -0.171 38.220 38.460 -0.114 0.000 1.025 94 Y HN 0.346 8.626 8.280 0.000 0.000 0.541 95 S N -3.033 112.643 115.700 -0.038 0.000 2.520 95 S HA 0.133 4.603 4.470 -0.002 0.000 0.219 95 S C 0.974 175.528 174.600 -0.077 0.000 1.028 95 S CA 0.275 58.446 58.200 -0.048 0.000 0.921 95 S CB 0.043 63.214 63.200 -0.048 0.000 0.844 95 S HN 0.161 8.471 8.310 0.000 0.000 0.495 96 S N 0.628 116.217 115.700 -0.186 0.000 3.521 96 S HA -0.106 4.363 4.470 -0.002 0.000 0.328 96 S C -0.378 174.218 174.600 -0.007 0.000 1.165 96 S CA 0.388 58.539 58.200 -0.081 0.000 0.941 96 S CB -1.541 61.714 63.200 0.092 0.000 0.951 96 S HN 0.507 8.817 8.310 0.000 0.000 0.539 97 L N 1.010 122.145 121.223 -0.147 0.000 2.325 97 L HA 0.705 5.044 4.340 -0.002 0.000 0.279 97 L C 0.034 176.828 176.870 -0.126 0.000 1.054 97 L CA 0.326 55.146 54.840 -0.033 0.000 0.804 97 L CB 0.588 42.625 42.059 -0.035 0.000 1.200 97 L HN 0.154 8.384 8.230 0.000 0.000 0.436 98 F N 0.792 120.742 119.950 0.001 0.000 2.425 98 F HA 0.660 5.186 4.527 -0.002 0.000 0.331 98 F C 0.400 176.106 175.800 -0.156 0.000 1.085 98 F CA -0.343 57.612 58.000 -0.074 0.000 1.028 98 F CB 2.019 40.944 39.000 -0.125 0.000 1.177 98 F HN 0.276 8.576 8.300 0.000 0.000 0.487 99 T N 3.103 117.609 114.554 -0.081 0.000 2.991 99 T HA 0.432 4.781 4.350 -0.002 0.000 0.303 99 T C -1.110 173.460 174.700 -0.218 0.000 1.015 99 T CA -0.603 61.442 62.100 -0.093 0.000 1.007 99 T CB 0.601 69.448 68.868 -0.035 0.000 1.034 99 T HN 0.149 8.389 8.240 0.000 0.000 0.446 100 F N 1.767 121.743 119.950 0.044 0.000 2.404 100 F HA 0.578 5.104 4.527 -0.002 0.000 0.345 100 F C 1.422 177.272 175.800 0.084 0.000 1.110 100 F CA -0.380 57.648 58.000 0.046 0.000 1.130 100 F CB 1.001 39.993 39.000 -0.013 0.000 1.129 100 F HN 0.707 9.007 8.300 0.000 0.000 0.500 101 G N 1.446 110.407 108.800 0.269 0.000 2.611 101 G HA2 0.023 3.982 3.960 -0.002 0.000 0.273 101 G HA3 0.023 3.982 3.960 -0.002 0.000 0.273 101 G C 0.666 175.728 174.900 0.270 0.000 1.305 101 G CA -0.369 44.854 45.100 0.205 0.000 1.010 101 G HN 0.759 9.049 8.290 0.000 0.000 0.509 102 Q N -0.655 119.255 119.800 0.183 0.000 2.112 102 Q HA 0.079 4.418 4.340 -0.002 0.000 0.206 102 Q C 1.174 177.244 176.000 0.116 0.000 0.987 102 Q CA 1.449 57.346 55.803 0.157 0.000 0.858 102 Q CB -0.417 28.384 28.738 0.104 0.000 0.905 102 Q HN 1.463 9.733 8.270 0.000 0.000 0.420 103 G N -0.301 108.487 108.800 -0.019 0.000 3.209 103 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.686 103 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.686 103 G C -0.760 174.028 174.900 -0.185 0.000 1.065 103 G CA -0.198 44.624 45.100 -0.463 0.000 0.812 103 G HN 0.177 8.467 8.290 0.000 0.000 0.573 104 T N 3.085 117.573 114.554 -0.111 0.000 2.786 104 T HA 0.518 4.867 4.350 -0.002 0.000 0.283 104 T C 0.209 174.958 174.700 0.082 0.000 0.992 104 T CA -0.589 61.533 62.100 0.037 0.000 0.954 104 T CB 1.659 70.593 68.868 0.110 0.000 0.934 104 T HN 0.617 8.857 8.240 0.000 0.000 0.440 105 K N 3.771 124.221 120.400 0.084 0.000 2.264 105 K HA 0.440 4.759 4.320 -0.002 0.000 0.277 105 K C -0.716 175.990 176.600 0.177 0.000 1.067 105 K CA -0.469 55.896 56.287 0.130 0.000 0.900 105 K CB 0.594 33.161 32.500 0.112 0.000 1.124 105 K HN 0.359 8.609 8.250 0.000 0.000 0.469 106 V N 5.168 125.219 119.914 0.228 0.000 2.408 106 V HA 0.097 4.217 4.120 -0.002 0.000 0.267 106 V C 0.087 176.410 176.094 0.382 0.000 1.047 106 V CA -0.450 61.982 62.300 0.221 0.000 0.937 106 V CB 0.731 32.593 31.823 0.065 0.000 0.999 106 V HN 0.815 9.005 8.190 0.000 0.000 0.472 107 E N 5.247 125.690 120.200 0.406 0.000 2.249 107 E HA 0.723 5.072 4.350 -0.002 0.000 0.263 107 E C -0.897 175.954 176.600 0.418 0.000 0.950 107 E CA -0.978 55.677 56.400 0.424 0.000 0.827 107 E CB 1.651 31.570 29.700 0.366 0.000 1.220 107 E HN 0.493 8.853 8.360 0.000 0.000 0.411 108 I N 1.254 121.858 120.570 0.058 0.000 2.325 108 I HA 0.222 4.391 4.170 -0.002 0.000 0.291 108 I C 0.451 176.493 176.117 -0.125 0.000 1.019 108 I CA -0.734 60.406 61.300 -0.265 0.000 1.302 108 I CB 0.779 38.356 38.000 -0.704 0.000 1.401 108 I HN 0.426 8.636 8.210 0.000 0.000 0.485 109 K N 6.655 127.046 120.400 -0.014 0.000 2.350 109 K HA 0.385 4.704 4.320 -0.002 0.000 0.279 109 K C -0.293 176.157 176.600 -0.251 0.000 1.027 109 K CA -0.237 56.045 56.287 -0.008 0.000 0.969 109 K CB 0.624 33.192 32.500 0.113 0.000 0.954 109 K HN 0.731 8.981 8.250 0.000 0.000 0.474 110 R N 0.055 120.287 120.500 -0.447 0.000 2.781 110 R HA 0.244 4.583 4.340 -0.002 0.000 0.268 110 R C -1.122 175.112 176.300 -0.110 0.000 1.047 110 R CA -0.929 54.971 56.100 -0.333 0.000 0.925 110 R CB -0.119 29.916 30.300 -0.441 0.000 1.246 110 R HN 0.534 8.804 8.270 0.000 0.000 0.456 111 T N -0.974 113.563 114.554 -0.029 0.000 2.930 111 T HA 0.287 4.636 4.350 -0.002 0.000 0.306 111 T C 0.771 175.584 174.700 0.187 0.000 1.045 111 T CA -0.374 61.773 62.100 0.078 0.000 1.134 111 T CB 0.693 69.588 68.868 0.044 0.000 0.961 111 T HN 1.001 9.241 8.240 0.000 0.000 0.545 112 V N 0.922 120.971 119.914 0.226 0.000 2.540 112 V HA 0.566 4.685 4.120 -0.002 0.000 0.297 112 V C 0.200 176.447 176.094 0.255 0.000 1.024 112 V CA -0.335 62.138 62.300 0.287 0.000 1.105 112 V CB -0.816 31.102 31.823 0.158 0.000 0.938 112 V HN 1.325 9.515 8.190 0.000 0.000 0.482 113 A N 5.433 128.461 122.820 0.347 0.000 2.335 113 A HA 0.900 5.220 4.320 -0.002 0.000 0.304 113 A C 0.279 178.033 177.584 0.283 0.000 1.118 113 A CA -0.247 51.944 52.037 0.257 0.000 0.757 113 A CB 1.085 20.203 19.000 0.196 0.000 1.188 113 A HN 2.210 10.360 8.150 0.000 0.000 0.460 114 A N 4.169 127.104 122.820 0.192 0.000 2.425 114 A HA 0.665 4.984 4.320 -0.002 0.000 0.242 114 A C -2.203 175.371 177.584 -0.015 0.000 1.077 114 A CA -1.024 51.075 52.037 0.103 0.000 0.781 114 A CB -0.347 18.706 19.000 0.088 0.000 1.020 114 A HN 0.608 8.758 8.150 0.000 0.000 0.494 115 P HA 0.267 4.687 4.420 0.000 0.000 0.281 115 P C -0.662 176.542 177.300 -0.160 0.000 1.249 115 P CA -0.361 62.667 63.100 -0.120 0.000 0.810 115 P CB 1.022 32.512 31.700 -0.349 0.000 1.008 116 S N 0.470 116.050 115.700 -0.199 0.000 2.489 116 S HA 0.301 4.770 4.470 -0.002 0.000 0.277 116 S C 0.108 174.309 174.600 -0.666 0.000 1.230 116 S CA -0.554 57.394 58.200 -0.420 0.000 1.053 116 S CB 0.317 63.238 63.200 -0.464 0.000 0.955 116 S HN 0.192 8.502 8.310 0.000 0.000 0.488 117 V N 5.276 124.819 119.914 -0.618 0.000 2.347 117 V HA 0.503 4.622 4.120 -0.002 0.000 0.280 117 V C -0.901 174.922 176.094 -0.453 0.000 1.021 117 V CA -0.488 61.529 62.300 -0.473 0.000 0.847 117 V CB 0.147 31.817 31.823 -0.254 0.000 0.990 117 V HN 0.677 8.867 8.190 0.000 0.000 0.444 118 F N 4.615 124.539 119.950 -0.043 0.000 2.538 118 F HA 0.700 5.229 4.527 0.003 0.000 0.325 118 F C -0.043 175.670 175.800 -0.144 0.000 1.066 118 F CA -1.523 56.396 58.000 -0.135 0.000 0.946 118 F CB 1.759 40.647 39.000 -0.186 0.000 1.199 118 F HN 0.269 8.569 8.300 0.000 0.000 0.473 119 I N 1.472 122.009 120.570 -0.056 0.000 2.608 119 I HA 0.561 4.730 4.170 -0.002 0.000 0.295 119 I C -1.806 174.129 176.117 -0.304 0.000 1.049 119 I CA -0.720 60.590 61.300 0.017 0.000 1.063 119 I CB 1.791 39.918 38.000 0.212 0.000 1.248 119 I HN 0.405 8.615 8.210 0.000 0.000 0.424 120 F N 6.868 126.903 119.950 0.143 0.000 2.507 120 F HA 0.527 5.054 4.527 -0.001 0.000 0.328 120 F C -2.269 173.457 175.800 -0.123 0.000 1.136 120 F CA -2.067 55.923 58.000 -0.016 0.000 0.930 120 F CB 1.338 40.346 39.000 0.013 0.000 1.166 120 F HN 0.222 8.522 8.300 0.000 0.000 0.436 121 P HA 0.141 4.561 4.420 0.000 0.000 0.272 121 P C -2.514 174.698 177.300 -0.147 0.000 1.240 121 P CA -1.054 61.758 63.100 -0.480 0.000 0.791 121 P CB -0.115 31.144 31.700 -0.736 0.000 0.978 122 P HA 0.042 4.462 4.420 0.000 0.000 0.275 122 P C -0.230 176.988 177.300 -0.136 0.000 1.227 122 P CA -0.035 62.958 63.100 -0.179 0.000 0.781 122 P CB 0.299 31.781 31.700 -0.364 0.000 0.906 123 S N 1.392 117.029 115.700 -0.106 0.000 2.573 123 S HA 0.024 4.494 4.470 -0.002 0.000 0.277 123 S C 0.784 175.337 174.600 -0.077 0.000 1.346 123 S CA -0.112 58.041 58.200 -0.078 0.000 1.034 123 S CB 0.161 63.319 63.200 -0.069 0.000 0.879 123 S HN 0.306 8.616 8.310 0.000 0.000 0.528 124 D N 1.188 121.558 120.400 -0.050 0.000 2.149 124 D HA -0.118 4.521 4.640 -0.002 0.000 0.198 124 D C 1.729 178.005 176.300 -0.040 0.000 0.990 124 D CA 1.675 55.653 54.000 -0.036 0.000 0.839 124 D CB -0.373 40.416 40.800 -0.018 0.000 0.948 124 D HN 0.879 9.249 8.370 0.000 0.000 0.460 125 E N 0.282 120.457 120.200 -0.041 0.000 2.070 125 E HA -0.265 4.084 4.350 -0.002 0.000 0.197 125 E C 2.003 178.574 176.600 -0.048 0.000 1.004 125 E CA 1.151 57.528 56.400 -0.039 0.000 0.805 125 E CB 0.032 29.708 29.700 -0.039 0.000 0.744 125 E HN 0.284 8.644 8.360 0.000 0.000 0.451 126 Q N -0.215 119.546 119.800 -0.066 0.000 2.123 126 Q HA -0.153 4.186 4.340 -0.002 0.000 0.199 126 Q C 2.149 178.098 176.000 -0.085 0.000 0.966 126 Q CA 0.661 56.418 55.803 -0.078 0.000 0.845 126 Q CB 0.079 28.757 28.738 -0.099 0.000 0.907 126 Q HN 0.242 8.512 8.270 0.000 0.000 0.439 127 L N 1.070 122.236 121.223 -0.094 0.000 2.131 127 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 127 L C 1.890 178.737 176.870 -0.039 0.000 1.092 127 L CA 1.754 56.543 54.840 -0.085 0.000 0.759 127 L CB -0.307 41.708 42.059 -0.073 0.000 0.903 127 L HN 0.095 8.325 8.230 0.000 0.000 0.435 128 K N -1.327 119.055 120.400 -0.031 0.000 2.366 128 K HA -0.017 4.302 4.320 -0.002 0.000 0.198 128 K C 1.983 178.572 176.600 -0.019 0.000 1.044 128 K CA 0.949 57.226 56.287 -0.017 0.000 0.973 128 K CB 0.019 32.510 32.500 -0.015 0.000 0.767 128 K HN 0.382 8.632 8.250 0.000 0.000 0.475 129 S N -0.848 114.835 115.700 -0.028 0.000 2.558 129 S HA 0.087 4.556 4.470 -0.002 0.000 0.217 129 S C 1.320 175.907 174.600 -0.023 0.000 0.975 129 S CA 0.422 58.606 58.200 -0.026 0.000 0.912 129 S CB 0.316 63.496 63.200 -0.032 0.000 0.776 129 S HN 0.363 8.673 8.310 0.000 0.000 0.526 130 G N -0.091 108.695 108.800 -0.023 0.000 2.132 130 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.234 130 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.234 130 G C 0.077 174.963 174.900 -0.023 0.000 0.989 130 G CA 0.179 45.271 45.100 -0.013 0.000 0.676 130 G HN 0.683 8.973 8.290 0.000 0.000 0.522 131 T N -0.151 114.372 114.554 -0.052 0.000 2.916 131 T HA 0.816 5.165 4.350 -0.002 0.000 0.292 131 T C -0.261 174.353 174.700 -0.144 0.000 1.055 131 T CA 0.311 62.368 62.100 -0.072 0.000 1.009 131 T CB 2.075 70.906 68.868 -0.062 0.000 1.118 131 T HN 1.541 9.781 8.240 0.000 0.000 0.497 132 A N 1.668 124.380 122.820 -0.181 0.000 2.411 132 A HA 0.692 5.011 4.320 -0.002 0.000 0.285 132 A C -0.426 177.009 177.584 -0.249 0.000 1.129 132 A CA -0.649 51.182 52.037 -0.342 0.000 0.736 132 A CB 1.013 19.639 19.000 -0.623 0.000 1.186 132 A HN 0.611 8.761 8.150 0.000 0.000 0.445 133 S N 1.076 116.646 115.700 -0.217 0.000 2.437 133 S HA 0.590 5.059 4.470 -0.002 0.000 0.305 133 S C -0.206 174.320 174.600 -0.123 0.000 1.109 133 S CA -0.474 57.633 58.200 -0.154 0.000 1.099 133 S CB 1.410 64.548 63.200 -0.103 0.000 1.004 133 S HN 0.613 8.923 8.310 0.000 0.000 0.475 134 V N 3.885 123.729 119.914 -0.115 0.000 2.435 134 V HA 0.510 4.629 4.120 -0.002 0.000 0.290 134 V C -0.274 175.888 176.094 0.114 0.000 1.030 134 V CA -0.670 61.656 62.300 0.042 0.000 0.881 134 V CB 1.631 33.513 31.823 0.098 0.000 0.983 134 V HN 0.644 8.834 8.190 0.000 0.000 0.445 135 V N 3.786 123.896 119.914 0.327 0.000 2.459 135 V HA 0.413 4.532 4.120 -0.002 0.000 0.295 135 V C -0.218 176.247 176.094 0.618 0.000 1.029 135 V CA -0.474 62.084 62.300 0.430 0.000 0.874 135 V CB 1.774 33.769 31.823 0.287 0.000 0.985 135 V HN 1.028 9.218 8.190 0.000 0.000 0.438 136 c N 7.167 126.136 118.600 0.615 0.000 2.322 136 c HA 0.808 5.377 4.570 -0.002 0.000 0.324 136 c C -0.614 173.645 174.090 0.282 0.000 1.284 136 c CA -0.603 55.951 56.329 0.375 0.000 1.606 136 c CB 0.466 43.017 42.510 0.069 0.000 2.251 136 c HN 0.824 9.054 8.230 0.000 0.000 0.502 137 L N 6.759 128.137 121.223 0.258 0.000 2.322 137 L HA 0.806 5.145 4.340 -0.002 0.000 0.281 137 L C -1.313 175.597 176.870 0.067 0.000 1.014 137 L CA -0.256 54.728 54.840 0.241 0.000 0.815 137 L CB 1.464 43.780 42.059 0.429 0.000 1.247 137 L HN 0.591 8.821 8.230 0.000 0.000 0.421 138 L N 5.256 126.532 121.223 0.090 0.000 2.316 138 L HA 0.542 4.881 4.340 -0.002 0.000 0.280 138 L C -0.388 176.624 176.870 0.238 0.000 1.006 138 L CA -0.097 54.765 54.840 0.036 0.000 0.836 138 L CB 1.101 43.107 42.059 -0.090 0.000 1.221 138 L HN 0.577 8.807 8.230 0.000 0.000 0.418 139 N N 3.661 122.418 118.700 0.095 0.000 2.421 139 N HA 0.332 5.072 4.740 -0.002 0.000 0.285 139 N C -0.540 175.060 175.510 0.150 0.000 1.027 139 N CA -0.308 52.819 53.050 0.129 0.000 0.918 139 N CB 1.022 39.562 38.487 0.088 0.000 1.152 139 N HN 0.430 8.810 8.380 0.000 0.000 0.485 140 N N 1.440 120.178 118.700 0.063 0.000 2.671 140 N HA -0.227 4.512 4.740 -0.002 0.000 0.261 140 N C -1.028 174.517 175.510 0.058 0.000 1.053 140 N CA 0.777 53.822 53.050 -0.008 0.000 0.732 140 N CB -1.722 36.774 38.487 0.016 0.000 0.887 140 N HN 0.439 8.819 8.380 0.000 0.000 0.546 141 F N -1.403 118.564 119.950 0.029 0.000 2.556 141 F HA 0.828 5.353 4.527 -0.003 0.000 0.327 141 F C -0.353 175.592 175.800 0.241 0.000 1.059 141 F CA -1.420 56.578 58.000 -0.003 0.000 0.953 141 F CB 1.332 40.133 39.000 -0.333 0.000 1.227 141 F HN 0.049 8.349 8.300 0.000 0.000 0.478 142 Y N 2.391 122.910 120.300 0.365 0.000 2.513 142 Y HA 0.560 5.107 4.550 -0.006 0.000 0.340 142 Y C -2.902 173.290 175.900 0.487 0.000 1.055 142 Y CA -2.347 55.988 58.100 0.392 0.000 1.020 142 Y CB 2.630 41.218 38.460 0.214 0.000 1.301 142 Y HN 0.509 8.789 8.280 0.000 0.000 0.453 143 P HA 0.163 4.583 4.420 0.000 0.000 0.289 143 P C 0.178 177.453 177.300 -0.041 0.000 1.299 143 P CA -0.160 62.420 63.100 -0.867 0.000 0.766 143 P CB 0.941 32.139 31.700 -0.836 0.000 1.226 144 R N -0.372 119.941 120.500 -0.313 0.000 2.241 144 R HA -0.112 4.227 4.340 -0.002 0.000 0.224 144 R C -0.137 176.183 176.300 0.034 0.000 1.101 144 R CA 1.100 56.956 56.100 -0.408 0.000 0.995 144 R CB -0.169 29.546 30.300 -0.975 0.000 0.870 144 R HN 0.475 8.745 8.270 0.000 0.000 0.463 145 E N 0.167 120.374 120.200 0.013 0.000 2.152 145 E HA 0.357 4.706 4.350 -0.002 0.000 0.285 145 E C -1.014 175.631 176.600 0.073 0.000 1.043 145 E CA -0.054 56.352 56.400 0.009 0.000 0.839 145 E CB 1.700 31.363 29.700 -0.062 0.000 1.069 145 E HN 0.327 8.687 8.360 0.000 0.000 0.399 146 A N 3.547 126.372 122.820 0.008 0.000 2.587 146 A HA 0.693 5.012 4.320 -0.002 0.000 0.293 146 A C -1.171 176.360 177.584 -0.087 0.000 1.087 146 A CA -0.849 51.143 52.037 -0.076 0.000 0.692 146 A CB 1.602 20.392 19.000 -0.352 0.000 1.291 146 A HN 0.427 8.577 8.150 0.000 0.000 0.407 147 K N 0.882 121.219 120.400 -0.105 0.000 2.376 147 K HA 0.652 4.971 4.320 -0.002 0.000 0.257 147 K C -1.836 174.686 176.600 -0.131 0.000 0.939 147 K CA -0.425 55.808 56.287 -0.090 0.000 0.809 147 K CB 1.902 34.360 32.500 -0.069 0.000 1.121 147 K HN 0.449 8.699 8.250 0.000 0.000 0.425 148 V N 4.483 124.321 119.914 -0.125 0.000 2.350 148 V HA 0.279 4.398 4.120 -0.002 0.000 0.285 148 V C -0.720 175.258 176.094 -0.193 0.000 1.014 148 V CA -0.736 61.439 62.300 -0.208 0.000 0.831 148 V CB 1.385 33.082 31.823 -0.211 0.000 1.000 148 V HN 0.780 8.970 8.190 0.000 0.000 0.433 149 Q N 3.172 122.834 119.800 -0.231 0.000 2.322 149 Q HA 0.434 4.773 4.340 -0.002 0.000 0.265 149 Q C -1.321 174.550 176.000 -0.216 0.000 0.985 149 Q CA -0.393 55.327 55.803 -0.138 0.000 0.849 149 Q CB 1.933 30.627 28.738 -0.073 0.000 1.274 149 Q HN 0.715 8.985 8.270 0.000 0.000 0.449 150 W N 2.642 123.944 121.300 0.003 0.000 2.313 150 W HA 0.391 5.053 4.660 0.004 0.000 0.328 150 W C 0.048 176.549 176.519 -0.030 0.000 1.197 150 W CA -0.290 57.060 57.345 0.008 0.000 1.235 150 W CB 0.930 30.412 29.460 0.037 0.000 1.158 150 W HN 0.206 8.386 8.180 0.000 0.000 0.578 151 K N 2.058 122.591 120.400 0.220 0.000 2.443 151 K HA 0.569 4.888 4.320 -0.002 0.000 0.252 151 K C -1.580 174.988 176.600 -0.053 0.000 0.933 151 K CA -0.981 55.331 56.287 0.041 0.000 0.792 151 K CB 2.458 34.945 32.500 -0.022 0.000 1.185 151 K HN 0.154 8.404 8.250 0.000 0.000 0.425 152 V N 3.216 123.014 119.914 -0.193 0.000 2.380 152 V HA 0.102 4.221 4.120 -0.002 0.000 0.286 152 V C -0.643 175.195 176.094 -0.426 0.000 1.015 152 V CA -0.746 61.280 62.300 -0.458 0.000 0.834 152 V CB 1.260 32.766 31.823 -0.529 0.000 1.009 152 V HN 0.863 9.053 8.190 0.000 0.000 0.428 153 D N 3.826 124.001 120.400 -0.376 0.000 2.686 153 D HA -0.234 4.405 4.640 -0.002 0.000 0.235 153 D C 0.772 176.978 176.300 -0.156 0.000 1.160 153 D CA 1.371 55.239 54.000 -0.221 0.000 0.645 153 D CB -1.067 39.638 40.800 -0.158 0.000 1.039 153 D HN 0.999 9.369 8.370 0.000 0.000 0.423 154 N N -2.470 116.145 118.700 -0.141 0.000 2.741 154 N HA -0.251 4.488 4.740 -0.002 0.000 0.251 154 N C -0.148 175.310 175.510 -0.086 0.000 1.112 154 N CA 0.984 53.977 53.050 -0.095 0.000 0.750 154 N CB -0.550 37.895 38.487 -0.070 0.000 1.119 154 N HN 0.545 8.925 8.380 0.000 0.000 0.561 155 A N 0.558 123.309 122.820 -0.116 0.000 2.260 155 A HA 0.577 4.896 4.320 -0.002 0.000 0.308 155 A C 0.361 177.908 177.584 -0.062 0.000 1.254 155 A CA -0.474 51.508 52.037 -0.092 0.000 0.874 155 A CB 0.566 19.491 19.000 -0.126 0.000 1.153 155 A HN 0.265 8.415 8.150 0.000 0.000 0.527 156 L N 3.019 124.224 121.223 -0.031 0.000 2.410 156 L HA 0.132 4.471 4.340 -0.002 0.000 0.273 156 L C 0.366 177.247 176.870 0.018 0.000 1.152 156 L CA -0.287 54.553 54.840 0.000 0.000 0.855 156 L CB 0.393 42.451 42.059 -0.001 0.000 1.129 156 L HN 0.672 8.902 8.230 0.000 0.000 0.463 157 Q N 2.177 122.016 119.800 0.065 0.000 2.205 157 Q HA 0.585 4.924 4.340 -0.002 0.000 0.249 157 Q C -0.597 175.455 176.000 0.087 0.000 0.948 157 Q CA -0.304 55.546 55.803 0.077 0.000 0.895 157 Q CB 2.235 31.051 28.738 0.130 0.000 1.249 157 Q HN 0.623 8.893 8.270 0.000 0.000 0.458 158 S N -1.569 114.170 115.700 0.064 0.000 2.543 158 S HA 0.516 4.985 4.470 -0.002 0.000 0.274 158 S C -0.027 174.600 174.600 0.044 0.000 1.149 158 S CA 0.393 58.631 58.200 0.063 0.000 0.866 158 S CB 1.063 64.291 63.200 0.047 0.000 1.111 158 S HN 0.907 9.217 8.310 0.000 0.000 0.457 159 G N 3.221 112.049 108.800 0.046 0.000 2.155 159 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.257 159 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.257 159 G C 0.044 174.956 174.900 0.019 0.000 0.983 159 G CA 0.728 45.846 45.100 0.031 0.000 0.676 159 G HN 1.274 9.564 8.290 0.000 0.000 0.528 160 N N -1.238 117.469 118.700 0.012 0.000 2.365 160 N HA 0.417 5.156 4.740 -0.002 0.000 0.257 160 N C 0.157 175.631 175.510 -0.061 0.000 1.287 160 N CA 0.189 53.227 53.050 -0.021 0.000 0.882 160 N CB 0.896 39.367 38.487 -0.027 0.000 1.250 160 N HN 0.672 9.052 8.380 0.000 0.000 0.507 161 S N -0.549 115.142 115.700 -0.014 0.000 2.588 161 S HA 0.519 4.988 4.470 -0.002 0.000 0.275 161 S C -1.287 173.350 174.600 0.062 0.000 1.130 161 S CA -0.642 57.551 58.200 -0.011 0.000 0.855 161 S CB 2.766 65.981 63.200 0.025 0.000 1.116 161 S HN 0.149 8.459 8.310 0.000 0.000 0.472 162 Q N 0.044 119.894 119.800 0.084 0.000 2.359 162 Q HA 0.570 4.909 4.340 -0.002 0.000 0.274 162 Q C -1.708 174.369 176.000 0.128 0.000 1.074 162 Q CA -0.291 55.566 55.803 0.091 0.000 0.810 162 Q CB 2.354 31.125 28.738 0.055 0.000 1.342 162 Q HN 0.792 9.062 8.270 0.000 0.000 0.427 163 E N 0.740 121.008 120.200 0.115 0.000 2.222 163 E HA 0.681 5.030 4.350 -0.002 0.000 0.267 163 E C -1.524 175.137 176.600 0.102 0.000 0.884 163 E CA -0.506 55.968 56.400 0.123 0.000 0.764 163 E CB 2.183 31.951 29.700 0.114 0.000 1.169 163 E HN 0.406 8.766 8.360 0.000 0.000 0.413 164 S N 1.725 117.492 115.700 0.112 0.000 2.546 164 S HA 0.594 5.063 4.470 -0.002 0.000 0.274 164 S C -1.471 173.202 174.600 0.122 0.000 1.121 164 S CA -0.566 57.695 58.200 0.102 0.000 0.887 164 S CB 1.474 64.727 63.200 0.089 0.000 1.094 164 S HN 0.212 8.522 8.310 0.000 0.000 0.474 165 V N 3.243 123.228 119.914 0.118 0.000 2.735 165 V HA 0.602 4.721 4.120 -0.002 0.000 0.310 165 V C 0.365 176.540 176.094 0.134 0.000 1.061 165 V CA -0.777 61.609 62.300 0.143 0.000 0.913 165 V CB 2.101 34.003 31.823 0.132 0.000 1.005 165 V HN 1.032 9.222 8.190 0.000 0.000 0.428 166 T N 0.399 115.037 114.554 0.141 0.000 2.874 166 T HA 0.458 4.807 4.350 -0.002 0.000 0.281 166 T C -0.046 174.747 174.700 0.155 0.000 0.994 166 T CA -0.722 61.443 62.100 0.108 0.000 1.015 166 T CB 1.020 69.921 68.868 0.054 0.000 1.028 166 T HN 0.544 8.784 8.240 0.000 0.000 0.523 167 E N 1.052 121.305 120.200 0.089 0.000 2.418 167 E HA 0.000 4.349 4.350 -0.002 0.000 0.261 167 E C 0.270 176.811 176.600 -0.099 0.000 1.070 167 E CA -0.010 56.433 56.400 0.072 0.000 0.931 167 E CB 0.370 30.091 29.700 0.034 0.000 0.954 167 E HN 0.729 9.089 8.360 0.000 0.000 0.439 168 Q N 1.911 121.562 119.800 -0.247 0.000 2.264 168 Q HA -0.118 4.221 4.340 -0.002 0.000 0.296 168 Q C -0.562 175.227 176.000 -0.351 0.000 1.103 168 Q CA 0.206 55.608 55.803 -0.668 0.000 0.967 168 Q CB 0.223 28.634 28.738 -0.544 0.000 1.090 168 Q HN 0.328 8.598 8.270 0.000 0.000 0.379 169 D N 1.831 122.020 120.400 -0.352 0.000 2.487 169 D HA -0.083 4.556 4.640 -0.002 0.000 0.243 169 D C 0.962 177.152 176.300 -0.183 0.000 1.154 169 D CA 0.684 54.559 54.000 -0.208 0.000 0.876 169 D CB 0.808 41.499 40.800 -0.180 0.000 1.161 169 D HN 0.592 8.962 8.370 0.000 0.000 0.478 170 S N 3.369 118.995 115.700 -0.124 0.000 2.474 170 S HA -0.116 4.353 4.470 -0.002 0.000 0.235 170 S C 1.358 175.893 174.600 -0.108 0.000 0.997 170 S CA 0.622 58.758 58.200 -0.107 0.000 0.949 170 S CB 0.023 63.186 63.200 -0.060 0.000 0.766 170 S HN 0.511 8.821 8.310 0.000 0.000 0.517 171 K N 0.835 121.174 120.400 -0.102 0.000 2.214 171 K HA 0.058 4.377 4.320 -0.002 0.000 0.201 171 K C 1.009 177.545 176.600 -0.106 0.000 1.049 171 K CA 1.199 57.432 56.287 -0.089 0.000 0.978 171 K CB 0.018 32.481 32.500 -0.062 0.000 0.842 171 K HN 0.597 8.847 8.250 0.000 0.000 0.474 172 D N -1.324 119.004 120.400 -0.121 0.000 2.433 172 D HA 0.063 4.702 4.640 -0.002 0.000 0.211 172 D C -0.030 176.163 176.300 -0.179 0.000 1.114 172 D CA -0.030 53.895 54.000 -0.126 0.000 0.837 172 D CB 0.633 41.379 40.800 -0.089 0.000 0.984 172 D HN -0.153 8.217 8.370 0.000 0.000 0.505 173 S N -0.804 114.758 115.700 -0.230 0.000 3.476 173 S HA -0.174 4.295 4.470 -0.002 0.000 0.309 173 S C 0.488 174.894 174.600 -0.323 0.000 1.222 173 S CA 1.050 59.061 58.200 -0.314 0.000 0.922 173 S CB -2.558 60.427 63.200 -0.359 0.000 1.023 173 S HN 0.861 9.171 8.310 0.000 0.000 0.591 174 T N -1.341 113.046 114.554 -0.278 0.000 2.936 174 T HA 0.773 5.122 4.350 -0.002 0.000 0.282 174 T C -0.373 174.051 174.700 -0.460 0.000 1.003 174 T CA -0.634 61.337 62.100 -0.214 0.000 1.005 174 T CB 1.177 69.972 68.868 -0.120 0.000 1.097 174 T HN 0.154 8.394 8.240 0.000 0.000 0.532 175 Y N -0.592 119.442 120.300 -0.443 0.000 2.549 175 Y HA 0.669 5.216 4.550 -0.004 0.000 0.339 175 Y C 0.603 175.979 175.900 -0.873 0.000 1.053 175 Y CA -0.849 56.883 58.100 -0.613 0.000 1.105 175 Y CB 2.539 40.589 38.460 -0.683 0.000 1.258 175 Y HN 0.737 9.017 8.280 0.000 0.000 0.478 176 S N 1.634 117.183 115.700 -0.251 0.000 2.568 176 S HA 0.723 5.192 4.470 -0.002 0.000 0.293 176 S C -1.703 173.025 174.600 0.214 0.000 1.089 176 S CA -0.755 57.441 58.200 -0.006 0.000 0.945 176 S CB 1.551 64.783 63.200 0.054 0.000 1.077 176 S HN 0.549 8.859 8.310 0.000 0.000 0.485 177 L N 1.940 123.399 121.223 0.395 0.000 2.436 177 L HA 0.714 5.053 4.340 -0.002 0.000 0.268 177 L C -0.830 176.174 176.870 0.224 0.000 0.974 177 L CA -0.117 54.912 54.840 0.316 0.000 0.826 177 L CB 1.998 44.279 42.059 0.369 0.000 1.291 177 L HN 0.659 8.889 8.230 0.000 0.000 0.406 178 S N 2.691 118.504 115.700 0.188 0.000 2.482 178 S HA 0.737 5.207 4.470 -0.002 0.000 0.303 178 S C -0.978 173.738 174.600 0.194 0.000 1.091 178 S CA -0.365 57.949 58.200 0.190 0.000 1.057 178 S CB 1.638 64.934 63.200 0.160 0.000 1.031 178 S HN 0.692 9.002 8.310 0.000 0.000 0.485 179 S N 3.215 119.067 115.700 0.254 0.000 2.538 179 S HA 0.693 5.162 4.470 -0.002 0.000 0.288 179 S C -0.985 173.854 174.600 0.400 0.000 1.108 179 S CA -0.427 57.967 58.200 0.323 0.000 0.971 179 S CB 1.561 64.993 63.200 0.386 0.000 1.041 179 S HN 0.701 9.011 8.310 0.000 0.000 0.483 180 T N 4.676 119.379 114.554 0.250 0.000 2.779 180 T HA 0.503 4.852 4.350 -0.002 0.000 0.280 180 T C -0.860 173.773 174.700 -0.112 0.000 0.987 180 T CA -0.406 61.751 62.100 0.096 0.000 0.966 180 T CB 1.036 69.927 68.868 0.038 0.000 0.933 180 T HN 0.629 8.869 8.240 0.000 0.000 0.442 181 L N 3.910 124.856 121.223 -0.462 0.000 2.280 181 L HA 0.615 4.954 4.340 -0.002 0.000 0.287 181 L C -0.356 176.297 176.870 -0.361 0.000 1.023 181 L CA 0.140 54.560 54.840 -0.700 0.000 0.819 181 L CB 1.090 42.191 42.059 -1.598 0.000 1.212 181 L HN 0.553 8.783 8.230 0.000 0.000 0.420 182 T N 6.288 120.714 114.554 -0.213 0.000 2.794 182 T HA 0.659 5.008 4.350 -0.002 0.000 0.280 182 T C -0.311 174.345 174.700 -0.073 0.000 0.987 182 T CA -0.377 61.647 62.100 -0.128 0.000 0.993 182 T CB 1.097 69.914 68.868 -0.086 0.000 0.939 182 T HN 0.478 8.718 8.240 0.000 0.000 0.449 183 L N 1.651 122.850 121.223 -0.040 0.000 2.303 183 L HA 0.608 4.948 4.340 -0.002 0.000 0.256 183 L C 0.526 177.410 176.870 0.023 0.000 1.034 183 L CA -1.234 53.626 54.840 0.033 0.000 0.832 183 L CB 2.287 44.433 42.059 0.145 0.000 1.403 183 L HN 0.724 8.954 8.230 0.000 0.000 0.419 184 S N -0.488 115.245 115.700 0.054 0.000 2.592 184 S HA 0.122 4.591 4.470 -0.002 0.000 0.271 184 S C 0.811 175.462 174.600 0.085 0.000 1.326 184 S CA -0.478 57.749 58.200 0.045 0.000 1.024 184 S CB 1.450 64.677 63.200 0.045 0.000 0.921 184 S HN 0.745 9.055 8.310 0.000 0.000 0.527 185 K N 1.556 121.989 120.400 0.055 0.000 2.059 185 K HA -0.237 4.082 4.320 -0.002 0.000 0.212 185 K C 2.175 178.869 176.600 0.156 0.000 1.050 185 K CA 1.669 58.014 56.287 0.097 0.000 0.927 185 K CB -0.951 31.578 32.500 0.049 0.000 0.714 185 K HN 0.809 9.059 8.250 0.000 0.000 0.447 186 A N 1.431 124.309 122.820 0.096 0.000 1.841 186 A HA -0.248 4.072 4.320 -0.002 0.000 0.216 186 A C 1.930 179.565 177.584 0.085 0.000 1.199 186 A CA 2.253 54.334 52.037 0.073 0.000 0.621 186 A CB -1.075 17.951 19.000 0.043 0.000 0.835 186 A HN 0.545 8.695 8.150 0.000 0.000 0.445 187 D N -2.194 118.271 120.400 0.108 0.000 2.149 187 D HA -0.201 4.438 4.640 -0.002 0.000 0.198 187 D C 1.687 178.133 176.300 0.244 0.000 0.990 187 D CA 1.549 55.634 54.000 0.141 0.000 0.839 187 D CB -0.280 40.618 40.800 0.164 0.000 0.948 187 D HN 0.534 8.904 8.370 0.000 0.000 0.460 188 Y N 0.986 121.373 120.300 0.144 0.000 2.181 188 Y HA -0.133 4.416 4.550 -0.002 0.000 0.288 188 Y C 2.006 178.016 175.900 0.184 0.000 1.146 188 Y CA 1.739 59.955 58.100 0.193 0.000 1.164 188 Y CB -0.193 38.297 38.460 0.050 0.000 0.982 188 Y HN -0.067 8.213 8.280 0.000 0.000 0.515 189 E N -0.083 120.165 120.200 0.080 0.000 2.427 189 E HA -0.063 4.286 4.350 -0.002 0.000 0.196 189 E C 1.390 177.931 176.600 -0.099 0.000 1.028 189 E CA 0.600 56.984 56.400 -0.027 0.000 0.864 189 E CB 0.027 29.759 29.700 0.054 0.000 0.813 189 E HN 0.410 8.770 8.360 0.000 0.000 0.514 190 K N -0.830 119.469 120.400 -0.169 0.000 2.404 190 K HA 0.120 4.439 4.320 -0.002 0.000 0.194 190 K C -0.400 175.843 176.600 -0.595 0.000 1.023 190 K CA 0.178 56.246 56.287 -0.365 0.000 1.094 190 K CB 0.333 32.559 32.500 -0.457 0.000 0.841 190 K HN 0.182 8.432 8.250 0.000 0.000 0.523 191 H N -1.531 117.505 119.070 -0.057 0.000 2.946 191 H HA 0.238 4.793 4.556 -0.001 0.000 0.365 191 H C 0.365 175.625 175.328 -0.112 0.000 1.197 191 H CA -0.857 55.119 56.048 -0.119 0.000 1.131 191 H CB 2.293 31.928 29.762 -0.210 0.000 1.849 191 H HN -0.240 8.040 8.280 0.000 0.000 0.555 192 K N 0.580 120.964 120.400 -0.027 0.000 2.309 192 K HA 0.239 4.558 4.320 -0.002 0.000 0.210 192 K C -0.410 176.138 176.600 -0.087 0.000 1.114 192 K CA 0.389 56.661 56.287 -0.026 0.000 0.912 192 K CB 0.815 33.300 32.500 -0.024 0.000 1.198 192 K HN 0.275 8.525 8.250 0.000 0.000 0.471 193 V N 2.848 122.613 119.914 -0.249 0.000 2.364 193 V HA 0.223 4.342 4.120 -0.002 0.000 0.272 193 V C -1.116 174.678 176.094 -0.501 0.000 1.036 193 V CA -0.491 61.652 62.300 -0.262 0.000 0.880 193 V CB 0.479 32.203 31.823 -0.165 0.000 0.991 193 V HN 0.150 8.340 8.190 0.000 0.000 0.460 194 Y N 3.291 123.344 120.300 -0.412 0.000 2.345 194 Y HA 0.710 5.259 4.550 -0.002 0.000 0.331 194 Y C 0.391 176.211 175.900 -0.133 0.000 0.959 194 Y CA -0.413 57.497 58.100 -0.317 0.000 1.204 194 Y CB 1.755 39.877 38.460 -0.563 0.000 1.135 194 Y HN 0.714 8.994 8.280 0.000 0.000 0.477 195 A N 2.140 125.041 122.820 0.134 0.000 2.355 195 A HA 0.640 4.959 4.320 -0.002 0.000 0.317 195 A C -1.319 176.270 177.584 0.009 0.000 1.094 195 A CA -0.696 51.383 52.037 0.071 0.000 0.764 195 A CB 1.021 20.011 19.000 -0.017 0.000 1.230 195 A HN 0.817 8.967 8.150 0.000 0.000 0.448 196 c N 2.325 120.825 118.600 -0.167 0.000 2.271 196 c HA 0.629 5.198 4.570 -0.002 0.000 0.323 196 c C -0.048 173.845 174.090 -0.329 0.000 1.245 196 c CA -0.350 55.664 56.329 -0.525 0.000 1.548 196 c CB -0.564 41.598 42.510 -0.580 0.000 2.214 196 c HN 0.885 9.115 8.230 0.000 0.000 0.477 197 E N 4.318 124.323 120.200 -0.325 0.000 2.151 197 E HA 0.608 4.957 4.350 -0.002 0.000 0.275 197 E C -1.362 175.105 176.600 -0.222 0.000 0.936 197 E CA -0.316 55.956 56.400 -0.212 0.000 0.777 197 E CB 1.501 31.112 29.700 -0.148 0.000 1.108 197 E HN 0.610 8.970 8.360 0.000 0.000 0.401 198 V N 3.940 123.744 119.914 -0.184 0.000 2.487 198 V HA 0.335 4.454 4.120 -0.002 0.000 0.298 198 V C -0.374 175.639 176.094 -0.134 0.000 1.028 198 V CA -0.647 61.540 62.300 -0.188 0.000 0.860 198 V CB 2.034 33.722 31.823 -0.225 0.000 0.991 198 V HN 0.720 8.910 8.190 0.000 0.000 0.427 199 T N 4.017 118.500 114.554 -0.118 0.000 2.797 199 T HA 0.702 5.051 4.350 -0.002 0.000 0.279 199 T C -1.007 173.672 174.700 -0.036 0.000 0.991 199 T CA -0.441 61.615 62.100 -0.074 0.000 0.979 199 T CB 1.132 69.957 68.868 -0.072 0.000 0.943 199 T HN 0.874 9.114 8.240 0.000 0.000 0.444 200 H N 0.462 119.448 119.070 -0.139 0.000 3.079 200 H HA 0.280 4.836 4.556 0.001 0.000 0.356 200 H C 0.762 176.041 175.328 -0.082 0.000 1.221 200 H CA -0.512 55.453 56.048 -0.139 0.000 1.185 200 H CB 1.453 31.096 29.762 -0.197 0.000 1.882 200 H HN 0.502 8.782 8.280 0.000 0.000 0.543 201 Q N 2.159 121.527 119.800 -0.719 0.000 2.217 201 Q HA -0.105 4.234 4.340 -0.002 0.000 0.209 201 Q C 1.306 177.183 176.000 -0.203 0.000 0.988 201 Q CA 1.698 57.249 55.803 -0.420 0.000 0.878 201 Q CB -0.099 28.382 28.738 -0.428 0.000 0.909 201 Q HN 0.829 9.099 8.270 0.000 0.000 0.424 202 G N -0.499 108.257 108.800 -0.072 0.000 3.088 202 G HA2 0.187 4.146 3.960 -0.002 0.000 0.212 202 G HA3 0.187 4.146 3.960 -0.002 0.000 0.212 202 G C 0.165 175.129 174.900 0.106 0.000 1.173 202 G CA -0.137 45.051 45.100 0.148 0.000 0.779 202 G HN 0.059 8.349 8.290 0.000 0.000 0.540 203 L N 0.168 121.425 121.223 0.057 0.000 2.341 203 L HA 0.312 4.652 4.340 -0.002 0.000 0.278 203 L C 1.300 178.167 176.870 -0.005 0.000 1.005 203 L CA -0.677 54.176 54.840 0.023 0.000 0.818 203 L CB 2.020 44.086 42.059 0.012 0.000 1.259 203 L HN -0.039 8.191 8.230 0.000 0.000 0.418 204 S N 0.882 116.578 115.700 -0.005 0.000 2.359 204 S HA -0.083 4.386 4.470 -0.002 0.000 0.224 204 S C 0.640 175.229 174.600 -0.019 0.000 1.035 204 S CA 1.441 59.634 58.200 -0.011 0.000 1.018 204 S CB 0.028 63.223 63.200 -0.008 0.000 0.876 204 S HN 0.839 9.149 8.310 0.000 0.000 0.448 205 S N -0.249 115.438 115.700 -0.021 0.000 2.607 205 S HA 0.610 5.080 4.470 -0.002 0.000 0.273 205 S C -3.378 171.201 174.600 -0.034 0.000 1.148 205 S CA -1.782 56.402 58.200 -0.028 0.000 0.833 205 S CB 1.014 64.199 63.200 -0.025 0.000 1.130 205 S HN -0.115 8.195 8.310 0.000 0.000 0.470 206 P HA 0.189 4.609 4.420 0.000 0.000 0.264 206 P C -1.012 176.253 177.300 -0.058 0.000 1.179 206 P CA -0.168 62.897 63.100 -0.057 0.000 0.763 206 P CB 0.238 31.901 31.700 -0.062 0.000 0.806 207 V N 3.555 123.424 119.914 -0.074 0.000 2.483 207 V HA 0.381 4.500 4.120 -0.002 0.000 0.295 207 V C 0.326 176.367 176.094 -0.088 0.000 1.035 207 V CA -0.166 62.090 62.300 -0.072 0.000 0.896 207 V CB 1.828 33.603 31.823 -0.080 0.000 0.986 207 V HN 0.500 8.690 8.190 0.000 0.000 0.447 208 T N 4.904 119.417 114.554 -0.068 0.000 2.792 208 T HA 0.446 4.795 4.350 -0.002 0.000 0.280 208 T C -0.437 174.239 174.700 -0.041 0.000 0.990 208 T CA -0.761 61.297 62.100 -0.070 0.000 0.960 208 T CB 1.194 70.029 68.868 -0.056 0.000 0.939 208 T HN 0.387 8.627 8.240 0.000 0.000 0.439 209 K N 2.865 123.241 120.400 -0.041 0.000 2.307 209 K HA 0.627 4.946 4.320 -0.002 0.000 0.263 209 K C -0.286 176.356 176.600 0.070 0.000 0.973 209 K CA -0.474 55.825 56.287 0.020 0.000 0.846 209 K CB 1.777 34.291 32.500 0.023 0.000 1.100 209 K HN 0.837 9.087 8.250 0.000 0.000 0.438 210 S N 1.961 117.727 115.700 0.110 0.000 2.667 210 S HA 0.848 5.317 4.470 -0.002 0.000 0.292 210 S C -0.647 174.109 174.600 0.260 0.000 1.126 210 S CA -0.890 57.392 58.200 0.136 0.000 0.881 210 S CB 1.399 64.624 63.200 0.041 0.000 1.132 210 S HN 0.474 8.784 8.310 0.000 0.000 0.492 211 F N -1.171 118.871 119.950 0.154 0.000 2.668 211 F HA 0.685 5.210 4.527 -0.003 0.000 0.309 211 F C -1.623 174.285 175.800 0.180 0.000 1.117 211 F CA -1.166 56.919 58.000 0.142 0.000 0.951 211 F CB 0.916 39.998 39.000 0.136 0.000 1.323 211 F HN 0.613 8.913 8.300 0.000 0.000 0.451 212 N N 1.647 120.514 118.700 0.279 0.000 2.425 212 N HA 0.308 5.047 4.740 -0.002 0.000 0.268 212 N C -0.984 174.728 175.510 0.336 0.000 0.991 212 N CA -1.033 52.123 53.050 0.176 0.000 0.931 212 N CB 1.432 39.991 38.487 0.120 0.000 1.130 212 N HN 0.629 9.009 8.380 0.000 0.000 0.493 213 R N 2.524 123.180 120.500 0.260 0.000 2.912 213 R HA -0.039 4.300 4.340 -0.002 0.000 0.308 213 R C 0.471 176.896 176.300 0.209 0.000 0.787 213 R CA 1.126 57.376 56.100 0.249 0.000 1.117 213 R CB -0.851 29.435 30.300 -0.022 0.000 0.893 213 R HN 0.898 9.168 8.270 0.000 0.000 0.401 214 G N 0.000 108.946 108.800 0.243 0.000 5.446 214 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 214 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 214 G CA 0.000 45.191 45.100 0.152 0.000 0.502 214 G HN 0.000 8.290 8.290 0.000 0.000 0.925