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 1e9g_1_A DATA FIRST_RESID 1 DATA SEQUENCE TYTTRQIGAK NTLEYKVYIE KDGKPVSAFH DIPLYADKEN NIFNMVVEIP DATA SEQUENCE RWTNAKLEIT KEETLNPIIQ DTKKGKLRFV RNCFPHHGYI HNYGAFPQTW DATA SEQUENCE EDPNVSHPET KAVGDNDPID VLEIGETIAY TGQVKQVKAL GIMALLDEGE DATA SEQUENCE TDWKVIAIDI NDPLAPKLND IEDVEKYFPG LLRATNEWFR IYKIPDGKPE DATA SEQUENCE NQFAFSGEAK NKKYALDIIK ETHDSWKQLI AGKSSDSKGI DLTNVTLPDT DATA SEQUENCE PTYSKAASDA IPPASLKADA PIDKSIDKWF FISG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 4.242 4.350 -0.180 0.000 0.228 1 T C 0.000 174.532 174.700 -0.280 0.000 1.109 1 T CA 0.000 61.972 62.100 -0.214 0.000 1.349 1 T CB 0.000 68.821 68.868 -0.079 0.000 0.612 2 Y N 5.602 125.927 120.300 0.042 0.000 2.330 2 Y HA 1.016 5.837 4.550 0.048 -0.242 0.336 2 Y C 0.852 176.797 175.900 0.074 0.000 1.036 2 Y CA -1.597 56.534 58.100 0.052 0.000 1.125 2 Y CB 1.795 40.281 38.460 0.043 0.000 1.194 2 Y HN 0.387 8.680 8.280 0.022 0.000 0.469 3 T N -0.674 114.026 114.554 0.243 0.000 2.742 3 T HA 0.365 4.838 4.350 0.206 0.000 0.282 3 T C -0.767 174.043 174.700 0.184 0.000 1.025 3 T CA -2.229 59.982 62.100 0.185 0.000 1.020 3 T CB 2.580 71.514 68.868 0.110 0.000 1.317 3 T HN 0.471 8.861 8.240 0.251 0.000 0.538 4 T N -1.945 112.702 114.554 0.155 0.000 2.912 4 T HA 0.692 5.296 4.350 0.143 -0.168 0.288 4 T C -0.491 174.270 174.700 0.103 0.000 1.030 4 T CA -1.917 60.268 62.100 0.140 0.000 1.020 4 T CB 2.372 71.339 68.868 0.165 0.000 1.056 4 T HN -0.041 8.279 8.240 0.135 0.000 0.480 5 R N 3.024 123.591 120.500 0.111 0.000 2.422 5 R HA 0.328 4.711 4.340 0.072 0.000 0.307 5 R C -1.913 174.448 176.300 0.102 0.000 1.004 5 R CA -1.017 55.142 56.100 0.099 0.000 0.882 5 R CB 2.276 32.631 30.300 0.091 0.000 1.164 5 R HN 0.456 8.804 8.270 0.130 0.000 0.489 6 Q N 7.506 127.342 119.800 0.060 0.000 2.257 6 Q HA 0.647 5.147 4.340 -0.049 -0.189 0.255 6 Q C -1.387 174.638 176.000 0.043 0.000 0.920 6 Q CA -0.942 54.873 55.803 0.020 0.000 0.927 6 Q CB 2.401 31.173 28.738 0.057 0.000 1.229 6 Q HN 0.460 8.765 8.270 0.059 0.000 0.433 7 I N 6.148 126.729 120.570 0.019 0.000 2.362 7 I HA 0.351 4.559 4.170 0.063 0.000 0.289 7 I C -0.461 175.699 176.117 0.072 0.000 0.994 7 I CA -1.023 60.309 61.300 0.054 0.000 1.158 7 I CB 0.665 38.718 38.000 0.088 0.000 1.315 7 I HN 0.469 8.647 8.210 -0.053 0.000 0.451 8 G N 6.699 115.561 108.800 0.102 0.000 2.741 8 G HA2 -0.358 3.691 3.960 0.148 0.000 0.222 8 G HA3 -0.358 3.667 3.960 0.108 0.000 0.222 8 G C -2.081 172.938 174.900 0.198 0.000 1.364 8 G CA -0.433 44.750 45.100 0.138 0.000 0.866 8 G HN 0.080 8.421 8.290 0.086 0.000 0.555 9 A N 0.012 122.939 122.820 0.179 0.000 2.301 9 A HA 0.262 4.826 4.320 0.139 -0.160 0.312 9 A C -0.800 176.849 177.584 0.109 0.000 1.182 9 A CA -1.431 50.690 52.037 0.140 0.000 0.826 9 A CB 1.526 20.574 19.000 0.079 0.000 1.134 9 A HN 0.232 8.474 8.150 0.153 0.000 0.501 10 K N 3.701 124.076 120.400 -0.042 0.000 2.469 10 K HA -0.287 3.288 4.320 -1.242 0.000 0.274 10 K C -0.058 176.389 176.600 -0.255 0.000 0.983 10 K CA 1.573 57.552 56.287 -0.513 0.000 0.974 10 K CB 0.496 32.752 32.500 -0.406 0.000 0.913 10 K HN 0.524 8.795 8.250 0.034 0.000 0.493 11 N N -2.984 115.538 118.700 -0.297 0.000 2.815 11 N HA -0.334 4.576 4.740 -0.057 -0.204 0.249 11 N C -1.442 174.087 175.510 0.033 0.000 1.114 11 N CA 1.417 54.446 53.050 -0.036 0.000 0.717 11 N CB -1.687 36.876 38.487 0.126 0.000 1.074 11 N HN 0.732 8.788 8.380 -0.540 0.000 0.555 12 T N -6.902 107.655 114.554 0.005 0.000 2.896 12 T HA 0.257 4.647 4.350 0.067 0.000 0.297 12 T C 0.470 175.217 174.700 0.077 0.000 1.108 12 T CA -1.675 60.461 62.100 0.060 0.000 1.004 12 T CB 3.284 72.199 68.868 0.078 0.000 1.159 12 T HN -0.724 7.451 8.240 -0.047 0.036 0.499 13 L N -0.215 121.050 121.223 0.070 0.000 2.275 13 L HA -0.144 4.230 4.340 0.056 0.000 0.215 13 L C 0.276 177.196 176.870 0.084 0.000 1.119 13 L CA 2.580 57.459 54.840 0.066 0.000 0.790 13 L CB -0.135 41.955 42.059 0.051 0.000 0.919 13 L HN 0.338 8.608 8.230 0.066 0.000 0.443 14 E N -5.159 115.101 120.200 0.100 0.000 2.442 14 E HA -0.145 4.251 4.350 0.077 0.000 0.195 14 E C -0.283 176.397 176.600 0.133 0.000 1.030 14 E CA -0.179 56.280 56.400 0.098 0.000 0.869 14 E CB -0.196 29.556 29.700 0.087 0.000 0.857 14 E HN -0.482 7.895 8.360 0.100 0.043 0.505 15 Y N 1.334 121.644 120.300 0.017 0.000 2.620 15 Y HA -0.213 4.579 4.550 0.026 -0.226 0.330 15 Y C -0.700 175.194 175.900 -0.010 0.000 1.186 15 Y CA 1.599 59.706 58.100 0.012 0.000 1.467 15 Y CB 0.698 39.161 38.460 0.005 0.000 1.262 15 Y HN -0.965 7.420 8.280 0.257 0.049 0.550 16 K N 5.549 125.683 120.400 -0.443 0.000 2.498 16 K HA 0.642 4.828 4.320 -0.537 -0.189 0.254 16 K C -1.808 174.409 176.600 -0.638 0.000 0.933 16 K CA -1.618 54.359 56.287 -0.517 0.000 0.806 16 K CB 4.778 37.115 32.500 -0.271 0.000 1.301 16 K HN 0.051 8.080 8.250 -0.368 0.000 0.432 17 V N 2.196 121.749 119.914 -0.602 0.000 2.443 17 V HA 0.569 4.757 4.120 -0.211 -0.195 0.293 17 V C -1.099 174.818 176.094 -0.296 0.000 1.021 17 V CA -1.596 60.501 62.300 -0.338 0.000 0.848 17 V CB 1.658 33.330 31.823 -0.252 0.000 0.998 17 V HN 0.426 8.255 8.190 -0.601 0.000 0.424 18 Y N 6.357 126.609 120.300 -0.081 0.000 2.352 18 Y HA 0.159 4.685 4.550 -0.040 0.000 0.326 18 Y C -0.494 175.403 175.900 -0.005 0.000 1.166 18 Y CA -0.621 57.457 58.100 -0.036 0.000 1.182 18 Y CB 1.970 40.419 38.460 -0.019 0.000 1.216 18 Y HN 0.547 8.944 8.280 0.195 0.000 0.474 19 I N 1.048 121.712 120.570 0.157 0.000 2.365 19 I HA 0.222 4.616 4.170 0.130 -0.146 0.291 19 I C -0.775 175.451 176.117 0.182 0.000 1.004 19 I CA -0.242 61.136 61.300 0.130 0.000 1.311 19 I CB 1.049 39.068 38.000 0.031 0.000 1.401 19 I HN 0.807 9.103 8.210 0.145 0.000 0.491 20 E N 6.845 127.163 120.200 0.195 0.000 2.179 20 E HA 0.500 5.118 4.350 0.151 -0.177 0.275 20 E C -1.449 175.292 176.600 0.235 0.000 0.945 20 E CA -1.536 54.968 56.400 0.172 0.000 0.792 20 E CB 2.913 32.678 29.700 0.109 0.000 1.125 20 E HN 0.321 8.798 8.360 0.196 0.000 0.397 21 K N 4.458 124.957 120.400 0.165 0.000 2.293 21 K HA 0.332 4.765 4.320 -0.088 -0.166 0.267 21 K C -0.266 176.323 176.600 -0.019 0.000 1.010 21 K CA -0.843 55.459 56.287 0.024 0.000 0.875 21 K CB 1.665 34.189 32.500 0.039 0.000 1.106 21 K HN 0.203 8.541 8.250 0.148 0.000 0.450 22 D N 7.557 127.919 120.400 -0.064 0.000 2.701 22 D HA -0.394 4.221 4.640 -0.043 0.000 0.235 22 D C -0.357 175.938 176.300 -0.008 0.000 1.155 22 D CA 1.484 55.460 54.000 -0.040 0.000 0.649 22 D CB -1.716 39.055 40.800 -0.047 0.000 1.050 22 D HN 0.620 8.924 8.370 -0.111 0.000 0.425 23 G N -7.420 101.386 108.800 0.010 0.000 2.199 23 G HA2 -0.531 3.433 3.960 0.007 0.000 0.254 23 G HA3 -0.531 3.443 3.960 0.022 0.000 0.254 23 G C -1.189 173.720 174.900 0.015 0.000 0.982 23 G CA 0.224 45.333 45.100 0.015 0.000 0.632 23 G HN 0.519 8.796 8.290 0.017 0.024 0.529 24 K N 1.279 121.692 120.400 0.022 0.000 2.274 24 K HA 0.626 4.945 4.320 -0.002 0.000 0.262 24 K C -2.302 174.322 176.600 0.039 0.000 0.961 24 K CA -4.140 52.157 56.287 0.016 0.000 0.833 24 K CB 0.105 32.614 32.500 0.014 0.000 1.102 24 K HN -0.613 7.477 8.250 0.027 0.176 0.436 25 P HA 0.133 4.805 4.420 0.093 -0.196 0.266 25 P C -0.952 176.397 177.300 0.082 0.000 1.195 25 P CA -0.012 63.116 63.100 0.047 0.000 0.768 25 P CB 0.444 32.105 31.700 -0.065 0.000 0.838 26 V N -1.908 118.088 119.914 0.136 0.000 3.141 26 V HA 0.366 4.562 4.120 0.126 0.000 0.312 26 V C -1.771 174.416 176.094 0.155 0.000 1.157 26 V CA -3.276 59.111 62.300 0.145 0.000 1.041 26 V CB 3.937 35.864 31.823 0.172 0.000 1.071 26 V HN 0.392 8.677 8.190 0.157 0.000 0.441 27 S N -0.780 115.014 115.700 0.156 0.000 2.488 27 S HA -0.107 4.577 4.470 0.137 -0.132 0.278 27 S C 1.234 175.879 174.600 0.074 0.000 1.259 27 S CA -0.274 58.008 58.200 0.136 0.000 1.061 27 S CB 0.840 64.153 63.200 0.188 0.000 0.910 27 S HN -0.066 8.693 8.310 0.167 -0.349 0.491 28 A N 9.804 132.640 122.820 0.026 0.000 2.067 28 A HA -0.136 4.148 4.320 -0.061 0.000 0.219 28 A C 0.180 177.736 177.584 -0.047 0.000 1.158 28 A CA 2.631 54.642 52.037 -0.043 0.000 0.661 28 A CB -0.450 18.502 19.000 -0.080 0.000 0.801 28 A HN 0.260 8.433 8.150 0.038 0.000 0.452 29 F N -2.820 116.963 119.950 -0.278 0.000 2.147 29 F HA -0.266 4.082 4.527 -0.299 0.000 0.291 29 F C 0.580 176.163 175.800 -0.360 0.000 1.093 29 F CA 1.139 58.886 58.000 -0.422 0.000 1.263 29 F CB 1.236 39.818 39.000 -0.696 0.000 1.036 29 F HN -0.705 7.557 8.300 0.005 0.041 0.481 30 H N -5.473 113.762 119.070 0.274 0.000 2.604 30 H HA 0.138 4.896 4.556 0.337 0.000 0.273 30 H C 0.878 176.331 175.328 0.207 0.000 0.971 30 H CA 1.672 57.896 56.048 0.294 0.000 1.249 30 H CB 1.851 31.796 29.762 0.304 0.000 1.449 30 H HN -0.352 7.876 8.280 -0.086 0.000 0.512 31 D N -2.353 118.185 120.400 0.230 0.000 2.379 31 D HA 0.165 4.949 4.640 0.240 0.000 0.208 31 D C 0.079 176.457 176.300 0.130 0.000 1.065 31 D CA 0.594 54.714 54.000 0.201 0.000 0.848 31 D CB 1.406 42.328 40.800 0.203 0.000 0.949 31 D HN -0.421 8.058 8.370 0.181 0.000 0.509 32 I N 1.722 122.310 120.570 0.030 0.000 2.325 32 I HA 0.112 4.314 4.170 0.053 0.000 0.291 32 I C -2.746 173.335 176.117 -0.059 0.000 1.019 32 I CA -2.314 58.963 61.300 -0.039 0.000 1.302 32 I CB 0.186 38.054 38.000 -0.220 0.000 1.401 32 I HN -0.844 7.371 8.210 0.008 0.000 0.485 33 P HA -0.110 4.452 4.420 -0.045 -0.168 0.268 33 P C -0.431 176.776 177.300 -0.155 0.000 1.204 33 P CA -0.441 62.635 63.100 -0.040 0.000 0.768 33 P CB 0.492 32.217 31.700 0.042 0.000 0.842 34 L N 2.688 123.722 121.223 -0.315 0.000 2.013 34 L HA -0.246 3.855 4.340 -0.398 0.000 0.212 34 L C -0.149 176.472 176.870 -0.415 0.000 1.073 34 L CA 2.440 56.977 54.840 -0.506 0.000 0.753 34 L CB 0.699 42.161 42.059 -0.995 0.000 0.890 34 L HN -0.298 8.033 8.230 -0.315 -0.291 0.432 35 Y N -4.919 115.245 120.300 -0.228 0.000 2.350 35 Y HA 0.052 4.338 4.550 -0.440 0.000 0.340 35 Y C 0.051 175.830 175.900 -0.202 0.000 1.006 35 Y CA -0.724 57.197 58.100 -0.298 0.000 1.166 35 Y CB -0.245 38.043 38.460 -0.286 0.000 1.168 35 Y HN -0.652 7.463 8.280 -0.255 0.011 0.502 36 A N 6.440 129.218 122.820 -0.070 0.000 1.935 36 A HA -0.049 4.269 4.320 -0.004 0.000 0.214 36 A C -0.609 176.931 177.584 -0.073 0.000 1.178 36 A CA 1.498 53.507 52.037 -0.045 0.000 0.640 36 A CB 1.179 20.153 19.000 -0.043 0.000 0.825 36 A HN 0.437 8.497 8.150 -0.150 0.000 0.447 37 D N -3.650 116.663 120.400 -0.146 0.000 2.323 37 D HA 0.127 4.682 4.640 -0.140 0.000 0.242 37 D C -1.096 175.034 176.300 -0.284 0.000 1.347 37 D CA -0.515 53.383 54.000 -0.170 0.000 0.988 37 D CB 1.280 41.997 40.800 -0.138 0.000 1.314 37 D HN -0.602 7.647 8.370 -0.201 0.000 0.564 38 K N 5.435 125.618 120.400 -0.361 0.000 2.032 38 K HA -0.295 3.530 4.320 -0.825 0.000 0.209 38 K C 1.835 178.156 176.600 -0.465 0.000 1.048 38 K CA 3.008 58.891 56.287 -0.675 0.000 0.927 38 K CB 0.092 32.026 32.500 -0.943 0.000 0.712 38 K HN 0.282 8.357 8.250 -0.292 0.000 0.441 39 E N -3.250 116.764 120.200 -0.309 0.000 2.427 39 E HA -0.064 4.151 4.350 -0.225 0.000 0.196 39 E C 0.952 177.451 176.600 -0.168 0.000 1.028 39 E CA 1.436 57.707 56.400 -0.215 0.000 0.864 39 E CB -0.470 29.134 29.700 -0.161 0.000 0.813 39 E HN -0.073 8.189 8.360 -0.279 -0.069 0.514 40 N N -2.580 116.014 118.700 -0.177 0.000 2.270 40 N HA 0.051 4.727 4.740 -0.107 0.000 0.198 40 N C -1.270 174.141 175.510 -0.165 0.000 1.117 40 N CA -0.194 52.773 53.050 -0.138 0.000 0.845 40 N CB 0.316 38.736 38.487 -0.111 0.000 0.980 40 N HN -0.766 7.683 8.380 -0.199 -0.189 0.486 41 N N -4.040 114.508 118.700 -0.254 0.000 2.740 41 N HA -0.466 3.983 4.740 -0.484 0.000 0.248 41 N C -2.119 173.125 175.510 -0.442 0.000 1.062 41 N CA 1.357 54.211 53.050 -0.327 0.000 0.704 41 N CB -1.909 36.539 38.487 -0.064 0.000 0.968 41 N HN -0.262 7.757 8.380 -0.282 0.192 0.547 42 I N -2.944 117.316 120.570 -0.516 0.000 2.339 42 I HA 0.460 4.655 4.170 -0.218 -0.156 0.290 42 I C -0.736 175.053 176.117 -0.546 0.000 0.994 42 I CA -2.490 58.592 61.300 -0.363 0.000 1.191 42 I CB -0.290 37.608 38.000 -0.171 0.000 1.343 42 I HN -0.417 7.507 8.210 -0.476 0.000 0.458 43 F N 6.811 126.678 119.950 -0.139 0.000 2.507 43 F HA 0.405 4.878 4.527 -0.311 -0.132 0.327 43 F C -0.526 175.178 175.800 -0.159 0.000 1.068 43 F CA -1.723 56.093 58.000 -0.306 0.000 0.965 43 F CB 3.526 42.043 39.000 -0.805 0.000 1.192 43 F HN 0.791 9.100 8.300 0.014 0.000 0.476 44 N N 1.788 120.492 118.700 0.008 0.000 2.408 44 N HA 0.246 5.158 4.740 0.037 -0.150 0.257 44 N C -1.270 174.324 175.510 0.140 0.000 1.064 44 N CA 0.157 53.224 53.050 0.028 0.000 0.952 44 N CB 0.802 39.259 38.487 -0.050 0.000 1.093 44 N HN 0.106 8.446 8.380 -0.065 0.000 0.490 45 M N 5.380 125.064 119.600 0.141 0.000 2.209 45 M HA 0.286 4.995 4.480 0.166 -0.130 0.355 45 M C -2.083 174.153 176.300 -0.107 0.000 1.171 45 M CA -0.197 55.142 55.300 0.064 0.000 1.069 45 M CB 2.784 35.367 32.600 -0.028 0.000 1.622 45 M HN 0.578 8.926 8.290 0.096 0.000 0.459 46 V N 7.223 127.039 119.914 -0.163 0.000 2.385 46 V HA 0.312 4.459 4.120 -0.218 -0.158 0.269 46 V C -0.729 175.220 176.094 -0.242 0.000 1.043 46 V CA -1.190 60.982 62.300 -0.213 0.000 0.906 46 V CB -0.248 31.449 31.823 -0.210 0.000 0.995 46 V HN 0.522 8.623 8.190 -0.148 0.000 0.467 47 V N 8.773 128.540 119.914 -0.246 0.000 2.488 47 V HA -0.151 3.816 4.120 -0.255 0.000 0.277 47 V C -0.342 175.637 176.094 -0.192 0.000 1.046 47 V CA 0.446 62.600 62.300 -0.242 0.000 0.986 47 V CB -0.761 30.899 31.823 -0.272 0.000 0.989 47 V HN 0.526 8.564 8.190 -0.255 0.000 0.475 48 E N 9.492 129.592 120.200 -0.167 0.000 2.175 48 E HA 0.169 4.462 4.350 -0.095 0.000 0.195 48 E C -0.037 176.506 176.600 -0.095 0.000 0.934 48 E CA 1.662 57.997 56.400 -0.108 0.000 0.870 48 E CB 1.694 31.346 29.700 -0.080 0.000 0.838 48 E HN 0.308 8.554 8.360 -0.190 0.000 0.474 49 I N -0.615 119.874 120.570 -0.135 0.000 2.410 49 I HA 0.471 4.546 4.170 -0.158 0.000 0.286 49 I C -2.786 173.230 176.117 -0.169 0.000 1.009 49 I CA -2.959 58.216 61.300 -0.208 0.000 1.111 49 I CB 2.662 40.355 38.000 -0.511 0.000 1.262 49 I HN -0.219 7.915 8.210 -0.127 0.000 0.443 50 P HA 0.098 4.460 4.420 -0.098 0.000 0.271 50 P C -0.893 176.338 177.300 -0.115 0.000 1.218 50 P CA -0.696 62.353 63.100 -0.085 0.000 0.780 50 P CB 0.528 32.220 31.700 -0.013 0.000 0.901 51 R N 2.354 122.738 120.500 -0.192 0.000 2.583 51 R HA -0.565 3.711 4.340 -0.310 -0.123 0.274 51 R C 0.259 176.452 176.300 -0.177 0.000 0.998 51 R CA 1.798 57.683 56.100 -0.359 0.000 1.081 51 R CB 0.261 30.130 30.300 -0.719 0.000 0.940 51 R HN -0.287 8.140 8.270 -0.196 -0.274 0.413 52 W N 0.476 121.725 121.300 -0.086 0.000 3.105 52 W HA -0.278 4.533 4.660 -0.269 -0.313 0.308 52 W C -0.731 175.589 176.519 -0.333 0.000 1.182 52 W CA 0.517 57.719 57.345 -0.239 0.000 0.612 52 W CB -3.197 26.163 29.460 -0.167 0.000 2.238 52 W HN 0.494 8.584 8.180 -0.149 0.000 1.307 53 T N -4.640 109.941 114.554 0.045 0.000 2.938 53 T HA 0.352 4.709 4.350 0.011 0.000 0.285 53 T C -0.537 174.269 174.700 0.175 0.000 1.028 53 T CA -2.203 59.931 62.100 0.057 0.000 1.005 53 T CB 2.297 71.196 68.868 0.052 0.000 1.157 53 T HN -0.510 7.711 8.240 0.062 0.057 0.550 54 N N -0.804 118.030 118.700 0.223 0.000 2.503 54 N HA -0.003 4.973 4.740 0.394 0.000 0.210 54 N C -0.517 175.201 175.510 0.346 0.000 1.077 54 N CA 0.735 53.995 53.050 0.349 0.000 0.855 54 N CB 0.618 39.325 38.487 0.368 0.000 1.323 54 N HN 0.217 8.716 8.380 0.198 0.000 0.452 55 A N -0.534 122.443 122.820 0.262 0.000 2.548 55 A HA -0.187 3.902 4.320 -0.385 0.000 0.247 55 A C -0.093 177.434 177.584 -0.094 0.000 1.067 55 A CA 0.860 52.847 52.037 -0.084 0.000 0.757 55 A CB -0.020 18.902 19.000 -0.129 0.000 0.996 55 A HN -0.284 8.036 8.150 0.282 0.000 0.504 56 K N 6.141 126.454 120.400 -0.145 0.000 2.187 56 K HA 0.205 4.510 4.320 -0.025 0.000 0.242 56 K C -1.739 174.817 176.600 -0.073 0.000 1.179 56 K CA -1.590 54.670 56.287 -0.045 0.000 1.097 56 K CB -1.612 30.910 32.500 0.038 0.000 1.634 56 K HN 0.068 8.149 8.250 -0.282 0.000 0.335 57 L N 4.122 125.297 121.223 -0.079 0.000 2.395 57 L HA 0.248 4.748 4.340 -0.013 -0.168 0.269 57 L C -0.366 176.490 176.870 -0.024 0.000 1.133 57 L CA -0.090 54.733 54.840 -0.029 0.000 0.812 57 L CB 0.719 42.785 42.059 0.012 0.000 1.125 57 L HN -0.326 7.797 8.230 -0.108 0.043 0.452 58 E N -2.712 117.476 120.200 -0.019 0.000 2.388 58 E HA 0.292 4.737 4.350 -0.045 -0.122 0.281 58 E C -1.251 175.306 176.600 -0.071 0.000 1.046 58 E CA -2.155 54.223 56.400 -0.037 0.000 0.825 58 E CB 3.644 33.340 29.700 -0.006 0.000 1.243 58 E HN 0.470 8.823 8.360 -0.012 0.000 0.438 59 I N 1.838 122.341 120.570 -0.112 0.000 2.821 59 I HA -0.354 3.850 4.170 -0.139 -0.118 0.294 59 I C -0.109 175.948 176.117 -0.101 0.000 1.210 59 I CA 1.889 63.105 61.300 -0.140 0.000 1.430 59 I CB -0.230 37.642 38.000 -0.214 0.000 1.356 59 I HN 0.334 8.803 8.210 -0.122 -0.333 0.563 60 T N 7.548 122.058 114.554 -0.073 0.000 2.806 60 T HA 0.197 4.540 4.350 -0.011 0.000 0.290 60 T C 0.474 175.201 174.700 0.044 0.000 0.966 60 T CA -1.458 60.631 62.100 -0.019 0.000 1.060 60 T CB 1.708 70.560 68.868 -0.027 0.000 0.927 60 T HN 0.105 8.288 8.240 -0.096 0.000 0.485 61 K N 6.866 127.323 120.400 0.096 0.000 2.228 61 K HA -0.195 4.313 4.320 0.313 0.000 0.202 61 K C 0.767 177.463 176.600 0.159 0.000 1.051 61 K CA 3.353 59.764 56.287 0.206 0.000 0.960 61 K CB 0.232 32.875 32.500 0.239 0.000 0.743 61 K HN 0.630 8.925 8.250 0.075 0.000 0.458 62 E N -3.903 116.357 120.200 0.101 0.000 2.499 62 E HA 0.220 4.623 4.350 0.087 0.000 0.199 62 E C -0.651 175.989 176.600 0.065 0.000 1.016 62 E CA -0.716 55.733 56.400 0.081 0.000 0.933 62 E CB 0.120 29.861 29.700 0.068 0.000 1.050 62 E HN -0.572 7.797 8.360 0.083 0.041 0.462 63 E N -1.762 118.478 120.200 0.066 0.000 2.256 63 E HA 0.220 4.608 4.350 0.063 0.000 0.267 63 E C -0.741 175.912 176.600 0.089 0.000 0.892 63 E CA -1.478 54.960 56.400 0.064 0.000 0.775 63 E CB 3.521 33.245 29.700 0.039 0.000 1.207 63 E HN -0.827 7.517 8.360 0.070 0.059 0.420 64 T N 3.413 118.029 114.554 0.104 0.000 2.888 64 T HA -0.075 4.440 4.350 0.108 -0.100 0.301 64 T C 0.292 175.099 174.700 0.179 0.000 1.001 64 T CA 1.945 64.116 62.100 0.119 0.000 1.147 64 T CB -0.197 68.724 68.868 0.088 0.000 0.931 64 T HN 0.432 8.729 8.240 0.096 0.000 0.541 65 L N -0.794 120.530 121.223 0.168 0.000 4.937 65 L HA -0.500 3.945 4.340 0.175 0.000 0.422 65 L C -1.252 175.701 176.870 0.138 0.000 1.059 65 L CA 0.783 55.738 54.840 0.192 0.000 1.111 65 L CB -2.206 40.002 42.059 0.248 0.000 2.033 65 L HN 0.743 9.064 8.230 0.152 0.000 0.708 66 N N -7.348 111.404 118.700 0.086 0.000 2.714 66 N HA -0.298 4.670 4.740 0.019 -0.216 0.253 66 N C -2.151 173.294 175.510 -0.109 0.000 1.024 66 N CA 0.548 53.607 53.050 0.016 0.000 0.726 66 N CB -1.454 37.074 38.487 0.069 0.000 0.908 66 N HN -0.271 7.973 8.380 0.108 0.201 0.542 67 P HA -0.056 4.147 4.420 -0.498 -0.082 0.271 67 P C -0.716 176.393 177.300 -0.320 0.000 1.233 67 P CA -0.216 62.562 63.100 -0.538 0.000 0.789 67 P CB 0.964 31.961 31.700 -1.171 0.000 0.951 68 I N -0.704 119.683 120.570 -0.304 0.000 2.416 68 I HA 0.300 4.712 4.170 -0.151 -0.333 0.288 68 I C 0.163 176.160 176.117 -0.200 0.000 1.051 68 I CA 0.293 61.475 61.300 -0.195 0.000 1.375 68 I CB 0.045 37.961 38.000 -0.140 0.000 1.407 68 I HN -0.036 7.968 8.210 -0.343 0.000 0.516 69 I N 1.133 121.650 120.570 -0.089 0.000 3.206 69 I HA 0.660 4.847 4.170 0.028 0.000 0.313 69 I C -2.296 173.859 176.117 0.064 0.000 1.103 69 I CA -3.396 57.904 61.300 -0.001 0.000 0.985 69 I CB 4.242 42.223 38.000 -0.032 0.000 1.240 69 I HN 0.459 8.623 8.210 -0.077 0.000 0.464 70 Q N 0.200 120.054 119.800 0.091 0.000 2.286 70 Q HA -0.185 4.254 4.340 -0.027 -0.116 0.257 70 Q C -0.351 175.628 176.000 -0.036 0.000 0.941 70 Q CA 0.046 55.840 55.803 -0.014 0.000 0.912 70 Q CB 1.054 29.735 28.738 -0.094 0.000 1.192 70 Q HN 0.457 8.811 8.270 0.139 0.000 0.410 71 D N 5.514 125.885 120.400 -0.048 0.000 2.378 71 D HA -0.167 4.466 4.640 -0.012 0.000 0.238 71 D C -0.989 175.283 176.300 -0.047 0.000 1.180 71 D CA 1.394 55.376 54.000 -0.029 0.000 0.895 71 D CB 1.970 42.765 40.800 -0.008 0.000 1.192 71 D HN 0.311 8.649 8.370 -0.053 0.000 0.438 72 T N -3.278 111.265 114.554 -0.019 0.000 2.903 72 T HA 0.696 5.192 4.350 -0.025 -0.162 0.299 72 T C -1.282 173.419 174.700 0.002 0.000 1.093 72 T CA -2.210 59.883 62.100 -0.012 0.000 1.002 72 T CB 3.224 72.093 68.868 0.001 0.000 1.127 72 T HN -0.079 8.158 8.240 -0.006 0.000 0.488 73 K N 1.742 122.146 120.400 0.008 0.000 2.482 73 K HA 0.366 4.691 4.320 0.008 0.000 0.251 73 K C -0.713 175.897 176.600 0.016 0.000 0.936 73 K CA -1.205 55.088 56.287 0.010 0.000 0.791 73 K CB 3.269 35.772 32.500 0.006 0.000 1.213 73 K HN 0.162 8.418 8.250 0.010 0.000 0.428 74 K N 3.008 123.417 120.400 0.014 0.000 3.077 74 K HA -0.364 3.966 4.320 0.015 0.000 0.264 74 K C -0.982 175.631 176.600 0.023 0.000 1.008 74 K CA 0.709 57.006 56.287 0.017 0.000 0.740 74 K CB -2.090 30.420 32.500 0.016 0.000 1.273 74 K HN 0.707 8.964 8.250 0.012 0.000 0.477 75 G N -6.287 102.526 108.800 0.022 0.000 2.189 75 G HA2 -0.319 3.656 3.960 0.026 0.000 0.267 75 G HA3 -0.319 3.655 3.960 0.024 0.000 0.267 75 G C -0.761 174.158 174.900 0.032 0.000 0.975 75 G CA 0.260 45.376 45.100 0.026 0.000 0.644 75 G HN 0.210 8.497 8.290 0.020 0.015 0.537 76 K N 0.154 120.575 120.400 0.035 0.000 2.259 76 K HA 0.355 4.707 4.320 0.054 0.000 0.249 76 K C -0.842 175.781 176.600 0.038 0.000 0.942 76 K CA -2.118 54.200 56.287 0.051 0.000 0.816 76 K CB 2.600 35.141 32.500 0.069 0.000 1.155 76 K HN -0.462 7.626 8.250 0.031 0.181 0.428 77 L N 3.851 125.100 121.223 0.044 0.000 2.578 77 L HA -0.198 4.089 4.340 -0.088 0.000 0.279 77 L C 0.322 177.147 176.870 -0.075 0.000 1.227 77 L CA 1.422 56.235 54.840 -0.046 0.000 0.900 77 L CB 0.027 42.068 42.059 -0.030 0.000 1.144 77 L HN 0.457 8.730 8.230 0.072 0.000 0.496 78 R N 3.388 123.763 120.500 -0.209 0.000 2.312 78 R HA 0.161 4.504 4.340 0.005 0.000 0.311 78 R C -1.891 174.203 176.300 -0.343 0.000 1.004 78 R CA -0.606 55.414 56.100 -0.134 0.000 0.902 78 R CB 1.662 31.923 30.300 -0.066 0.000 1.073 78 R HN 0.071 8.205 8.270 -0.227 0.000 0.457 79 F N 4.393 124.380 119.950 0.062 0.000 2.477 79 F HA 0.269 5.008 4.527 0.101 -0.151 0.335 79 F C -0.187 175.669 175.800 0.094 0.000 1.130 79 F CA -1.471 56.581 58.000 0.086 0.000 0.948 79 F CB 2.309 41.355 39.000 0.077 0.000 1.154 79 F HN 0.193 8.654 8.300 0.269 0.000 0.439 80 V N 3.550 123.646 119.914 0.302 0.000 2.655 80 V HA -0.161 4.039 4.120 0.134 0.000 0.300 80 V C 0.173 176.382 176.094 0.192 0.000 1.044 80 V CA 0.082 62.514 62.300 0.220 0.000 1.095 80 V CB 0.031 32.036 31.823 0.302 0.000 0.952 80 V HN 0.275 8.660 8.190 0.325 0.000 0.485 81 R N 4.121 124.657 120.500 0.059 0.000 2.560 81 R HA 0.066 4.519 4.340 0.188 0.000 0.270 81 R C -0.346 176.044 176.300 0.150 0.000 1.074 81 R CA -2.235 53.921 56.100 0.094 0.000 1.140 81 R CB 0.745 30.971 30.300 -0.123 0.000 1.073 81 R HN 0.412 8.662 8.270 -0.032 0.000 0.527 82 N N 0.033 118.919 118.700 0.311 0.000 2.442 82 N HA -0.025 4.927 4.740 0.352 0.000 0.265 82 N C -1.469 174.345 175.510 0.506 0.000 1.138 82 N CA 0.323 53.610 53.050 0.395 0.000 0.956 82 N CB 0.795 39.470 38.487 0.314 0.000 1.067 82 N HN 0.221 8.815 8.380 0.358 0.000 0.474 83 C N 3.692 123.206 119.300 0.357 0.000 2.293 83 C HA 0.541 5.273 4.460 0.196 -0.155 0.323 83 C C 0.322 175.354 174.990 0.070 0.000 1.240 83 C CA -0.752 58.373 59.018 0.180 0.000 1.497 83 C CB 0.302 28.034 27.740 -0.014 0.000 2.171 83 C HN 0.554 8.983 8.230 0.333 0.000 0.465 84 F N 8.229 127.826 119.950 -0.588 0.000 2.629 84 F HA -0.099 3.822 4.527 -1.076 -0.039 0.377 84 F C -1.404 173.980 175.800 -0.694 0.000 1.101 84 F CA -0.161 57.161 58.000 -1.129 0.000 1.301 84 F CB 1.740 39.434 39.000 -2.176 0.000 1.062 84 F HN 0.410 8.461 8.300 -0.415 0.000 0.583 85 P HA 0.050 3.037 4.420 -2.389 0.000 0.258 85 P C -1.886 175.179 177.300 -0.392 0.000 1.416 85 P CA -0.246 61.901 63.100 -1.589 0.000 0.927 85 P CB 0.166 30.987 31.700 -1.464 0.000 1.444 86 H N 0.725 119.913 119.070 0.196 0.000 2.481 86 H HA 0.157 4.897 4.556 0.307 0.000 0.339 86 H C -0.971 174.656 175.328 0.498 0.000 1.131 86 H CA -0.807 55.456 56.048 0.358 0.000 1.301 86 H CB 1.714 31.704 29.762 0.380 0.000 1.476 86 H HN -0.141 7.735 8.280 -0.358 0.189 0.529 87 H N 2.560 121.858 119.070 0.379 0.000 2.673 87 H HA -0.059 4.537 4.556 0.066 0.000 0.293 87 H C 0.124 175.670 175.328 0.364 0.000 1.065 87 H CA -1.476 54.681 56.048 0.182 0.000 1.236 87 H CB 0.742 30.448 29.762 -0.094 0.000 1.389 87 H HN 0.310 8.952 8.280 0.603 0.000 0.481 88 G N 7.074 116.078 108.800 0.340 0.000 2.582 88 G HA2 -0.500 3.693 3.960 0.168 0.000 0.288 88 G HA3 -0.500 3.654 3.960 0.323 0.000 0.288 88 G C -1.562 173.573 174.900 0.392 0.000 1.247 88 G CA 0.324 45.602 45.100 0.297 0.000 0.972 88 G HN 0.384 9.171 8.290 0.403 -0.255 0.557 89 Y N 1.227 121.585 120.300 0.098 0.000 2.425 89 Y HA -0.006 4.176 4.550 -0.614 0.000 0.331 89 Y C 1.179 176.820 175.900 -0.433 0.000 1.157 89 Y CA 0.952 58.858 58.100 -0.323 0.000 1.372 89 Y CB 0.547 38.799 38.460 -0.347 0.000 1.253 89 Y HN -0.407 8.146 8.280 0.455 0.000 0.536 90 I N -3.689 116.424 120.570 -0.762 0.000 3.904 90 I HA 0.111 4.010 4.170 -0.451 0.000 0.333 90 I C -1.742 173.799 176.117 -0.960 0.000 1.361 90 I CA -0.187 60.680 61.300 -0.721 0.000 1.116 90 I CB 0.434 38.037 38.000 -0.662 0.000 1.028 90 I HN 0.099 7.533 8.210 -1.292 0.000 0.398 91 H N -3.281 115.565 119.070 -0.374 0.000 2.928 91 H HA 0.199 4.571 4.556 -0.306 0.000 0.371 91 H C -0.660 174.530 175.328 -0.229 0.000 1.186 91 H CA -1.954 53.928 56.048 -0.277 0.000 1.134 91 H CB 2.244 31.901 29.762 -0.174 0.000 1.824 91 H HN -0.770 7.138 8.280 -0.499 0.072 0.554 92 N N 0.860 119.498 118.700 -0.104 0.000 2.452 92 N HA -0.028 4.772 4.740 -0.131 -0.139 0.266 92 N C -1.465 174.001 175.510 -0.073 0.000 1.209 92 N CA 0.651 53.632 53.050 -0.116 0.000 0.929 92 N CB 0.398 38.798 38.487 -0.146 0.000 1.063 92 N HN 0.072 8.375 8.380 -0.128 0.000 0.472 93 Y N 6.417 126.581 120.300 -0.226 0.000 2.364 93 Y HA 0.613 5.205 4.550 -0.198 -0.160 0.340 93 Y C -1.851 173.893 175.900 -0.260 0.000 0.975 93 Y CA -1.269 56.692 58.100 -0.232 0.000 1.089 93 Y CB 4.025 42.318 38.460 -0.279 0.000 1.192 93 Y HN 0.388 8.632 8.280 -0.061 0.000 0.454 94 G N 4.127 112.454 108.800 -0.788 0.000 2.635 94 G HA2 0.583 4.460 3.960 -0.440 0.000 0.194 94 G HA3 0.583 4.468 3.960 -0.430 -0.183 0.194 94 G C -3.079 171.405 174.900 -0.694 0.000 1.198 94 G CA 0.342 45.095 45.100 -0.579 0.000 0.972 94 G HN 0.454 8.108 8.290 -1.060 0.000 0.520 95 A N -2.662 119.840 122.820 -0.531 0.000 2.606 95 A HA 0.873 4.998 4.320 -0.590 -0.159 0.293 95 A C -2.693 174.637 177.584 -0.423 0.000 1.082 95 A CA -1.095 50.644 52.037 -0.496 0.000 0.685 95 A CB 3.547 22.334 19.000 -0.355 0.000 1.284 95 A HN -0.132 7.748 8.150 -0.450 0.000 0.408 96 F N -0.193 119.584 119.950 -0.288 0.000 2.411 96 F HA 0.764 5.133 4.527 -0.264 0.000 0.350 96 F C -1.075 174.566 175.800 -0.265 0.000 1.114 96 F CA -3.502 54.331 58.000 -0.278 0.000 1.135 96 F CB 1.130 39.939 39.000 -0.318 0.000 1.120 96 F HN -0.157 7.910 8.300 -0.388 0.000 0.495 97 P HA -0.063 4.271 4.420 -0.144 0.000 0.272 97 P C -0.981 176.145 177.300 -0.290 0.000 1.240 97 P CA 0.237 63.240 63.100 -0.161 0.000 0.791 97 P CB 0.768 32.367 31.700 -0.167 0.000 0.978 98 Q N -6.682 112.799 119.800 -0.531 0.000 2.487 98 Q HA -0.457 2.131 4.340 -2.919 0.000 0.279 98 Q C -1.691 174.031 176.000 -0.464 0.000 1.228 98 Q CA 1.286 56.241 55.803 -1.414 0.000 0.873 98 Q CB -1.778 26.177 28.738 -1.306 0.000 1.260 98 Q HN 0.323 8.396 8.270 -0.329 0.000 0.471 99 T N -7.541 107.000 114.554 -0.022 0.000 2.896 99 T HA 0.464 5.216 4.350 0.417 -0.152 0.297 99 T C -1.670 173.393 174.700 0.604 0.000 1.108 99 T CA -2.131 60.157 62.100 0.313 0.000 1.004 99 T CB 3.202 72.174 68.868 0.173 0.000 1.159 99 T HN -0.710 7.501 8.240 -0.004 0.027 0.499 100 W N 1.903 123.419 121.300 0.359 0.000 3.405 100 W HA 0.188 5.336 4.660 0.338 -0.285 0.329 100 W C -1.899 174.785 176.519 0.276 0.000 1.142 100 W CA -0.911 56.650 57.345 0.360 0.000 1.235 100 W CB 3.399 33.122 29.460 0.439 0.000 1.341 100 W HN 0.025 8.546 8.180 0.570 0.000 0.481 101 E N 7.434 127.695 120.200 0.102 0.000 1.865 101 E HA 0.037 4.475 4.350 0.147 0.000 0.269 101 E C -1.353 174.975 176.600 -0.454 0.000 1.177 101 E CA -0.678 55.702 56.400 -0.034 0.000 0.932 101 E CB 0.197 29.894 29.700 -0.006 0.000 1.066 101 E HN 0.629 9.004 8.360 0.206 0.108 0.405 102 D N 5.618 125.775 120.400 -0.404 0.000 2.412 102 D HA -0.013 3.485 4.640 -1.904 0.000 0.257 102 D C -0.371 175.693 176.300 -0.392 0.000 1.217 102 D CA -1.820 51.684 54.000 -0.827 0.000 0.897 102 D CB 1.475 42.036 40.800 -0.398 0.000 1.132 102 D HN -0.099 8.227 8.370 -0.074 0.000 0.493 103 P HA 0.132 4.697 4.420 -0.141 -0.229 0.249 103 P C -0.849 176.402 177.300 -0.082 0.000 1.229 103 P CA 0.582 63.574 63.100 -0.181 0.000 0.788 103 P CB 0.666 32.307 31.700 -0.098 0.000 1.072 104 N N -2.004 116.640 118.700 -0.093 0.000 2.236 104 N HA 0.108 4.849 4.740 0.002 0.000 0.196 104 N C -0.745 174.763 175.510 -0.004 0.000 1.114 104 N CA 0.128 53.168 53.050 -0.017 0.000 0.859 104 N CB 1.161 39.660 38.487 0.021 0.000 0.982 104 N HN -0.020 8.518 8.380 -0.183 -0.268 0.493 105 V N 0.054 119.971 119.914 0.004 0.000 3.007 105 V HA 0.122 4.252 4.120 0.017 0.000 0.311 105 V C -1.901 174.259 176.094 0.110 0.000 1.120 105 V CA -2.619 59.693 62.300 0.020 0.000 0.980 105 V CB 3.139 34.941 31.823 -0.036 0.000 1.033 105 V HN -0.943 7.200 8.190 0.006 0.050 0.429 106 S N 5.190 120.942 115.700 0.086 0.000 2.505 106 S HA 0.044 4.600 4.470 0.143 0.000 0.276 106 S C -0.562 174.147 174.600 0.180 0.000 1.274 106 S CA -0.264 58.011 58.200 0.125 0.000 1.053 106 S CB -0.173 63.062 63.200 0.057 0.000 0.919 106 S HN 0.210 8.550 8.310 0.049 0.000 0.490 107 H N 9.196 128.272 119.070 0.010 0.000 2.690 107 H HA 0.235 4.832 4.556 0.068 0.000 0.314 107 H C -1.237 174.131 175.328 0.068 0.000 1.069 107 H CA -2.062 54.022 56.048 0.061 0.000 1.436 107 H CB 0.036 29.861 29.762 0.104 0.000 1.462 107 H HN -0.075 8.317 8.280 0.377 0.114 0.511 108 P HA -0.152 4.328 4.420 0.099 0.000 0.218 108 P C 0.381 177.778 177.300 0.161 0.000 1.149 108 P CA 1.995 65.175 63.100 0.133 0.000 0.817 108 P CB 0.192 31.959 31.700 0.111 0.000 0.785 109 E N -4.791 115.565 120.200 0.259 0.000 2.150 109 E HA -0.220 4.343 4.350 0.355 0.000 0.193 109 E C 0.897 177.535 176.600 0.064 0.000 0.985 109 E CA 2.794 59.396 56.400 0.336 0.000 0.814 109 E CB -0.796 29.321 29.700 0.695 0.000 0.752 109 E HN 0.446 8.957 8.360 0.306 0.033 0.466 110 T N -6.964 107.589 114.554 -0.001 0.000 2.975 110 T HA 0.165 4.333 4.350 -0.303 0.000 0.257 110 T C 0.388 175.014 174.700 -0.124 0.000 1.003 110 T CA -0.433 61.552 62.100 -0.192 0.000 0.932 110 T CB 1.546 70.221 68.868 -0.321 0.000 1.087 110 T HN -0.733 7.524 8.240 0.101 0.043 0.512 111 K N -3.014 117.368 120.400 -0.030 0.000 3.071 111 K HA -0.451 3.921 4.320 0.016 -0.043 0.265 111 K C -1.502 175.071 176.600 -0.044 0.000 1.060 111 K CA 0.769 57.044 56.287 -0.020 0.000 0.767 111 K CB -2.479 30.000 32.500 -0.035 0.000 1.241 111 K HN 0.222 8.486 8.250 0.025 0.000 0.486 112 A N -4.305 118.483 122.820 -0.052 0.000 2.594 112 A HA 0.237 4.518 4.320 -0.065 0.000 0.295 112 A C -1.887 175.636 177.584 -0.102 0.000 1.071 112 A CA -1.251 50.732 52.037 -0.091 0.000 0.685 112 A CB 3.071 21.977 19.000 -0.157 0.000 1.285 112 A HN -0.755 7.359 8.150 -0.028 0.019 0.405 113 V N -1.751 118.112 119.914 -0.085 0.000 3.139 113 V HA 0.394 4.767 4.120 0.040 -0.229 0.307 113 V C 0.658 176.574 176.094 -0.296 0.000 1.095 113 V CA -1.553 60.694 62.300 -0.088 0.000 1.160 113 V CB 0.425 32.218 31.823 -0.049 0.000 1.003 113 V HN 0.275 8.424 8.190 -0.069 0.000 0.489 114 G N -0.036 108.555 108.800 -0.349 0.000 2.606 114 G HA2 -0.004 3.850 3.960 -0.330 0.000 0.252 114 G HA3 -0.004 3.754 3.960 -0.555 -0.131 0.252 114 G C -0.107 174.666 174.900 -0.212 0.000 1.206 114 G CA -0.888 43.971 45.100 -0.401 0.000 0.861 114 G HN -0.202 8.006 8.290 -0.136 0.000 0.561 115 D N 1.491 121.796 120.400 -0.159 0.000 2.324 115 D HA -0.283 4.471 4.640 -0.073 -0.158 0.235 115 D C -0.113 176.187 176.300 -0.000 0.000 1.095 115 D CA -1.210 52.747 54.000 -0.072 0.000 0.871 115 D CB -0.514 40.256 40.800 -0.051 0.000 0.906 115 D HN -0.294 7.975 8.370 -0.168 0.000 0.522 116 N N -0.571 118.121 118.700 -0.014 0.000 2.648 116 N HA -0.505 4.400 4.740 0.134 -0.085 0.265 116 N C -2.293 173.411 175.510 0.323 0.000 1.100 116 N CA 1.664 54.823 53.050 0.181 0.000 0.715 116 N CB -1.048 37.577 38.487 0.229 0.000 0.881 116 N HN -0.289 7.928 8.380 -0.121 0.090 0.548 117 D N -1.521 119.078 120.400 0.332 0.000 2.720 117 D HA 0.408 5.167 4.640 0.200 0.000 0.239 117 D C -2.681 173.736 176.300 0.195 0.000 1.218 117 D CA -1.050 53.078 54.000 0.213 0.000 0.748 117 D CB 3.285 44.128 40.800 0.072 0.000 1.387 117 D HN -0.716 7.817 8.370 0.271 0.000 0.438 118 P HA -0.083 4.536 4.420 0.150 -0.109 0.270 118 P C -0.673 176.614 177.300 -0.021 0.000 1.221 118 P CA 0.119 63.196 63.100 -0.038 0.000 0.788 118 P CB 0.711 32.222 31.700 -0.316 0.000 0.904 119 I N -0.536 120.035 120.570 0.001 0.000 2.692 119 I HA -0.294 3.877 4.170 0.001 0.000 0.284 119 I C -0.994 174.985 176.117 -0.230 0.000 1.159 119 I CA 0.426 61.698 61.300 -0.046 0.000 1.423 119 I CB 1.491 39.491 38.000 0.001 0.000 1.380 119 I HN 0.016 8.262 8.210 0.059 0.000 0.580 120 D N 8.014 128.263 120.400 -0.253 0.000 2.225 120 D HA 0.422 4.900 4.640 -0.520 -0.150 0.249 120 D C -0.795 175.150 176.300 -0.592 0.000 1.052 120 D CA -0.406 53.332 54.000 -0.437 0.000 0.909 120 D CB 1.874 42.504 40.800 -0.283 0.000 1.186 120 D HN -0.191 8.089 8.370 -0.150 0.000 0.431 121 V N 1.150 120.585 119.914 -0.799 0.000 2.638 121 V HA 0.313 4.176 4.120 -0.675 -0.147 0.306 121 V C -1.384 174.316 176.094 -0.656 0.000 1.052 121 V CA -0.811 61.024 62.300 -0.775 0.000 0.885 121 V CB 3.108 34.318 31.823 -1.022 0.000 0.999 121 V HN 0.336 7.881 8.190 -0.922 0.091 0.424 122 L N 6.000 126.932 121.223 -0.484 0.000 2.276 122 L HA 0.487 4.748 4.340 -0.318 -0.111 0.286 122 L C -1.767 174.920 176.870 -0.306 0.000 1.024 122 L CA -1.320 53.277 54.840 -0.405 0.000 0.826 122 L CB 0.725 42.407 42.059 -0.628 0.000 1.211 122 L HN 0.940 8.894 8.230 -0.460 0.000 0.422 123 E N 4.630 124.700 120.200 -0.217 0.000 2.113 123 E HA 0.506 4.972 4.350 -0.185 -0.226 0.273 123 E C -0.209 176.307 176.600 -0.140 0.000 0.924 123 E CA -2.112 54.182 56.400 -0.176 0.000 0.764 123 E CB 2.421 32.021 29.700 -0.167 0.000 1.104 123 E HN 0.279 8.528 8.360 -0.184 0.000 0.406 124 I N 0.728 121.189 120.570 -0.182 0.000 3.875 124 I HA 0.354 4.432 4.170 -0.154 0.000 0.329 124 I C -0.336 175.686 176.117 -0.158 0.000 1.295 124 I CA -1.152 60.004 61.300 -0.240 0.000 1.129 124 I CB 0.095 37.787 38.000 -0.513 0.000 1.008 124 I HN -0.179 7.911 8.210 -0.199 0.000 0.413 125 G N -0.013 108.747 108.800 -0.067 0.000 2.683 125 G HA2 -0.057 4.028 3.960 0.028 0.000 0.260 125 G HA3 -0.057 4.017 3.960 0.149 -0.024 0.260 125 G C 0.097 175.033 174.900 0.059 0.000 1.238 125 G CA -0.770 44.360 45.100 0.051 0.000 0.934 125 G HN -0.604 7.842 8.290 -0.090 -0.210 0.534 126 E N -1.827 118.427 120.200 0.090 0.000 2.152 126 E HA -0.213 4.189 4.350 0.087 0.000 0.192 126 E C 0.951 177.568 176.600 0.028 0.000 0.983 126 E CA 2.419 58.863 56.400 0.074 0.000 0.818 126 E CB 0.113 29.864 29.700 0.084 0.000 0.758 126 E HN 0.324 9.096 8.360 0.099 -0.353 0.467 127 T N -2.371 112.195 114.554 0.019 0.000 2.856 127 T HA 0.006 4.379 4.350 0.039 0.000 0.292 127 T C -0.079 174.609 174.700 -0.020 0.000 0.980 127 T CA -0.545 61.568 62.100 0.021 0.000 1.091 127 T CB 0.716 69.606 68.868 0.037 0.000 0.936 127 T HN -0.459 7.794 8.240 0.022 0.000 0.503 128 I N 4.198 124.764 120.570 -0.007 0.000 2.533 128 I HA -0.279 3.966 4.170 -0.105 -0.139 0.284 128 I C 0.292 176.417 176.117 0.014 0.000 1.109 128 I CA 0.267 61.547 61.300 -0.033 0.000 1.412 128 I CB 0.137 38.146 38.000 0.015 0.000 1.396 128 I HN 0.279 8.506 8.210 0.029 0.000 0.543 129 A N 8.597 131.401 122.820 -0.028 0.000 2.249 129 A HA 0.100 4.493 4.320 0.008 -0.068 0.281 129 A C -1.489 176.128 177.584 0.055 0.000 1.127 129 A CA -0.447 51.572 52.037 -0.030 0.000 0.833 129 A CB 2.042 20.959 19.000 -0.138 0.000 1.140 129 A HN -0.138 8.287 8.150 -0.073 -0.318 0.502 130 Y N -4.288 116.002 120.300 -0.017 0.000 2.536 130 Y HA 0.325 4.876 4.550 0.001 0.000 0.347 130 Y C -0.733 175.163 175.900 -0.007 0.000 1.000 130 Y CA -2.627 55.473 58.100 -0.001 0.000 1.051 130 Y CB 1.974 40.445 38.460 0.018 0.000 1.259 130 Y HN -0.050 8.275 8.280 -0.348 -0.253 0.468 131 T N 3.775 118.421 114.554 0.152 0.000 2.902 131 T HA -0.389 4.075 4.350 -0.024 -0.129 0.301 131 T C 0.857 175.608 174.700 0.084 0.000 1.012 131 T CA 2.531 64.674 62.100 0.071 0.000 1.151 131 T CB -0.315 68.644 68.868 0.151 0.000 0.946 131 T HN 0.331 8.703 8.240 0.220 0.000 0.542 132 G N 7.739 116.509 108.800 -0.050 0.000 2.176 132 G HA2 -0.437 3.541 3.960 0.030 0.000 0.253 132 G HA3 -0.437 3.472 3.960 -0.085 0.000 0.253 132 G C -0.889 173.936 174.900 -0.125 0.000 0.979 132 G CA -0.061 45.009 45.100 -0.050 0.000 0.641 132 G HN 0.634 8.868 8.290 -0.093 0.000 0.530 133 Q N 0.423 119.963 119.800 -0.432 0.000 2.330 133 Q HA -0.164 3.869 4.340 -0.511 0.000 0.279 133 Q C -0.915 174.887 176.000 -0.330 0.000 1.024 133 Q CA 0.198 55.604 55.803 -0.662 0.000 0.900 133 Q CB 1.033 29.008 28.738 -1.272 0.000 1.221 133 Q HN -0.491 7.406 8.270 -0.494 0.077 0.396 134 V N 5.353 125.146 119.914 -0.203 0.000 2.328 134 V HA 0.631 4.858 4.120 -0.204 -0.230 0.278 134 V C -0.165 175.878 176.094 -0.085 0.000 1.021 134 V CA -1.399 60.796 62.300 -0.175 0.000 0.838 134 V CB -0.358 31.297 31.823 -0.281 0.000 0.999 134 V HN 0.262 8.378 8.190 -0.123 0.000 0.447 135 K N 7.166 127.512 120.400 -0.090 0.000 2.340 135 K HA 0.462 4.777 4.320 -0.009 0.000 0.244 135 K C -1.565 175.037 176.600 0.004 0.000 0.973 135 K CA -2.340 53.924 56.287 -0.038 0.000 0.828 135 K CB 2.617 35.079 32.500 -0.063 0.000 1.226 135 K HN 0.437 8.618 8.250 -0.114 0.000 0.437 136 Q N 1.485 121.298 119.800 0.022 0.000 2.278 136 Q HA 0.885 5.480 4.340 0.050 -0.225 0.257 136 Q C -0.325 175.705 176.000 0.050 0.000 0.928 136 Q CA -0.243 55.583 55.803 0.038 0.000 0.932 136 Q CB 1.350 30.102 28.738 0.023 0.000 1.221 136 Q HN 0.393 8.674 8.270 0.019 0.000 0.434 137 V N -1.804 118.171 119.914 0.102 0.000 3.040 137 V HA 0.813 5.116 4.120 0.072 -0.139 0.312 137 V C -1.794 174.401 176.094 0.168 0.000 1.115 137 V CA -3.066 59.308 62.300 0.123 0.000 0.998 137 V CB 3.799 35.712 31.823 0.149 0.000 1.042 137 V HN 0.753 9.021 8.190 0.130 0.000 0.433 138 K N 0.862 121.339 120.400 0.128 0.000 2.110 138 K HA 0.475 4.906 4.320 0.184 0.000 0.263 138 K C -0.539 176.165 176.600 0.174 0.000 0.975 138 K CA -1.635 54.740 56.287 0.148 0.000 0.895 138 K CB 1.931 34.474 32.500 0.073 0.000 1.060 138 K HN 0.129 8.430 8.250 0.085 0.000 0.448 139 A N 2.404 125.357 122.820 0.223 0.000 2.331 139 A HA 0.197 4.682 4.320 0.092 -0.110 0.283 139 A C -0.964 176.663 177.584 0.073 0.000 1.142 139 A CA -0.259 51.856 52.037 0.129 0.000 0.812 139 A CB 0.941 20.008 19.000 0.111 0.000 1.074 139 A HN 0.527 8.856 8.150 0.298 0.000 0.497 140 L N 0.658 121.896 121.223 0.024 0.000 2.717 140 L HA 0.237 4.597 4.340 0.033 0.000 0.239 140 L C -0.411 176.464 176.870 0.008 0.000 1.086 140 L CA -0.310 54.539 54.840 0.016 0.000 0.897 140 L CB 1.702 43.758 42.059 -0.005 0.000 1.214 140 L HN 0.493 8.724 8.230 0.002 0.000 0.508 141 G N -4.591 104.204 108.800 -0.009 0.000 2.325 141 G HA2 0.153 4.165 3.960 -0.016 0.000 0.295 141 G HA3 0.153 4.216 3.960 0.003 -0.102 0.295 141 G C -3.229 171.658 174.900 -0.021 0.000 1.274 141 G CA 0.475 45.568 45.100 -0.011 0.000 0.857 141 G HN -0.814 7.465 8.290 -0.019 0.000 0.499 142 I N -1.028 119.540 120.570 -0.005 0.000 2.787 142 I HA 0.600 4.967 4.170 0.031 -0.178 0.294 142 I C -3.025 173.180 176.117 0.148 0.000 1.365 142 I CA -0.993 60.342 61.300 0.057 0.000 1.029 142 I CB 4.060 42.088 38.000 0.046 0.000 1.313 142 I HN 0.081 8.281 8.210 -0.016 0.000 0.431 143 M N 4.949 124.689 119.600 0.233 0.000 2.383 143 M HA 0.443 5.078 4.480 0.258 0.000 0.325 143 M C -1.614 174.924 176.300 0.397 0.000 1.092 143 M CA -1.208 54.266 55.300 0.290 0.000 0.961 143 M CB 4.781 37.499 32.600 0.197 0.000 1.672 143 M HN 0.252 8.661 8.290 0.199 0.000 0.438 144 A N 3.230 126.227 122.820 0.295 0.000 3.015 144 A HA 0.318 4.237 4.320 -0.668 0.000 0.293 144 A C -2.435 174.989 177.584 -0.267 0.000 1.572 144 A CA -1.435 50.423 52.037 -0.299 0.000 1.274 144 A CB -0.526 18.151 19.000 -0.538 0.000 1.156 144 A HN 0.918 9.297 8.150 0.380 0.000 0.562 145 L N 3.304 124.282 121.223 -0.407 0.000 2.410 145 L HA 0.028 3.521 4.340 -1.412 0.000 0.273 145 L C -1.564 174.953 176.870 -0.588 0.000 1.152 145 L CA 0.310 54.642 54.840 -0.846 0.000 0.855 145 L CB 1.376 42.974 42.059 -0.769 0.000 1.129 145 L HN -0.533 7.540 8.230 -0.262 0.000 0.463 146 L N 6.105 127.011 121.223 -0.527 0.000 2.272 146 L HA 0.392 4.713 4.340 -0.352 -0.193 0.284 146 L C -1.328 175.373 176.870 -0.281 0.000 1.045 146 L CA -1.566 53.059 54.840 -0.359 0.000 0.842 146 L CB -1.124 40.761 42.059 -0.289 0.000 1.224 146 L HN 0.555 8.425 8.230 -0.600 0.000 0.430 147 D N 4.346 124.615 120.400 -0.219 0.000 2.359 147 D HA 0.163 4.895 4.640 -0.105 -0.156 0.230 147 D C -0.087 176.154 176.300 -0.099 0.000 1.118 147 D CA -1.439 52.490 54.000 -0.118 0.000 0.844 147 D CB 0.928 41.702 40.800 -0.045 0.000 1.059 147 D HN 0.215 8.446 8.370 -0.232 0.000 0.493 148 E N 6.885 127.028 120.200 -0.096 0.000 2.269 148 E HA -0.416 3.880 4.350 -0.089 0.000 0.223 148 E C -0.197 176.348 176.600 -0.092 0.000 1.244 148 E CA 1.018 57.366 56.400 -0.088 0.000 0.713 148 E CB -1.972 27.684 29.700 -0.074 0.000 1.178 148 E HN 0.573 9.188 8.360 -0.098 -0.314 0.370 149 G N -5.566 103.166 108.800 -0.113 0.000 2.155 149 G HA2 -0.451 3.452 3.960 -0.096 0.000 0.257 149 G HA3 -0.451 3.434 3.960 -0.125 0.000 0.257 149 G C -0.952 173.868 174.900 -0.133 0.000 0.983 149 G CA 0.094 45.124 45.100 -0.116 0.000 0.676 149 G HN 0.526 8.726 8.290 -0.124 0.015 0.528 150 E N -0.264 119.845 120.200 -0.152 0.000 2.227 150 E HA 0.323 4.651 4.350 -0.182 -0.088 0.268 150 E C -0.587 175.861 176.600 -0.254 0.000 0.907 150 E CA -2.095 54.197 56.400 -0.180 0.000 0.786 150 E CB 2.784 32.401 29.700 -0.139 0.000 1.191 150 E HN -0.532 7.570 8.360 -0.146 0.170 0.411 151 T N 4.351 118.705 114.554 -0.333 0.000 2.829 151 T HA -0.169 3.892 4.350 -0.481 0.000 0.293 151 T C -1.312 173.182 174.700 -0.343 0.000 0.970 151 T CA 2.849 64.683 62.100 -0.443 0.000 1.168 151 T CB -0.020 68.479 68.868 -0.615 0.000 0.911 151 T HN 0.531 8.570 8.240 -0.335 0.000 0.535 152 D N 5.942 126.130 120.400 -0.354 0.000 3.060 152 D HA 0.270 4.843 4.640 -0.112 0.000 0.326 152 D C -0.991 175.209 176.300 -0.167 0.000 1.253 152 D CA -1.677 52.204 54.000 -0.199 0.000 0.737 152 D CB 0.730 41.425 40.800 -0.175 0.000 1.260 152 D HN -0.191 7.888 8.370 -0.484 0.000 0.542 153 W N 0.348 121.579 121.300 -0.115 0.000 2.274 153 W HA -0.274 4.527 4.660 -0.062 -0.178 0.345 153 W C -0.276 176.143 176.519 -0.166 0.000 1.265 153 W CA 0.821 58.114 57.345 -0.088 0.000 1.293 153 W CB 0.407 29.855 29.460 -0.020 0.000 1.175 153 W HN -0.734 7.610 8.180 0.047 -0.136 0.577 154 K N 0.040 120.493 120.400 0.088 0.000 2.483 154 K HA 0.384 4.716 4.320 -0.197 -0.130 0.256 154 K C -0.911 175.633 176.600 -0.094 0.000 0.961 154 K CA -2.251 53.959 56.287 -0.129 0.000 0.873 154 K CB 0.527 32.844 32.500 -0.304 0.000 1.107 154 K HN 0.416 8.783 8.250 0.195 0.000 0.432 155 V N 6.166 125.966 119.914 -0.190 0.000 2.614 155 V HA 0.044 4.223 4.120 -0.107 -0.123 0.291 155 V C -0.923 175.033 176.094 -0.231 0.000 1.049 155 V CA -0.314 61.873 62.300 -0.189 0.000 1.038 155 V CB 0.488 32.156 31.823 -0.258 0.000 0.980 155 V HN 0.566 8.601 8.190 -0.258 0.000 0.481 156 I N 6.666 127.140 120.570 -0.159 0.000 2.315 156 I HA 0.281 4.433 4.170 -0.232 -0.121 0.291 156 I C -1.506 174.532 176.117 -0.133 0.000 1.006 156 I CA -2.421 58.776 61.300 -0.173 0.000 1.265 156 I CB -1.592 36.330 38.000 -0.130 0.000 1.387 156 I HN 0.333 8.369 8.210 -0.112 0.107 0.475 157 A N 7.768 130.493 122.820 -0.157 0.000 2.566 157 A HA 1.001 5.556 4.320 -0.038 -0.258 0.292 157 A C -2.747 174.775 177.584 -0.103 0.000 1.112 157 A CA -2.063 49.923 52.037 -0.085 0.000 0.707 157 A CB 4.627 23.596 19.000 -0.051 0.000 1.302 157 A HN 0.805 8.833 8.150 -0.202 0.000 0.409 158 I N -0.904 119.638 120.570 -0.047 0.000 2.647 158 I HA 0.386 4.645 4.170 -0.080 -0.137 0.295 158 I C -1.896 174.216 176.117 -0.008 0.000 1.078 158 I CA -2.410 58.861 61.300 -0.049 0.000 1.048 158 I CB 4.499 42.474 38.000 -0.042 0.000 1.239 158 I HN 0.068 8.274 8.210 -0.006 0.000 0.421 159 D N 7.941 128.333 120.400 -0.014 0.000 2.531 159 D HA -0.084 4.726 4.640 0.005 -0.167 0.239 159 D C 2.203 178.510 176.300 0.011 0.000 1.144 159 D CA 1.064 55.064 54.000 0.000 0.000 0.869 159 D CB 0.598 41.393 40.800 -0.007 0.000 1.160 159 D HN -0.102 8.583 8.370 -0.030 -0.333 0.484 160 I N 1.140 121.720 120.570 0.015 0.000 2.850 160 I HA -0.229 3.947 4.170 0.010 0.000 0.266 160 I C -0.210 175.912 176.117 0.009 0.000 1.257 160 I CA 1.933 63.239 61.300 0.011 0.000 1.465 160 I CB -0.445 37.559 38.000 0.007 0.000 1.091 160 I HN 0.205 8.426 8.210 0.019 0.000 0.467 161 N N -2.269 116.438 118.700 0.012 0.000 2.353 161 N HA 0.066 4.813 4.740 0.012 0.000 0.185 161 N C -0.308 175.211 175.510 0.016 0.000 1.098 161 N CA 0.692 53.751 53.050 0.014 0.000 0.872 161 N CB 0.325 38.824 38.487 0.020 0.000 0.970 161 N HN -0.332 8.332 8.380 0.013 -0.276 0.467 162 D N 2.637 123.047 120.400 0.018 0.000 2.455 162 D HA 0.071 4.729 4.640 0.029 0.000 0.241 162 D C -0.176 176.132 176.300 0.014 0.000 1.138 162 D CA -0.713 53.303 54.000 0.026 0.000 0.877 162 D CB 1.395 42.221 40.800 0.044 0.000 1.187 162 D HN -0.656 7.557 8.370 0.016 0.167 0.451 163 P HA -0.135 4.282 4.420 -0.006 0.000 0.217 163 P C -0.055 177.225 177.300 -0.034 0.000 1.148 163 P CA 1.899 64.995 63.100 -0.007 0.000 0.828 163 P CB 0.251 31.948 31.700 -0.004 0.000 0.783 164 L N -5.445 115.754 121.223 -0.040 0.000 2.509 164 L HA 0.041 4.281 4.340 -0.166 0.000 0.222 164 L C 1.315 178.131 176.870 -0.091 0.000 1.123 164 L CA 0.147 54.919 54.840 -0.113 0.000 0.856 164 L CB -0.311 41.668 42.059 -0.133 0.000 0.985 164 L HN -0.176 8.339 8.230 -0.007 -0.289 0.456 165 A N 0.768 123.570 122.820 -0.029 0.000 1.927 165 A HA -0.220 4.097 4.320 -0.006 0.000 0.220 165 A C -1.466 176.096 177.584 -0.035 0.000 1.185 165 A CA 5.000 57.026 52.037 -0.018 0.000 0.639 165 A CB -2.768 16.232 19.000 -0.001 0.000 0.820 165 A HN 0.059 8.035 8.150 -0.013 0.166 0.451 166 P HA -0.197 4.211 4.420 -0.020 0.000 0.222 166 P C 0.402 177.675 177.300 -0.044 0.000 1.147 166 P CA 1.674 64.754 63.100 -0.033 0.000 0.790 166 P CB -0.312 31.370 31.700 -0.029 0.000 0.780 167 K N -5.730 114.608 120.400 -0.104 0.000 2.393 167 K HA 0.021 4.313 4.320 -0.047 0.000 0.193 167 K C -0.870 175.675 176.600 -0.092 0.000 1.026 167 K CA 0.179 56.383 56.287 -0.139 0.000 1.064 167 K CB 0.826 33.101 32.500 -0.375 0.000 0.833 167 K HN -0.353 7.651 8.250 -0.132 0.167 0.521 168 L N -0.572 120.618 121.223 -0.056 0.000 2.294 168 L HA 0.091 4.479 4.340 0.080 0.000 0.283 168 L C -1.991 174.903 176.870 0.040 0.000 1.015 168 L CA -0.394 54.464 54.840 0.029 0.000 0.831 168 L CB 0.409 42.493 42.059 0.042 0.000 1.217 168 L HN -0.603 7.422 8.230 -0.063 0.167 0.420 169 N N 1.181 119.917 118.700 0.061 0.000 2.419 169 N HA 0.230 4.993 4.740 0.038 0.000 0.216 169 N C -1.092 174.448 175.510 0.051 0.000 1.118 169 N CA 0.594 53.673 53.050 0.048 0.000 0.850 169 N CB 3.215 41.728 38.487 0.044 0.000 1.292 169 N HN 0.561 9.345 8.380 0.084 -0.353 0.467 170 D N -2.534 117.902 120.400 0.061 0.000 2.664 170 D HA 0.315 4.982 4.640 0.045 0.000 0.292 170 D C -0.161 176.173 176.300 0.056 0.000 1.214 170 D CA -1.524 52.507 54.000 0.051 0.000 0.932 170 D CB 2.912 43.739 40.800 0.045 0.000 1.420 170 D HN -0.613 8.069 8.370 0.076 -0.267 0.471 171 I N 1.262 121.856 120.570 0.039 0.000 2.394 171 I HA -0.356 3.831 4.170 0.029 0.000 0.251 171 I C 0.376 176.523 176.117 0.051 0.000 1.136 171 I CA 1.934 63.254 61.300 0.032 0.000 1.425 171 I CB 0.424 38.428 38.000 0.008 0.000 1.079 171 I HN 0.395 8.625 8.210 0.033 0.000 0.425 172 E N -1.959 118.273 120.200 0.053 0.000 2.204 172 E HA -0.358 4.021 4.350 0.048 0.000 0.195 172 E C 1.827 178.484 176.600 0.096 0.000 0.990 172 E CA 3.489 59.924 56.400 0.058 0.000 0.821 172 E CB -1.160 28.567 29.700 0.044 0.000 0.750 172 E HN 0.207 8.575 8.360 0.046 0.020 0.477 173 D N -1.146 119.335 120.400 0.135 0.000 2.224 173 D HA -0.142 4.640 4.640 0.237 0.000 0.205 173 D C 1.950 178.449 176.300 0.332 0.000 0.965 173 D CA 2.954 57.099 54.000 0.243 0.000 0.852 173 D CB -0.353 40.600 40.800 0.255 0.000 0.947 173 D HN -0.340 7.962 8.370 0.115 0.136 0.494 174 V N -0.558 119.497 119.914 0.235 0.000 2.332 174 V HA -0.419 3.956 4.120 0.425 0.000 0.248 174 V C 1.910 178.180 176.094 0.293 0.000 1.055 174 V CA 4.435 66.897 62.300 0.270 0.000 1.038 174 V CB -0.492 31.377 31.823 0.077 0.000 0.651 174 V HN -0.643 7.530 8.190 0.162 0.114 0.450 175 E N -1.011 119.289 120.200 0.166 0.000 2.106 175 E HA -0.303 4.130 4.350 0.139 0.000 0.192 175 E C 1.949 178.600 176.600 0.085 0.000 0.984 175 E CA 2.662 59.134 56.400 0.121 0.000 0.806 175 E CB -0.571 29.168 29.700 0.065 0.000 0.750 175 E HN -0.200 8.239 8.360 0.132 0.000 0.458 176 K N -0.948 119.480 120.400 0.047 0.000 2.026 176 K HA -0.261 3.974 4.320 -0.142 0.000 0.208 176 K C 2.045 178.497 176.600 -0.248 0.000 1.048 176 K CA 2.925 59.125 56.287 -0.145 0.000 0.929 176 K CB 0.059 32.406 32.500 -0.255 0.000 0.713 176 K HN -0.765 7.524 8.250 0.090 0.016 0.439 177 Y N -6.428 113.903 120.300 0.051 0.000 2.497 177 Y HA -0.045 4.415 4.550 -0.149 0.000 0.265 177 Y C 0.349 176.041 175.900 -0.347 0.000 1.111 177 Y CA 1.447 59.465 58.100 -0.138 0.000 1.288 177 Y CB 1.559 39.916 38.460 -0.170 0.000 1.082 177 Y HN -0.698 7.754 8.280 0.286 0.000 0.536 178 F N -3.187 116.854 119.950 0.151 0.000 2.597 178 F HA 0.486 5.076 4.527 0.104 0.000 0.336 178 F C -2.261 173.582 175.800 0.071 0.000 1.432 178 F CA -3.256 54.807 58.000 0.105 0.000 1.120 178 F CB -0.315 38.745 39.000 0.100 0.000 1.253 178 F HN -0.116 8.429 8.300 0.408 0.000 0.546 179 P HA -0.198 4.548 4.420 0.105 -0.263 0.264 179 P C 1.110 178.478 177.300 0.114 0.000 1.193 179 P CA 0.743 63.906 63.100 0.104 0.000 0.763 179 P CB -0.494 31.233 31.700 0.046 0.000 0.810 180 G N 3.034 111.895 108.800 0.102 0.000 2.225 180 G HA2 -0.489 3.528 3.960 0.095 0.000 0.254 180 G HA3 -0.489 3.520 3.960 0.081 0.000 0.254 180 G C 0.659 175.629 174.900 0.116 0.000 0.988 180 G CA 0.299 45.458 45.100 0.097 0.000 0.625 180 G HN 0.331 8.956 8.290 0.092 -0.279 0.527 181 L N 1.766 123.075 121.223 0.144 0.000 2.017 181 L HA -0.215 4.203 4.340 0.129 0.000 0.208 181 L C 0.749 177.685 176.870 0.110 0.000 1.073 181 L CA 3.269 58.192 54.840 0.137 0.000 0.745 181 L CB -0.168 41.990 42.059 0.165 0.000 0.894 181 L HN -0.421 7.829 8.230 0.168 0.081 0.432 182 L N -2.748 118.526 121.223 0.085 0.000 2.083 182 L HA -0.387 3.986 4.340 0.055 0.000 0.209 182 L C 1.985 178.877 176.870 0.036 0.000 1.083 182 L CA 3.455 58.324 54.840 0.049 0.000 0.752 182 L CB -0.987 41.083 42.059 0.018 0.000 0.899 182 L HN 0.036 8.321 8.230 0.092 0.000 0.433 183 R N -2.080 118.448 120.500 0.046 0.000 2.096 183 R HA -0.344 4.001 4.340 0.009 0.000 0.235 183 R C 2.081 178.431 176.300 0.082 0.000 1.127 183 R CA 2.847 58.973 56.100 0.043 0.000 0.968 183 R CB -0.931 29.398 30.300 0.048 0.000 0.861 183 R HN -0.120 8.183 8.270 0.056 0.000 0.440 184 A N -0.834 122.054 122.820 0.112 0.000 1.969 184 A HA -0.161 4.276 4.320 0.194 0.000 0.218 184 A C 1.732 179.375 177.584 0.099 0.000 1.169 184 A CA 3.045 55.168 52.037 0.144 0.000 0.635 184 A CB -0.823 18.281 19.000 0.174 0.000 0.810 184 A HN -0.067 8.147 8.150 0.107 0.000 0.445 185 T N 1.169 115.807 114.554 0.140 0.000 2.777 185 T HA -0.421 4.104 4.350 0.291 0.000 0.266 185 T C 1.818 176.727 174.700 0.349 0.000 1.040 185 T CA 5.068 67.333 62.100 0.274 0.000 1.141 185 T CB -0.552 68.486 68.868 0.284 0.000 0.868 185 T HN -0.156 8.049 8.240 0.127 0.112 0.444 186 N N 1.743 120.520 118.700 0.129 0.000 2.069 186 N HA -0.389 4.272 4.740 -0.133 0.000 0.191 186 N C 1.616 177.290 175.510 0.274 0.000 1.031 186 N CA 3.983 57.040 53.050 0.011 0.000 0.852 186 N CB 0.103 38.457 38.487 -0.223 0.000 1.018 186 N HN -0.351 8.064 8.380 0.058 0.000 0.423 187 E N 1.246 121.566 120.200 0.200 0.000 2.051 187 E HA -0.333 4.134 4.350 0.194 0.000 0.192 187 E C 1.778 178.503 176.600 0.207 0.000 0.991 187 E CA 2.951 59.474 56.400 0.206 0.000 0.799 187 E CB -0.129 29.694 29.700 0.205 0.000 0.748 187 E HN -0.508 7.945 8.360 0.155 0.000 0.449 188 W N 0.384 121.646 121.300 -0.063 0.000 2.317 188 W HA -0.392 4.124 4.660 -0.241 0.000 0.318 188 W C 1.866 178.240 176.519 -0.243 0.000 1.227 188 W CA 4.127 61.293 57.345 -0.297 0.000 1.269 188 W CB 0.092 29.175 29.460 -0.629 0.000 1.155 188 W HN -0.064 8.259 8.180 0.238 0.000 0.484 189 F N -5.183 115.037 119.950 0.450 0.000 2.407 189 F HA -0.343 4.338 4.527 0.258 0.000 0.299 189 F C 1.822 177.800 175.800 0.296 0.000 1.097 189 F CA 3.572 61.785 58.000 0.355 0.000 1.422 189 F CB -0.344 38.853 39.000 0.329 0.000 1.067 189 F HN -0.661 7.973 8.300 0.556 0.000 0.539 190 R N -2.395 118.353 120.500 0.413 0.000 2.075 190 R HA -0.352 4.105 4.340 0.196 0.000 0.232 190 R C 1.775 178.133 176.300 0.098 0.000 1.126 190 R CA 3.546 59.788 56.100 0.237 0.000 0.963 190 R CB 0.718 31.162 30.300 0.240 0.000 0.858 190 R HN -0.609 7.859 8.270 0.473 0.085 0.435 191 I N -4.242 116.349 120.570 0.034 0.000 4.070 191 I HA 0.205 4.331 4.170 -0.074 0.000 0.328 191 I C 0.882 176.868 176.117 -0.218 0.000 1.298 191 I CA 0.956 62.208 61.300 -0.080 0.000 1.173 191 I CB 0.545 38.512 38.000 -0.056 0.000 1.051 191 I HN -0.353 7.887 8.210 0.049 0.000 0.409 192 Y N 0.540 120.514 120.300 -0.544 0.000 2.403 192 Y HA -0.128 3.945 4.550 -0.795 0.000 0.291 192 Y C -0.365 175.235 175.900 -0.499 0.000 1.143 192 Y CA 0.724 58.349 58.100 -0.792 0.000 1.257 192 Y CB -0.974 36.569 38.460 -1.529 0.000 0.984 192 Y HN -0.595 7.678 8.280 -0.012 0.000 0.550 193 K N -2.341 117.564 120.400 -0.825 0.000 2.358 193 K HA 0.022 3.982 4.320 -0.600 0.000 0.197 193 K C 1.061 177.425 176.600 -0.393 0.000 1.025 193 K CA -0.246 55.651 56.287 -0.650 0.000 1.104 193 K CB -0.485 31.583 32.500 -0.719 0.000 0.855 193 K HN -0.457 7.288 8.250 -0.785 0.034 0.531 194 I N 1.821 122.198 120.570 -0.322 0.000 2.286 194 I HA -0.138 4.114 4.170 -0.193 -0.198 0.248 194 I C 0.045 176.008 176.117 -0.258 0.000 1.115 194 I CA 5.368 66.533 61.300 -0.224 0.000 1.392 194 I CB -1.916 35.994 38.000 -0.149 0.000 1.065 194 I HN -0.275 7.578 8.210 -0.330 0.159 0.418 195 P HA -0.151 3.967 4.420 -0.503 0.000 0.225 195 P C -0.181 176.886 177.300 -0.388 0.000 1.148 195 P CA 1.745 64.485 63.100 -0.599 0.000 0.779 195 P CB -0.453 30.490 31.700 -1.260 0.000 0.780 196 D N -4.837 115.383 120.400 -0.300 0.000 2.340 196 D HA 0.017 4.560 4.640 -0.162 0.000 0.220 196 D C 0.980 177.198 176.300 -0.137 0.000 1.039 196 D CA 0.094 53.977 54.000 -0.194 0.000 0.866 196 D CB 0.173 40.854 40.800 -0.198 0.000 0.913 196 D HN -0.618 7.396 8.370 -0.331 0.158 0.523 197 G N -2.288 106.429 108.800 -0.139 0.000 2.159 197 G HA2 -0.439 3.476 3.960 -0.075 0.000 0.227 197 G HA3 -0.439 3.473 3.960 -0.080 0.000 0.227 197 G C -0.260 174.580 174.900 -0.101 0.000 0.986 197 G CA -0.051 44.992 45.100 -0.095 0.000 0.651 197 G HN -0.406 7.599 8.290 -0.169 0.184 0.523 198 K N 1.418 121.734 120.400 -0.140 0.000 2.098 198 K HA 0.460 4.714 4.320 -0.109 0.000 0.257 198 K C -1.730 174.796 176.600 -0.124 0.000 0.999 198 K CA -3.089 53.116 56.287 -0.136 0.000 0.924 198 K CB -0.076 32.313 32.500 -0.184 0.000 1.028 198 K HN -0.573 7.529 8.250 -0.171 0.046 0.466 199 P HA -0.040 4.336 4.420 -0.072 0.000 0.271 199 P C -1.464 175.779 177.300 -0.095 0.000 1.233 199 P CA -0.432 62.618 63.100 -0.084 0.000 0.789 199 P CB 0.490 32.149 31.700 -0.068 0.000 0.951 200 E N 0.646 120.806 120.200 -0.067 0.000 2.442 200 E HA -0.341 4.133 4.350 -0.059 -0.160 0.262 200 E C 0.350 176.923 176.600 -0.046 0.000 1.004 200 E CA 0.851 57.222 56.400 -0.048 0.000 0.928 200 E CB 0.730 30.421 29.700 -0.015 0.000 0.937 200 E HN 0.104 8.431 8.360 -0.055 0.000 0.446 201 N N 4.830 123.510 118.700 -0.033 0.000 2.379 201 N HA 0.063 4.755 4.740 -0.081 0.000 0.260 201 N C -1.195 174.292 175.510 -0.038 0.000 1.254 201 N CA 0.262 53.278 53.050 -0.057 0.000 0.958 201 N CB 1.628 40.081 38.487 -0.056 0.000 1.208 201 N HN -0.145 8.225 8.380 -0.016 0.000 0.532 202 Q N -2.589 117.142 119.800 -0.115 0.000 2.456 202 Q HA 0.358 4.736 4.340 0.062 0.000 0.283 202 Q C -1.841 174.047 176.000 -0.186 0.000 1.084 202 Q CA -1.231 54.540 55.803 -0.054 0.000 0.801 202 Q CB 4.062 32.768 28.738 -0.054 0.000 1.434 202 Q HN -0.299 7.863 8.270 -0.181 0.000 0.419 203 F N -0.973 118.934 119.950 -0.071 0.000 2.522 203 F HA 0.702 5.285 4.527 -0.158 -0.151 0.324 203 F C 0.280 175.968 175.800 -0.187 0.000 1.077 203 F CA -1.498 56.431 58.000 -0.119 0.000 0.944 203 F CB 3.710 42.679 39.000 -0.052 0.000 1.175 203 F HN 0.228 8.691 8.300 0.273 0.000 0.468 204 A N 1.528 124.259 122.820 -0.149 0.000 2.346 204 A HA 0.050 4.155 4.320 -0.359 0.000 0.252 204 A C -0.320 177.099 177.584 -0.274 0.000 1.089 204 A CA -0.195 51.571 52.037 -0.452 0.000 0.797 204 A CB 0.912 19.321 19.000 -0.984 0.000 1.047 204 A HN 0.312 8.344 8.150 -0.196 0.000 0.494 205 F N -5.600 114.362 119.950 0.020 0.000 3.093 205 F HA -0.411 4.128 4.527 0.018 0.000 0.287 205 F C -0.057 175.748 175.800 0.009 0.000 0.882 205 F CA 0.217 58.226 58.000 0.014 0.000 1.063 205 F CB -2.528 36.469 39.000 -0.004 0.000 1.097 205 F HN 0.645 8.626 8.300 -0.533 0.000 0.604 206 S N -3.266 112.498 115.700 0.107 0.000 3.533 206 S HA -0.379 4.128 4.470 0.062 0.000 0.347 206 S C 0.301 174.929 174.600 0.047 0.000 1.101 206 S CA 1.472 59.716 58.200 0.074 0.000 1.009 206 S CB -1.310 61.929 63.200 0.064 0.000 0.916 206 S HN 0.496 8.805 8.310 0.053 0.033 0.496 207 G N -4.016 104.815 108.800 0.051 0.000 2.159 207 G HA2 -0.476 3.340 3.960 -0.239 0.000 0.256 207 G HA3 -0.476 3.309 3.960 -0.291 0.000 0.256 207 G C -0.622 174.197 174.900 -0.134 0.000 0.977 207 G CA -0.196 44.807 45.100 -0.163 0.000 0.652 207 G HN -0.304 8.019 8.290 0.122 0.039 0.531 208 E N 1.069 121.278 120.200 0.017 0.000 2.502 208 E HA -0.225 4.106 4.350 -0.033 0.000 0.261 208 E C -0.873 175.708 176.600 -0.033 0.000 0.974 208 E CA -0.220 56.176 56.400 -0.006 0.000 0.936 208 E CB 0.867 30.574 29.700 0.012 0.000 0.926 208 E HN -0.539 7.709 8.360 0.094 0.168 0.459 209 A N 7.545 130.329 122.820 -0.060 0.000 2.415 209 A HA 0.015 4.451 4.320 -0.035 -0.137 0.309 209 A C -0.246 177.286 177.584 -0.087 0.000 1.356 209 A CA -0.422 51.582 52.037 -0.055 0.000 0.998 209 A CB 0.367 19.339 19.000 -0.047 0.000 1.145 209 A HN 0.469 8.584 8.150 -0.059 0.000 0.545 210 K N 3.669 123.979 120.400 -0.150 0.000 2.276 210 K HA -0.079 4.090 4.320 -0.252 0.000 0.259 210 K C 0.037 176.575 176.600 -0.102 0.000 1.001 210 K CA -1.141 54.991 56.287 -0.257 0.000 0.927 210 K CB 0.978 33.064 32.500 -0.689 0.000 0.969 210 K HN -0.181 7.996 8.250 -0.122 0.000 0.490 211 N N 0.308 118.983 118.700 -0.041 0.000 2.364 211 N HA -0.011 4.730 4.740 0.002 0.000 0.264 211 N C 1.069 176.608 175.510 0.048 0.000 1.263 211 N CA -0.197 52.862 53.050 0.014 0.000 0.959 211 N CB 0.725 39.227 38.487 0.025 0.000 1.204 211 N HN -0.040 8.311 8.380 -0.048 0.000 0.550 212 K N -0.254 120.172 120.400 0.043 0.000 2.032 212 K HA -0.455 3.892 4.320 0.045 0.000 0.209 212 K C 1.661 178.297 176.600 0.059 0.000 1.048 212 K CA 4.781 61.097 56.287 0.050 0.000 0.927 212 K CB 0.038 32.568 32.500 0.049 0.000 0.712 212 K HN 0.039 8.649 8.250 0.037 -0.337 0.441 213 K N -1.126 119.308 120.400 0.057 0.000 2.057 213 K HA -0.264 4.076 4.320 0.034 0.000 0.207 213 K C 2.139 178.763 176.600 0.040 0.000 1.049 213 K CA 2.310 58.621 56.287 0.041 0.000 0.931 213 K CB -1.151 31.365 32.500 0.026 0.000 0.714 213 K HN -0.206 8.135 8.250 0.054 -0.059 0.440 214 Y N 0.204 120.467 120.300 -0.062 0.000 2.128 214 Y HA -0.339 4.151 4.550 -0.100 0.000 0.284 214 Y C 1.715 177.523 175.900 -0.154 0.000 1.154 214 Y CA 3.232 61.269 58.100 -0.104 0.000 1.149 214 Y CB -0.180 38.216 38.460 -0.107 0.000 0.976 214 Y HN -0.393 8.285 8.280 0.178 -0.291 0.505 215 A N -0.977 121.914 122.820 0.118 0.000 1.873 215 A HA -0.422 3.867 4.320 -0.051 0.000 0.218 215 A C 2.004 179.549 177.584 -0.066 0.000 1.193 215 A CA 3.240 55.271 52.037 -0.010 0.000 0.629 215 A CB -0.970 18.024 19.000 -0.010 0.000 0.826 215 A HN 0.017 8.247 8.150 0.134 0.000 0.447 216 L N -2.694 118.523 121.223 -0.009 0.000 2.042 216 L HA -0.530 3.827 4.340 0.028 0.000 0.210 216 L C 2.288 179.141 176.870 -0.028 0.000 1.076 216 L CA 3.112 57.965 54.840 0.021 0.000 0.749 216 L CB -0.743 41.367 42.059 0.086 0.000 0.893 216 L HN 0.067 8.310 8.230 0.022 0.000 0.432 217 D N -0.360 119.987 120.400 -0.087 0.000 2.117 217 D HA -0.254 4.337 4.640 -0.082 0.000 0.197 217 D C 2.796 178.991 176.300 -0.173 0.000 0.987 217 D CA 3.373 57.290 54.000 -0.138 0.000 0.829 217 D CB -0.486 40.165 40.800 -0.249 0.000 0.961 217 D HN -0.356 7.953 8.370 -0.087 0.010 0.460 218 I N -0.432 119.980 120.570 -0.262 0.000 2.286 218 I HA -0.332 3.655 4.170 -0.306 0.000 0.245 218 I C 1.944 177.931 176.117 -0.218 0.000 1.104 218 I CA 1.630 62.716 61.300 -0.356 0.000 1.397 218 I CB -0.716 36.821 38.000 -0.771 0.000 1.072 218 I HN -0.502 7.551 8.210 -0.262 0.000 0.417 219 I N 1.360 121.819 120.570 -0.184 0.000 2.151 219 I HA -0.606 3.496 4.170 -0.112 0.000 0.243 219 I C 2.499 178.593 176.117 -0.039 0.000 1.080 219 I CA 4.681 65.898 61.300 -0.139 0.000 1.339 219 I CB -0.357 37.470 38.000 -0.288 0.000 1.039 219 I HN 0.120 8.210 8.210 -0.199 0.000 0.409 220 K N -1.144 119.263 120.400 0.011 0.000 2.097 220 K HA -0.374 4.051 4.320 0.176 0.000 0.206 220 K C 2.610 179.284 176.600 0.124 0.000 1.049 220 K CA 3.747 60.105 56.287 0.119 0.000 0.933 220 K CB -0.371 32.207 32.500 0.130 0.000 0.717 220 K HN -0.226 8.016 8.250 -0.014 0.000 0.442 221 E N -1.199 119.028 120.200 0.046 0.000 2.077 221 E HA -0.299 4.085 4.350 0.058 0.000 0.193 221 E C 2.315 178.981 176.600 0.110 0.000 0.989 221 E CA 3.064 59.493 56.400 0.049 0.000 0.800 221 E CB 0.053 29.746 29.700 -0.011 0.000 0.746 221 E HN -0.388 7.969 8.360 -0.005 0.000 0.452 222 T N -1.692 112.934 114.554 0.120 0.000 2.915 222 T HA -0.243 4.240 4.350 0.222 0.000 0.269 222 T C 1.651 176.544 174.700 0.323 0.000 1.071 222 T CA 3.474 65.701 62.100 0.211 0.000 1.132 222 T CB -0.187 68.794 68.868 0.187 0.000 0.878 222 T HN -0.128 8.151 8.240 0.065 0.000 0.479 223 H N 3.349 122.510 119.070 0.152 0.000 2.357 223 H HA -0.034 4.867 4.556 0.230 -0.207 0.301 223 H C 1.797 177.311 175.328 0.310 0.000 1.082 223 H CA 3.250 59.418 56.048 0.200 0.000 1.342 223 H CB -0.040 29.762 29.762 0.068 0.000 1.389 223 H HN -0.302 8.039 8.280 0.277 0.106 0.511 224 D N -0.818 119.706 120.400 0.207 0.000 2.144 224 D HA -0.294 4.376 4.640 0.050 0.000 0.199 224 D C 2.565 178.957 176.300 0.154 0.000 0.984 224 D CA 3.478 57.547 54.000 0.115 0.000 0.834 224 D CB -0.732 40.123 40.800 0.092 0.000 0.955 224 D HN -0.298 8.214 8.370 0.237 0.000 0.465 225 S N 1.093 116.935 115.700 0.237 0.000 2.368 225 S HA -0.289 4.326 4.470 0.241 0.000 0.225 225 S C 1.538 176.402 174.600 0.440 0.000 1.030 225 S CA 3.260 61.653 58.200 0.323 0.000 0.999 225 S CB 0.094 63.499 63.200 0.342 0.000 0.844 225 S HN -0.415 7.958 8.310 0.238 0.081 0.459 226 W N 1.910 123.375 121.300 0.274 0.000 2.363 226 W HA -0.360 4.403 4.660 0.173 0.000 0.296 226 W C 0.867 177.382 176.519 -0.007 0.000 1.212 226 W CA 4.096 61.541 57.345 0.167 0.000 1.260 226 W CB 0.200 29.799 29.460 0.232 0.000 1.131 226 W HN -0.358 8.180 8.180 0.598 0.000 0.530 227 K N -1.791 118.589 120.400 -0.033 0.000 2.063 227 K HA -0.570 3.351 4.320 -0.664 0.000 0.208 227 K C 2.308 178.703 176.600 -0.342 0.000 1.048 227 K CA 3.658 59.750 56.287 -0.325 0.000 0.928 227 K CB -0.518 31.903 32.500 -0.132 0.000 0.713 227 K HN -0.266 8.015 8.250 0.187 0.081 0.442 228 Q N -0.554 119.152 119.800 -0.156 0.000 2.079 228 Q HA -0.257 4.004 4.340 -0.132 0.000 0.200 228 Q C 2.080 177.956 176.000 -0.207 0.000 0.974 228 Q CA 2.998 58.730 55.803 -0.119 0.000 0.840 228 Q CB 0.077 28.821 28.738 0.009 0.000 0.898 228 Q HN -0.663 7.567 8.270 -0.056 0.007 0.430 229 L N 0.552 121.621 121.223 -0.257 0.000 1.989 229 L HA -0.309 3.829 4.340 -0.338 0.000 0.211 229 L C 2.557 179.069 176.870 -0.597 0.000 1.071 229 L CA 3.179 57.749 54.840 -0.450 0.000 0.749 229 L CB -0.218 41.424 42.059 -0.695 0.000 0.890 229 L HN -0.422 7.643 8.230 -0.162 0.068 0.431 230 I N -2.006 118.045 120.570 -0.864 0.000 2.676 230 I HA -0.336 3.345 4.170 -0.815 0.000 0.259 230 I C 0.230 176.018 176.117 -0.548 0.000 1.194 230 I CA 0.893 61.666 61.300 -0.878 0.000 1.473 230 I CB 0.057 37.256 38.000 -1.334 0.000 1.096 230 I HN 0.080 7.677 8.210 -1.022 0.000 0.443 231 A N -3.229 119.325 122.820 -0.443 0.000 2.235 231 A HA -0.054 4.110 4.320 -0.259 0.000 0.208 231 A C 0.193 177.647 177.584 -0.217 0.000 1.172 231 A CA 0.430 52.300 52.037 -0.279 0.000 0.786 231 A CB 0.414 19.280 19.000 -0.222 0.000 0.804 231 A HN -0.644 7.183 8.150 -0.482 0.034 0.479 232 G N -2.035 106.621 108.800 -0.240 0.000 2.136 232 G HA2 -0.339 3.531 3.960 -0.149 0.000 0.242 232 G HA3 -0.339 3.506 3.960 -0.191 0.000 0.242 232 G C 0.064 174.891 174.900 -0.122 0.000 0.989 232 G CA 0.413 45.409 45.100 -0.174 0.000 0.682 232 G HN -0.373 7.548 8.290 -0.307 0.184 0.522 233 K N -1.795 118.535 120.400 -0.117 0.000 2.387 233 K HA 0.122 4.410 4.320 -0.054 0.000 0.203 233 K C -0.724 175.863 176.600 -0.021 0.000 1.030 233 K CA -1.219 55.030 56.287 -0.065 0.000 1.099 233 K CB 0.807 33.268 32.500 -0.066 0.000 0.863 233 K HN -0.320 7.839 8.250 -0.152 0.000 0.529 234 S N -0.467 115.226 115.700 -0.012 0.000 2.572 234 S HA -0.124 4.418 4.470 0.120 0.000 0.279 234 S C 1.559 176.201 174.600 0.070 0.000 1.341 234 S CA -0.397 57.856 58.200 0.087 0.000 1.043 234 S CB 0.932 64.233 63.200 0.168 0.000 0.887 234 S HN -0.353 7.919 8.310 -0.063 0.000 0.516 235 S N 4.821 120.575 115.700 0.091 0.000 2.447 235 S HA -0.074 4.423 4.470 0.044 0.000 0.233 235 S C -0.193 174.454 174.600 0.080 0.000 1.006 235 S CA 1.694 59.934 58.200 0.067 0.000 0.957 235 S CB 0.074 63.309 63.200 0.058 0.000 0.773 235 S HN 0.250 8.624 8.310 0.108 0.000 0.507 236 D N 0.877 121.356 120.400 0.132 0.000 2.312 236 D HA 0.138 4.834 4.640 0.092 0.000 0.229 236 D C -0.833 175.601 176.300 0.223 0.000 1.337 236 D CA -0.190 53.891 54.000 0.136 0.000 0.964 236 D CB 1.283 42.155 40.800 0.121 0.000 1.456 236 D HN -0.668 7.779 8.370 0.179 0.031 0.547 237 S N 1.988 117.760 115.700 0.121 0.000 2.607 237 S HA -0.106 4.426 4.470 0.104 0.000 0.224 237 S C 0.774 175.440 174.600 0.111 0.000 0.969 237 S CA 1.051 59.286 58.200 0.060 0.000 0.927 237 S CB 0.287 63.416 63.200 -0.119 0.000 0.772 237 S HN 0.316 8.666 8.310 0.066 0.000 0.533 238 K N -1.848 118.639 120.400 0.145 0.000 3.281 238 K HA -0.324 4.074 4.320 0.130 0.000 0.295 238 K C 0.142 176.805 176.600 0.106 0.000 1.233 238 K CA 0.672 57.050 56.287 0.152 0.000 0.866 238 K CB -2.847 29.799 32.500 0.245 0.000 1.265 238 K HN 0.042 8.562 8.250 0.128 -0.193 0.482 239 G N -3.963 104.874 108.800 0.062 0.000 2.155 239 G HA2 -0.474 3.518 3.960 0.054 0.000 0.257 239 G HA3 -0.474 3.502 3.960 0.027 0.000 0.257 239 G C -0.063 174.865 174.900 0.047 0.000 0.983 239 G CA 0.287 45.414 45.100 0.045 0.000 0.676 239 G HN 0.201 8.485 8.290 0.050 0.035 0.528 240 I N 0.075 120.670 120.570 0.040 0.000 2.710 240 I HA -0.448 3.905 4.170 0.107 -0.118 0.286 240 I C -0.416 175.705 176.117 0.007 0.000 1.181 240 I CA 1.238 62.566 61.300 0.047 0.000 1.430 240 I CB 0.249 38.244 38.000 -0.010 0.000 1.367 240 I HN -0.439 7.739 8.210 0.036 0.053 0.577 241 D N 6.706 127.144 120.400 0.063 0.000 2.336 241 D HA -0.040 4.605 4.640 0.009 0.000 0.249 241 D C -0.823 175.518 176.300 0.069 0.000 1.213 241 D CA -0.221 53.809 54.000 0.051 0.000 0.870 241 D CB 0.238 41.087 40.800 0.080 0.000 1.076 241 D HN 0.183 8.616 8.370 0.107 0.000 0.483 242 L N 4.747 125.918 121.223 -0.087 0.000 2.653 242 L HA 0.103 4.104 4.340 -0.566 0.000 0.231 242 L C 0.236 176.982 176.870 -0.207 0.000 1.153 242 L CA -0.900 53.742 54.840 -0.331 0.000 0.933 242 L CB 0.120 41.934 42.059 -0.408 0.000 1.175 242 L HN 0.047 8.221 8.230 -0.092 0.000 0.473 243 T N 2.995 117.536 114.554 -0.021 0.000 2.902 243 T HA -0.124 4.424 4.350 -0.020 -0.210 0.301 243 T C -0.579 174.183 174.700 0.104 0.000 1.012 243 T CA 2.365 64.476 62.100 0.018 0.000 1.151 243 T CB 0.378 69.265 68.868 0.032 0.000 0.946 243 T HN -0.489 7.974 8.240 0.011 -0.216 0.542 244 N N 3.344 122.093 118.700 0.083 0.000 2.610 244 N HA 0.216 5.164 4.740 0.191 -0.093 0.264 244 N C -1.166 174.419 175.510 0.126 0.000 1.348 244 N CA -0.699 52.447 53.050 0.161 0.000 0.819 244 N CB 3.564 42.175 38.487 0.206 0.000 1.521 244 N HN -0.269 8.136 8.380 0.042 0.000 0.497 245 V N -6.761 113.249 119.914 0.161 0.000 3.432 245 V HA 0.590 4.680 4.120 -0.051 0.000 0.298 245 V C -0.551 175.732 176.094 0.315 0.000 1.464 245 V CA -0.378 61.990 62.300 0.113 0.000 1.046 245 V CB 1.121 32.969 31.823 0.041 0.000 0.887 245 V HN 0.226 9.012 8.190 0.189 -0.482 0.441 246 T N -3.463 111.293 114.554 0.338 0.000 3.058 246 T HA 0.217 4.737 4.350 0.282 0.000 0.278 246 T C 0.023 174.826 174.700 0.172 0.000 0.974 246 T CA 0.095 62.355 62.100 0.267 0.000 0.893 246 T CB 1.041 70.026 68.868 0.194 0.000 1.138 246 T HN -0.534 8.077 8.240 0.313 -0.184 0.529 247 L N 2.113 123.438 121.223 0.170 0.000 2.506 247 L HA 0.673 5.004 4.340 -0.015 0.000 0.247 247 L C -1.679 175.023 176.870 -0.280 0.000 1.141 247 L CA -2.624 52.219 54.840 0.005 0.000 0.973 247 L CB 0.063 42.176 42.059 0.091 0.000 1.319 247 L HN -0.529 8.127 8.230 0.335 -0.224 0.455 248 P HA -0.022 3.035 4.420 -2.272 0.000 0.230 248 P C -0.660 176.357 177.300 -0.472 0.000 1.158 248 P CA 1.122 63.543 63.100 -1.132 0.000 0.769 248 P CB 0.146 31.322 31.700 -0.873 0.000 0.807 249 D N -3.149 117.098 120.400 -0.256 0.000 2.339 249 D HA 0.107 4.661 4.640 -0.142 0.000 0.217 249 D C 0.495 176.725 176.300 -0.117 0.000 1.050 249 D CA 0.133 54.043 54.000 -0.150 0.000 0.856 249 D CB 0.017 40.751 40.800 -0.111 0.000 0.922 249 D HN -0.100 8.084 8.370 -0.233 0.046 0.518 250 T N -0.734 113.754 114.554 -0.110 0.000 2.922 250 T HA 0.405 4.682 4.350 -0.122 0.000 0.285 250 T C -0.365 174.307 174.700 -0.046 0.000 1.005 250 T CA -2.702 59.339 62.100 -0.098 0.000 1.061 250 T CB 0.992 69.785 68.868 -0.125 0.000 1.007 250 T HN -0.628 7.474 8.240 -0.128 0.061 0.502 251 P HA 0.030 4.435 4.420 -0.026 0.000 0.223 251 P C -0.088 177.197 177.300 -0.024 0.000 1.151 251 P CA 1.722 64.795 63.100 -0.046 0.000 0.787 251 P CB -0.003 31.652 31.700 -0.074 0.000 0.788 252 T N -5.599 108.931 114.554 -0.039 0.000 3.176 252 T HA 0.080 4.411 4.350 -0.031 0.000 0.263 252 T C -1.204 173.510 174.700 0.024 0.000 1.021 252 T CA -1.333 60.746 62.100 -0.036 0.000 0.905 252 T CB -0.243 68.563 68.868 -0.103 0.000 1.057 252 T HN -0.259 7.890 8.240 -0.066 0.051 0.558 253 Y N 5.112 125.376 120.300 -0.060 0.000 2.717 253 Y HA -0.165 4.668 4.550 -0.018 -0.294 0.330 253 Y C -0.472 175.418 175.900 -0.016 0.000 1.217 253 Y CA 1.352 59.435 58.100 -0.028 0.000 1.506 253 Y CB 0.005 38.451 38.460 -0.024 0.000 1.268 253 Y HN -0.725 7.593 8.280 0.169 0.064 0.561 254 S N 7.828 123.197 115.700 -0.552 0.000 2.706 254 S HA 0.164 4.365 4.470 -0.448 0.000 0.270 254 S C -0.185 174.110 174.600 -0.509 0.000 1.163 254 S CA -0.305 57.615 58.200 -0.467 0.000 1.042 254 S CB 1.492 64.575 63.200 -0.196 0.000 1.079 254 S HN 0.659 8.656 8.310 -0.522 0.000 0.474 255 K N 7.851 127.928 120.400 -0.538 0.000 2.097 255 K HA -0.201 3.919 4.320 -0.334 0.000 0.206 255 K C 1.152 177.651 176.600 -0.168 0.000 1.049 255 K CA 2.511 58.607 56.287 -0.319 0.000 0.933 255 K CB -0.427 31.957 32.500 -0.193 0.000 0.717 255 K HN 0.609 8.532 8.250 -0.544 0.000 0.442 256 A N -1.803 120.930 122.820 -0.145 0.000 2.070 256 A HA -0.267 4.008 4.320 -0.075 0.000 0.220 256 A C 1.218 178.755 177.584 -0.077 0.000 1.159 256 A CA 2.065 54.047 52.037 -0.091 0.000 0.656 256 A CB -0.766 18.189 19.000 -0.076 0.000 0.800 256 A HN 0.134 8.166 8.150 -0.168 0.017 0.453 257 A N -2.656 120.113 122.820 -0.085 0.000 1.972 257 A HA -0.268 4.024 4.320 -0.048 0.000 0.219 257 A C 1.708 179.260 177.584 -0.053 0.000 1.169 257 A CA 2.669 54.673 52.037 -0.055 0.000 0.635 257 A CB -0.871 18.107 19.000 -0.036 0.000 0.810 257 A HN -0.560 7.476 8.150 -0.113 0.046 0.446 258 S N -2.221 113.447 115.700 -0.054 0.000 2.356 258 S HA -0.250 4.188 4.470 -0.053 0.000 0.223 258 S C 2.087 176.643 174.600 -0.074 0.000 1.032 258 S CA 3.439 61.608 58.200 -0.052 0.000 1.005 258 S CB -0.364 62.820 63.200 -0.026 0.000 0.867 258 S HN -0.569 7.682 8.310 -0.060 0.023 0.449 259 D N 0.613 120.975 120.400 -0.062 0.000 2.312 259 D HA -0.168 4.435 4.640 -0.062 0.000 0.211 259 D C 0.782 177.041 176.300 -0.069 0.000 0.964 259 D CA 1.877 55.841 54.000 -0.061 0.000 0.877 259 D CB -0.556 40.216 40.800 -0.046 0.000 0.924 259 D HN -0.383 7.952 8.370 -0.057 0.000 0.515 260 A N -1.971 120.806 122.820 -0.071 0.000 2.167 260 A HA -0.050 4.236 4.320 -0.056 0.000 0.214 260 A C 0.413 177.939 177.584 -0.097 0.000 1.151 260 A CA 0.322 52.319 52.037 -0.067 0.000 0.735 260 A CB 0.394 19.365 19.000 -0.048 0.000 0.802 260 A HN -0.751 7.323 8.150 -0.068 0.035 0.467 261 I N 0.881 121.354 120.570 -0.161 0.000 2.556 261 I HA 0.119 4.128 4.170 -0.269 0.000 0.284 261 I C -1.899 174.095 176.117 -0.206 0.000 1.114 261 I CA -3.658 57.471 61.300 -0.284 0.000 1.418 261 I CB -1.052 36.625 38.000 -0.538 0.000 1.394 261 I HN -0.735 7.335 8.210 -0.154 0.048 0.552 262 P HA 0.228 4.607 4.420 -0.070 0.000 0.271 262 P C -1.932 175.310 177.300 -0.096 0.000 1.233 262 P CA -1.119 61.927 63.100 -0.091 0.000 0.789 262 P CB -0.451 31.223 31.700 -0.042 0.000 0.951 263 P HA -0.049 4.342 4.420 -0.049 0.000 0.274 263 P C -0.752 176.538 177.300 -0.016 0.000 1.246 263 P CA -0.798 62.280 63.100 -0.037 0.000 0.795 263 P CB 0.420 32.108 31.700 -0.021 0.000 1.006 264 A N -0.085 122.734 122.820 -0.002 0.000 2.561 264 A HA -0.211 4.239 4.320 0.031 -0.111 0.234 264 A C -0.101 177.498 177.584 0.024 0.000 1.055 264 A CA 0.869 52.918 52.037 0.021 0.000 0.756 264 A CB 0.204 19.218 19.000 0.025 0.000 0.986 264 A HN 0.251 8.397 8.150 -0.006 0.000 0.505 265 S N 1.045 116.768 115.700 0.038 0.000 2.407 265 S HA 0.043 4.534 4.470 0.034 0.000 0.166 265 S C -1.148 173.485 174.600 0.056 0.000 1.445 265 S CA -0.681 57.544 58.200 0.041 0.000 1.260 265 S CB 0.740 63.964 63.200 0.040 0.000 1.401 265 S HN 0.368 8.705 8.310 0.045 0.000 0.379 266 L N 3.019 124.275 121.223 0.056 0.000 2.410 266 L HA 0.032 4.427 4.340 0.092 0.000 0.273 266 L C -0.982 175.928 176.870 0.068 0.000 1.144 266 L CA 0.142 55.026 54.840 0.072 0.000 0.863 266 L CB 0.556 42.653 42.059 0.063 0.000 1.140 266 L HN 0.075 8.333 8.230 0.046 0.000 0.463 267 K N 6.590 127.040 120.400 0.084 0.000 2.295 267 K HA 0.204 4.556 4.320 0.055 0.000 0.239 267 K C -0.901 175.739 176.600 0.067 0.000 0.991 267 K CA -1.836 54.491 56.287 0.068 0.000 0.845 267 K CB 2.280 34.822 32.500 0.069 0.000 1.197 267 K HN -0.199 8.115 8.250 0.107 0.000 0.441 268 A N 1.907 124.756 122.820 0.050 0.000 2.520 268 A HA -0.126 4.219 4.320 0.041 0.000 0.235 268 A C -0.685 176.923 177.584 0.040 0.000 1.065 268 A CA 0.502 52.564 52.037 0.041 0.000 0.764 268 A CB -0.010 19.009 19.000 0.032 0.000 1.002 268 A HN 0.164 8.341 8.150 0.044 0.000 0.502 269 D N 1.055 121.473 120.400 0.030 0.000 2.525 269 D HA -0.310 4.330 4.640 0.001 0.000 0.235 269 D C -0.310 176.001 176.300 0.018 0.000 1.137 269 D CA 0.942 54.950 54.000 0.013 0.000 0.868 269 D CB 0.156 40.961 40.800 0.007 0.000 1.180 269 D HN -0.050 8.338 8.370 0.030 0.000 0.465 270 A N 4.858 127.689 122.820 0.018 0.000 2.351 270 A HA 0.196 4.533 4.320 0.028 0.000 0.257 270 A C -1.695 175.906 177.584 0.028 0.000 1.087 270 A CA -1.613 50.441 52.037 0.028 0.000 0.798 270 A CB 0.143 19.167 19.000 0.040 0.000 1.033 270 A HN -0.087 8.067 8.150 0.007 0.000 0.488 271 P HA 0.062 4.483 4.420 0.002 0.000 0.269 271 P C -1.714 175.586 177.300 -0.001 0.000 1.215 271 P CA -0.219 62.885 63.100 0.006 0.000 0.780 271 P CB 0.608 32.308 31.700 0.000 0.000 0.898 272 I N 0.720 121.260 120.570 -0.049 0.000 2.404 272 I HA 0.126 4.202 4.170 -0.156 0.000 0.293 272 I C -0.360 175.650 176.117 -0.178 0.000 0.992 272 I CA -0.999 60.202 61.300 -0.165 0.000 1.149 272 I CB 1.640 39.488 38.000 -0.253 0.000 1.315 272 I HN -0.249 7.934 8.210 -0.046 0.000 0.446 273 D N 6.778 127.051 120.400 -0.212 0.000 2.525 273 D HA -0.146 4.442 4.640 -0.087 0.000 0.235 273 D C 1.120 177.336 176.300 -0.140 0.000 1.137 273 D CA 0.561 54.478 54.000 -0.138 0.000 0.868 273 D CB 1.786 42.519 40.800 -0.112 0.000 1.180 273 D HN 0.088 8.304 8.370 -0.257 0.000 0.465 274 K N 6.718 127.069 120.400 -0.081 0.000 2.360 274 K HA -0.236 4.041 4.320 -0.072 0.000 0.201 274 K C 1.821 178.388 176.600 -0.054 0.000 1.046 274 K CA 2.094 58.342 56.287 -0.065 0.000 0.945 274 K CB -0.215 32.259 32.500 -0.043 0.000 0.750 274 K HN 0.460 8.671 8.250 -0.064 0.000 0.464 275 S N 0.157 115.829 115.700 -0.047 0.000 2.419 275 S HA -0.249 4.218 4.470 -0.004 0.000 0.235 275 S C 1.706 176.311 174.600 0.008 0.000 1.019 275 S CA 3.030 61.224 58.200 -0.010 0.000 0.982 275 S CB -0.373 62.835 63.200 0.014 0.000 0.789 275 S HN -0.158 8.385 8.310 -0.053 -0.265 0.490 276 I N 0.873 121.408 120.570 -0.058 0.000 2.756 276 I HA -0.263 3.934 4.170 0.044 0.000 0.262 276 I C 0.606 176.738 176.117 0.024 0.000 1.225 276 I CA 0.200 61.477 61.300 -0.038 0.000 1.472 276 I CB -1.691 36.166 38.000 -0.239 0.000 1.094 276 I HN -0.541 7.564 8.210 -0.117 0.035 0.454 277 D N -1.623 118.771 120.400 -0.011 0.000 2.182 277 D HA -0.182 4.441 4.640 -0.029 0.000 0.201 277 D C 0.687 176.987 176.300 -0.001 0.000 0.986 277 D CA 1.868 55.855 54.000 -0.023 0.000 0.847 277 D CB 0.124 40.894 40.800 -0.051 0.000 0.942 277 D HN -0.637 7.565 8.370 -0.035 0.147 0.467 278 K N 0.492 120.915 120.400 0.039 0.000 2.524 278 K HA -0.184 4.138 4.320 0.002 0.000 0.279 278 K C -1.008 175.678 176.600 0.144 0.000 0.993 278 K CA 0.468 56.764 56.287 0.014 0.000 1.030 278 K CB 0.733 33.154 32.500 -0.132 0.000 0.891 278 K HN -0.645 7.588 8.250 0.045 0.044 0.488 279 W N 5.221 126.497 121.300 -0.040 0.000 2.308 279 W HA 0.026 4.861 4.660 0.082 -0.126 0.311 279 W C -0.730 175.758 176.519 -0.051 0.000 1.088 279 W CA -2.772 54.583 57.345 0.017 0.000 1.309 279 W CB -0.047 29.445 29.460 0.052 0.000 1.229 279 W HN -0.041 8.281 8.180 0.237 0.000 0.427 280 F N 6.267 126.348 119.950 0.218 0.000 2.396 280 F HA 0.080 4.729 4.527 0.203 0.000 0.343 280 F C -0.638 175.081 175.800 -0.135 0.000 1.104 280 F CA -0.478 57.587 58.000 0.107 0.000 1.161 280 F CB 1.424 40.464 39.000 0.067 0.000 1.146 280 F HN 0.637 9.342 8.300 0.675 0.000 0.522 281 F N 3.648 123.635 119.950 0.061 0.000 2.318 281 F HA 0.175 4.675 4.527 -0.044 0.000 0.356 281 F C -0.778 175.034 175.800 0.019 0.000 1.109 281 F CA -0.729 57.242 58.000 -0.047 0.000 1.234 281 F CB -0.380 38.494 39.000 -0.210 0.000 1.545 281 F HN 0.314 8.870 8.300 0.427 0.000 0.534 282 I N 0.075 120.727 120.570 0.137 0.000 3.042 282 I HA 0.555 4.787 4.170 0.104 0.000 0.310 282 I C -1.458 174.692 176.117 0.056 0.000 1.117 282 I CA -2.200 59.159 61.300 0.098 0.000 1.003 282 I CB 3.027 41.080 38.000 0.088 0.000 1.228 282 I HN -0.310 7.949 8.210 0.082 0.000 0.443 283 S N 0.304 116.028 115.700 0.040 0.000 2.611 283 S HA 0.179 4.667 4.470 0.030 0.000 0.268 283 S C -0.511 174.102 174.600 0.022 0.000 1.156 283 S CA -0.463 57.757 58.200 0.034 0.000 0.817 283 S CB 1.544 64.773 63.200 0.048 0.000 1.122 283 S HN -0.042 8.291 8.310 0.038 0.000 0.466 284 G N 0.000 108.815 108.800 0.025 0.000 5.446 284 G HA2 0.000 nan 3.960 nan 0.000 0.244 284 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 284 G CA 0.000 45.112 45.100 0.020 0.000 0.502 284 G HN 0.000 8.311 8.290 0.034 0.000 0.925