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 1xva_1_A DATA FIRST_RESID 1 DATA SEQUENCE VDSVYRTRSL GVAAEGIPDQ YADGEAARVW QLYIGDTRSR TAEYKAWLLG DATA SEQUENCE LLRQHGCHRV LDVACGTGVD SIMLVEEGFS VTSVDASDKM LKYALKERWN DATA SEQUENCE RRKEPAFDKW VIEEANWLTL DKDVPAGDGF DAVICLGNSF AHLPDSKGDQ DATA SEQUENCE SEHRLALKNI ASMVRPGGLL VIDHRNYDYI LSTGCAPPGK NIYYKSDLTK DATA SEQUENCE DITTSVLTVN NKAHMVTLDY TVQVPGAGRD GAPGFSKFRL SYYPHCLASF DATA SEQUENCE TELVQEAFGG RCQHSVLGDF KPYRPGQAYV PCYFIHVLKK TG 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 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 1 V C 0.000 176.102 176.094 0.014 0.000 1.182 1 V CA 0.000 62.306 62.300 0.009 0.000 1.235 1 V CB 0.000 31.829 31.823 0.011 0.000 1.184 2 D N 0.978 121.384 120.400 0.010 0.000 2.671 2 D HA 0.879 5.519 4.640 -0.001 0.000 0.232 2 D C -0.876 175.427 176.300 0.004 0.000 1.114 2 D CA -0.176 53.832 54.000 0.014 0.000 0.858 2 D CB 2.288 43.094 40.800 0.009 0.000 1.544 2 D HN 0.623 8.993 8.370 -0.000 0.000 0.471 3 S N -0.298 115.409 115.700 0.012 0.000 2.588 3 S HA 0.717 5.187 4.470 -0.001 0.000 0.275 3 S C -1.330 173.247 174.600 -0.038 0.000 1.130 3 S CA -0.855 57.323 58.200 -0.037 0.000 0.855 3 S CB 1.849 65.036 63.200 -0.021 0.000 1.116 3 S HN 0.357 8.667 8.310 -0.000 0.000 0.472 4 V N 0.485 120.310 119.914 -0.149 0.000 2.419 4 V HA 0.559 4.678 4.120 -0.001 0.000 0.287 4 V C -1.677 174.277 176.094 -0.234 0.000 1.017 4 V CA -0.765 61.474 62.300 -0.101 0.000 0.844 4 V CB -0.016 31.781 31.823 -0.044 0.000 1.011 4 V HN 0.817 9.007 8.190 -0.000 0.000 0.429 5 Y N 3.541 123.841 120.300 0.001 0.000 2.304 5 Y HA 0.675 5.224 4.550 -0.001 0.000 0.328 5 Y C 1.029 176.929 175.900 -0.001 0.000 1.123 5 Y CA -0.160 57.939 58.100 -0.001 0.000 1.218 5 Y CB 1.248 39.707 38.460 -0.003 0.000 1.207 5 Y HN 0.597 8.877 8.280 -0.000 0.000 0.495 6 R N 0.996 121.544 120.500 0.080 0.000 2.778 6 R HA 0.346 4.686 4.340 -0.001 0.000 0.277 6 R C 0.801 177.140 176.300 0.064 0.000 0.977 6 R CA -0.735 55.399 56.100 0.057 0.000 0.950 6 R CB 1.298 31.608 30.300 0.017 0.000 1.165 6 R HN 0.612 8.882 8.270 -0.000 0.000 0.474 7 T N 1.482 116.058 114.554 0.038 0.000 2.635 7 T HA -0.206 4.144 4.350 -0.001 0.000 0.267 7 T C 0.569 175.276 174.700 0.013 0.000 1.040 7 T CA 1.680 63.793 62.100 0.021 0.000 1.156 7 T CB -0.125 68.741 68.868 -0.003 0.000 0.863 7 T HN 0.591 8.831 8.240 -0.000 0.000 0.430 8 R N -0.345 120.153 120.500 -0.003 0.000 2.739 8 R HA 0.625 4.965 4.340 -0.001 0.000 0.271 8 R C -1.187 175.104 176.300 -0.015 0.000 1.010 8 R CA -0.754 55.340 56.100 -0.011 0.000 0.897 8 R CB 1.212 31.497 30.300 -0.025 0.000 1.236 8 R HN -0.107 8.163 8.270 -0.000 0.000 0.466 9 S N 1.341 117.033 115.700 -0.014 0.000 2.568 9 S HA 0.090 4.559 4.470 -0.001 0.000 0.282 9 S C 0.136 174.726 174.600 -0.016 0.000 1.338 9 S CA -0.560 57.632 58.200 -0.013 0.000 1.045 9 S CB 0.288 63.480 63.200 -0.013 0.000 0.873 9 S HN 0.328 8.638 8.310 -0.000 0.000 0.516 10 L N 3.027 124.248 121.223 -0.003 0.000 2.597 10 L HA 0.320 4.659 4.340 -0.001 0.000 0.271 10 L C 1.426 178.299 176.870 0.005 0.000 1.157 10 L CA 1.423 56.271 54.840 0.014 0.000 0.928 10 L CB -0.626 41.454 42.059 0.036 0.000 1.216 10 L HN 1.039 9.269 8.230 -0.000 0.000 0.481 11 G N 2.570 111.369 108.800 -0.002 0.000 2.201 11 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.212 11 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.212 11 G C 0.056 174.943 174.900 -0.022 0.000 0.994 11 G CA -0.024 45.071 45.100 -0.009 0.000 0.644 11 G HN 0.873 9.163 8.290 -0.000 0.000 0.508 12 V N -1.048 118.849 119.914 -0.029 0.000 2.834 12 V HA 0.998 5.117 4.120 -0.001 0.000 0.313 12 V C 0.336 176.406 176.094 -0.040 0.000 1.060 12 V CA 0.129 62.410 62.300 -0.031 0.000 0.989 12 V CB 1.694 33.502 31.823 -0.026 0.000 1.041 12 V HN 1.834 10.024 8.190 -0.000 0.000 0.459 13 A N 2.497 125.294 122.820 -0.037 0.000 2.387 13 A HA 1.097 5.416 4.320 -0.001 0.000 0.298 13 A C -0.129 177.433 177.584 -0.037 0.000 1.165 13 A CA -0.435 51.577 52.037 -0.042 0.000 0.814 13 A CB 1.713 20.688 19.000 -0.042 0.000 1.357 13 A HN 2.556 10.706 8.150 -0.000 0.000 0.443 14 A N -0.733 122.064 122.820 -0.038 0.000 2.604 14 A HA 0.608 4.927 4.320 -0.001 0.000 0.295 14 A C 0.013 177.577 177.584 -0.033 0.000 1.067 14 A CA -0.173 51.844 52.037 -0.033 0.000 0.683 14 A CB 0.406 19.387 19.000 -0.031 0.000 1.281 14 A HN 0.767 8.917 8.150 -0.000 0.000 0.407 15 E N 0.997 121.179 120.200 -0.030 0.000 2.085 15 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 15 E C 1.945 178.528 176.600 -0.028 0.000 0.994 15 E CA 1.928 58.311 56.400 -0.029 0.000 0.801 15 E CB -0.083 29.602 29.700 -0.026 0.000 0.743 15 E HN 0.884 9.244 8.360 -0.000 0.000 0.453 16 G N 1.476 110.260 108.800 -0.026 0.000 2.475 16 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.220 16 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.220 16 G C 0.862 175.746 174.900 -0.026 0.000 1.125 16 G CA 1.233 46.319 45.100 -0.024 0.000 0.755 16 G HN 0.369 8.659 8.290 -0.000 0.000 0.565 17 I N -2.972 117.579 120.570 -0.030 0.000 2.828 17 I HA 0.604 4.773 4.170 -0.001 0.000 0.302 17 I C -2.936 173.158 176.117 -0.038 0.000 1.101 17 I CA -2.903 58.377 61.300 -0.033 0.000 1.031 17 I CB 2.066 40.044 38.000 -0.035 0.000 1.231 17 I HN -0.274 7.936 8.210 -0.000 0.000 0.427 18 P HA 0.162 4.582 4.420 -0.000 0.000 0.269 18 P C -0.983 176.283 177.300 -0.058 0.000 1.209 18 P CA -0.004 63.073 63.100 -0.039 0.000 0.776 18 P CB 0.405 32.087 31.700 -0.030 0.000 0.876 19 D N 1.389 121.756 120.400 -0.056 0.000 2.378 19 D HA -0.036 4.603 4.640 -0.001 0.000 0.238 19 D C 1.420 177.648 176.300 -0.120 0.000 1.180 19 D CA 0.255 54.211 54.000 -0.074 0.000 0.895 19 D CB 0.535 41.304 40.800 -0.052 0.000 1.192 19 D HN 0.429 8.799 8.370 -0.000 0.000 0.438 20 Q N 0.350 120.042 119.800 -0.179 0.000 1.998 20 Q HA -0.230 4.110 4.340 -0.001 0.000 0.209 20 Q C 0.699 176.411 176.000 -0.479 0.000 1.002 20 Q CA 1.755 57.319 55.803 -0.398 0.000 0.858 20 Q CB -0.194 28.214 28.738 -0.551 0.000 0.932 20 Q HN 0.544 8.814 8.270 -0.000 0.000 0.416 21 Y N -1.250 119.030 120.300 -0.033 0.000 2.708 21 Y HA 0.394 4.943 4.550 -0.001 0.000 0.287 21 Y C 1.067 176.954 175.900 -0.022 0.000 1.145 21 Y CA -0.080 58.001 58.100 -0.032 0.000 1.249 21 Y CB 0.141 38.572 38.460 -0.049 0.000 1.152 21 Y HN 0.140 8.420 8.280 -0.000 0.000 0.532 22 A N -0.565 122.283 122.820 0.047 0.000 1.970 22 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 22 A C 1.307 178.933 177.584 0.070 0.000 1.170 22 A CA 1.720 53.790 52.037 0.055 0.000 0.645 22 A CB -0.070 18.944 19.000 0.022 0.000 0.816 22 A HN 0.385 8.535 8.150 -0.000 0.000 0.447 23 D N -1.050 119.383 120.400 0.055 0.000 2.501 23 D HA 0.329 4.968 4.640 -0.001 0.000 0.226 23 D C 0.715 177.057 176.300 0.071 0.000 1.198 23 D CA 0.356 54.392 54.000 0.059 0.000 0.830 23 D CB -0.068 40.755 40.800 0.038 0.000 1.014 23 D HN 0.320 8.690 8.370 -0.000 0.000 0.496 24 G N 0.395 109.250 108.800 0.093 0.000 2.544 24 G HA2 0.033 3.992 3.960 -0.001 0.000 0.242 24 G HA3 0.033 3.992 3.960 -0.001 0.000 0.242 24 G C 0.931 175.887 174.900 0.094 0.000 1.247 24 G CA -0.304 44.856 45.100 0.100 0.000 0.840 24 G HN 0.156 8.446 8.290 -0.000 0.000 0.578 25 E N 1.650 121.904 120.200 0.089 0.000 2.132 25 E HA -0.315 4.034 4.350 -0.001 0.000 0.218 25 E C 2.644 179.312 176.600 0.114 0.000 1.058 25 E CA 2.773 59.231 56.400 0.096 0.000 0.882 25 E CB -0.481 29.274 29.700 0.092 0.000 0.774 25 E HN 0.557 8.917 8.360 -0.000 0.000 0.467 26 A N 0.261 123.151 122.820 0.116 0.000 1.933 26 A HA -0.045 4.274 4.320 -0.001 0.000 0.218 26 A C 2.403 180.051 177.584 0.107 0.000 1.175 26 A CA 2.289 54.407 52.037 0.135 0.000 0.628 26 A CB -0.961 18.106 19.000 0.111 0.000 0.814 26 A HN 0.438 8.588 8.150 -0.000 0.000 0.444 27 A N -0.654 122.225 122.820 0.097 0.000 2.121 27 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 27 A C 2.163 179.876 177.584 0.214 0.000 1.154 27 A CA 1.349 53.482 52.037 0.160 0.000 0.679 27 A CB -0.315 18.763 19.000 0.131 0.000 0.795 27 A HN 0.563 8.713 8.150 -0.000 0.000 0.458 28 R N -0.561 120.021 120.500 0.137 0.000 2.080 28 R HA -0.032 4.308 4.340 -0.001 0.000 0.222 28 R C 2.034 178.375 176.300 0.069 0.000 1.107 28 R CA 1.353 57.513 56.100 0.101 0.000 0.980 28 R CB -0.443 29.906 30.300 0.082 0.000 0.879 28 R HN 0.474 8.744 8.270 -0.000 0.000 0.439 29 V N -1.817 118.148 119.914 0.085 0.000 2.427 29 V HA -0.158 3.962 4.120 -0.001 0.000 0.248 29 V C 1.917 177.988 176.094 -0.040 0.000 1.051 29 V CA 1.250 63.596 62.300 0.077 0.000 1.048 29 V CB -0.931 31.008 31.823 0.192 0.000 0.666 29 V HN 0.432 8.622 8.190 -0.000 0.000 0.456 30 W N 1.500 122.569 121.300 -0.385 0.000 2.338 30 W HA -0.176 4.483 4.660 -0.001 0.000 0.304 30 W C 2.417 178.758 176.519 -0.297 0.000 1.212 30 W CA 2.156 59.073 57.345 -0.714 0.000 1.264 30 W CB -0.273 28.737 29.460 -0.750 0.000 1.142 30 W HN 0.247 8.427 8.180 -0.000 0.000 0.512 31 Q N -0.220 119.406 119.800 -0.289 0.000 2.167 31 Q HA -0.204 4.136 4.340 -0.001 0.000 0.202 31 Q C 2.177 177.950 176.000 -0.378 0.000 0.970 31 Q CA 1.600 57.133 55.803 -0.450 0.000 0.855 31 Q CB -0.528 28.140 28.738 -0.116 0.000 0.911 31 Q HN 0.260 8.530 8.270 -0.000 0.000 0.438 32 L N -0.548 120.555 121.223 -0.200 0.000 2.012 32 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 32 L C 2.170 178.938 176.870 -0.169 0.000 1.073 32 L CA 1.801 56.559 54.840 -0.136 0.000 0.748 32 L CB -0.813 41.227 42.059 -0.031 0.000 0.891 32 L HN 0.257 8.487 8.230 -0.000 0.000 0.431 33 Y N 0.566 120.692 120.300 -0.290 0.000 2.128 33 Y HA -0.252 4.298 4.550 -0.001 0.000 0.284 33 Y C 2.431 178.111 175.900 -0.365 0.000 1.154 33 Y CA 2.165 60.113 58.100 -0.254 0.000 1.149 33 Y CB -0.297 38.031 38.460 -0.220 0.000 0.976 33 Y HN 0.325 8.605 8.280 -0.000 0.000 0.505 34 I N -2.219 117.952 120.570 -0.665 0.000 2.546 34 I HA 0.048 4.217 4.170 -0.001 0.000 0.255 34 I C 2.207 177.980 176.117 -0.574 0.000 1.163 34 I CA 1.537 62.418 61.300 -0.699 0.000 1.457 34 I CB -1.030 36.474 38.000 -0.827 0.000 1.092 34 I HN 0.209 8.419 8.210 -0.000 0.000 0.434 35 G N 0.798 109.303 108.800 -0.491 0.000 2.404 35 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.213 35 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.213 35 G C 0.915 175.660 174.900 -0.258 0.000 1.189 35 G CA 0.635 45.520 45.100 -0.359 0.000 0.796 35 G HN 0.337 8.627 8.290 -0.000 0.000 0.532 36 D N 0.675 120.940 120.400 -0.225 0.000 2.690 36 D HA 0.150 4.790 4.640 -0.001 0.000 0.236 36 D C 0.700 176.905 176.300 -0.160 0.000 1.218 36 D CA 0.219 54.133 54.000 -0.144 0.000 0.829 36 D CB -0.314 40.435 40.800 -0.086 0.000 1.009 36 D HN 0.312 8.682 8.370 -0.000 0.000 0.482 37 T N -2.548 111.856 114.554 -0.251 0.000 4.003 37 T HA 0.207 4.557 4.350 -0.001 0.000 0.239 37 T C 0.282 174.808 174.700 -0.290 0.000 0.992 37 T CA -0.884 61.076 62.100 -0.233 0.000 1.317 37 T CB -0.372 68.271 68.868 -0.375 0.000 0.940 37 T HN 0.211 8.451 8.240 -0.000 0.000 0.593 38 R N -0.293 120.078 120.500 -0.215 0.000 2.635 38 R HA 0.453 4.792 4.340 -0.001 0.000 0.393 38 R C -1.113 175.197 176.300 0.017 0.000 1.070 38 R CA -0.653 55.258 56.100 -0.315 0.000 1.118 38 R CB 0.135 30.219 30.300 -0.360 0.000 1.341 38 R HN 0.181 8.451 8.270 -0.000 0.000 0.628 39 S N 2.337 118.174 115.700 0.228 0.000 2.577 39 S HA 0.297 4.767 4.470 -0.001 0.000 0.294 39 S C -0.153 174.656 174.600 0.349 0.000 1.161 39 S CA -0.972 57.373 58.200 0.242 0.000 1.143 39 S CB 0.751 64.020 63.200 0.115 0.000 0.991 39 S HN 0.481 8.791 8.310 -0.000 0.000 0.475 40 R N 0.908 121.620 120.500 0.352 0.000 2.694 40 R HA 0.321 4.660 4.340 -0.001 0.000 0.268 40 R C -0.320 175.982 176.300 0.004 0.000 1.061 40 R CA -0.323 55.786 56.100 0.015 0.000 1.133 40 R CB 0.010 30.343 30.300 0.055 0.000 1.020 40 R HN 0.251 8.521 8.270 -0.000 0.000 0.475 41 T N 1.069 115.595 114.554 -0.047 0.000 2.817 41 T HA 0.272 4.621 4.350 -0.001 0.000 0.293 41 T C 1.419 176.127 174.700 0.014 0.000 0.964 41 T CA 0.267 62.370 62.100 0.005 0.000 1.085 41 T CB 1.353 70.224 68.868 0.004 0.000 0.921 41 T HN 0.685 8.925 8.240 -0.000 0.000 0.502 42 A N 4.221 127.041 122.820 -0.001 0.000 1.927 42 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 42 A C 2.046 179.605 177.584 -0.042 0.000 1.185 42 A CA 2.116 54.140 52.037 -0.022 0.000 0.639 42 A CB -0.586 18.406 19.000 -0.013 0.000 0.820 42 A HN 0.865 9.015 8.150 -0.000 0.000 0.451 43 E N -1.486 118.699 120.200 -0.025 0.000 2.085 43 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 43 E C 1.839 178.290 176.600 -0.248 0.000 0.994 43 E CA 1.652 58.008 56.400 -0.074 0.000 0.801 43 E CB -0.512 29.211 29.700 0.037 0.000 0.743 43 E HN 0.804 9.164 8.360 -0.000 0.000 0.453 44 Y N 1.486 121.578 120.300 -0.346 0.000 2.184 44 Y HA -0.090 4.460 4.550 -0.001 0.000 0.290 44 Y C 2.081 177.874 175.900 -0.178 0.000 1.129 44 Y CA 1.590 59.459 58.100 -0.386 0.000 1.144 44 Y CB -0.334 38.078 38.460 -0.079 0.000 0.995 44 Y HN -0.110 8.170 8.280 -0.000 0.000 0.513 45 K N 0.168 120.405 120.400 -0.272 0.000 2.020 45 K HA -0.236 4.083 4.320 -0.001 0.000 0.212 45 K C 2.258 178.697 176.600 -0.268 0.000 1.050 45 K CA 1.711 57.800 56.287 -0.329 0.000 0.929 45 K CB -0.511 31.881 32.500 -0.180 0.000 0.714 45 K HN 0.387 8.637 8.250 -0.000 0.000 0.443 46 A N 0.592 123.304 122.820 -0.179 0.000 1.908 46 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 46 A C 1.912 179.383 177.584 -0.188 0.000 1.181 46 A CA 1.654 53.602 52.037 -0.149 0.000 0.627 46 A CB -1.111 17.834 19.000 -0.092 0.000 0.818 46 A HN 0.753 8.903 8.150 -0.000 0.000 0.445 47 W N 0.436 121.556 121.300 -0.300 0.000 2.332 47 W HA -0.175 4.485 4.660 -0.001 0.000 0.321 47 W C 1.711 178.119 176.519 -0.184 0.000 1.219 47 W CA 1.938 59.114 57.345 -0.281 0.000 1.277 47 W CB -0.645 28.468 29.460 -0.578 0.000 1.161 47 W HN 0.278 8.458 8.180 -0.000 0.000 0.476 48 L N 0.381 121.113 121.223 -0.818 0.000 2.056 48 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 48 L C 2.268 178.748 176.870 -0.650 0.000 1.078 48 L CA 1.760 55.993 54.840 -1.012 0.000 0.749 48 L CB -1.363 40.292 42.059 -0.674 0.000 0.901 48 L HN 0.027 8.257 8.230 -0.000 0.000 0.433 49 L N 0.007 120.973 121.223 -0.427 0.000 1.994 49 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 49 L C 2.617 179.372 176.870 -0.191 0.000 1.071 49 L CA 2.042 56.742 54.840 -0.233 0.000 0.745 49 L CB -2.198 39.783 42.059 -0.129 0.000 0.892 49 L HN 0.402 8.632 8.230 -0.000 0.000 0.431 50 G N -0.849 107.816 108.800 -0.225 0.000 2.442 50 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.219 50 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.219 50 G C 1.747 176.550 174.900 -0.162 0.000 1.141 50 G CA 0.950 45.954 45.100 -0.161 0.000 0.763 50 G HN 0.362 8.652 8.290 -0.000 0.000 0.554 51 L N -0.343 120.711 121.223 -0.282 0.000 2.017 51 L HA 0.046 4.385 4.340 -0.001 0.000 0.208 51 L C 2.552 179.412 176.870 -0.016 0.000 1.073 51 L CA 1.362 56.106 54.840 -0.160 0.000 0.745 51 L CB -0.337 41.496 42.059 -0.375 0.000 0.894 51 L HN 0.130 8.360 8.230 -0.000 0.000 0.432 52 L N -0.393 120.747 121.223 -0.138 0.000 2.027 52 L HA -0.105 4.234 4.340 -0.001 0.000 0.206 52 L C 2.738 179.629 176.870 0.035 0.000 1.074 52 L CA 1.660 56.450 54.840 -0.083 0.000 0.745 52 L CB -0.835 41.077 42.059 -0.245 0.000 0.898 52 L HN 0.235 8.465 8.230 -0.000 0.000 0.433 53 R N -1.163 119.362 120.500 0.042 0.000 2.096 53 R HA -0.192 4.147 4.340 -0.001 0.000 0.235 53 R C 2.176 178.470 176.300 -0.010 0.000 1.127 53 R CA 1.242 57.359 56.100 0.029 0.000 0.968 53 R CB -0.343 29.967 30.300 0.016 0.000 0.861 53 R HN 0.481 8.751 8.270 -0.000 0.000 0.440 54 Q N 0.141 119.922 119.800 -0.033 0.000 2.170 54 Q HA -0.168 4.172 4.340 -0.001 0.000 0.203 54 Q C 0.630 176.507 176.000 -0.206 0.000 0.976 54 Q CA 1.536 57.265 55.803 -0.123 0.000 0.858 54 Q CB 0.167 28.807 28.738 -0.163 0.000 0.907 54 Q HN 0.544 8.814 8.270 -0.000 0.000 0.433 55 H N -1.856 117.192 119.070 -0.037 0.000 2.529 55 H HA 0.265 4.820 4.556 -0.001 0.000 0.277 55 H C 0.636 175.950 175.328 -0.024 0.000 1.004 55 H CA 0.528 56.562 56.048 -0.024 0.000 1.167 55 H CB 0.851 30.599 29.762 -0.024 0.000 1.445 55 H HN 0.425 8.705 8.280 -0.000 0.000 0.554 56 G N 0.691 109.518 108.800 0.046 0.000 2.221 56 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.265 56 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.265 56 G C 0.053 174.887 174.900 -0.111 0.000 1.041 56 G CA 0.188 45.287 45.100 -0.002 0.000 0.807 56 G HN 0.440 8.730 8.290 -0.000 0.000 0.502 57 C N -0.175 119.052 119.300 -0.121 0.000 2.644 57 C HA 0.621 5.081 4.460 -0.001 0.000 0.417 57 C C 1.407 176.199 174.990 -0.330 0.000 1.304 57 C CA -0.205 58.746 59.018 -0.113 0.000 2.035 57 C CB 0.369 28.093 27.740 -0.027 0.000 2.673 57 C HN 0.580 8.810 8.230 -0.000 0.000 0.602 58 H N 0.265 119.484 119.070 0.249 0.000 2.627 58 H HA 0.168 4.723 4.556 -0.001 0.000 0.211 58 H C 0.246 175.734 175.328 0.267 0.000 0.873 58 H CA 0.084 56.283 56.048 0.253 0.000 0.969 58 H CB 0.230 30.043 29.762 0.085 0.000 1.328 58 H HN 0.558 8.838 8.280 -0.000 0.000 0.423 59 R N 1.771 122.436 120.500 0.274 0.000 2.265 59 R HA 0.552 4.892 4.340 -0.001 0.000 0.319 59 R C -0.799 175.679 176.300 0.297 0.000 1.006 59 R CA -0.420 55.843 56.100 0.271 0.000 0.880 59 R CB 2.489 32.917 30.300 0.214 0.000 1.077 59 R HN -0.165 8.105 8.270 -0.000 0.000 0.454 60 V N 4.423 124.497 119.914 0.266 0.000 2.656 60 V HA 0.291 4.411 4.120 -0.001 0.000 0.307 60 V C -0.875 175.257 176.094 0.063 0.000 1.051 60 V CA -0.977 61.396 62.300 0.121 0.000 0.893 60 V CB 2.066 33.858 31.823 -0.052 0.000 0.999 60 V HN 0.497 8.687 8.190 -0.000 0.000 0.426 61 L N 4.008 125.126 121.223 -0.176 0.000 2.265 61 L HA 0.599 4.939 4.340 -0.001 0.000 0.289 61 L C -0.347 176.436 176.870 -0.146 0.000 1.033 61 L CA 0.142 54.736 54.840 -0.410 0.000 0.814 61 L CB 1.224 42.690 42.059 -0.989 0.000 1.203 61 L HN 0.672 8.902 8.230 -0.000 0.000 0.423 62 D N 3.633 124.016 120.400 -0.029 0.000 2.313 62 D HA 0.176 4.816 4.640 -0.001 0.000 0.239 62 D C 0.686 177.041 176.300 0.092 0.000 1.142 62 D CA -0.171 53.861 54.000 0.054 0.000 0.847 62 D CB 1.459 42.329 40.800 0.117 0.000 1.082 62 D HN 0.424 8.794 8.370 -0.000 0.000 0.480 63 V N 1.731 121.729 119.914 0.140 0.000 3.542 63 V HA 0.539 4.658 4.120 -0.001 0.000 0.296 63 V C 0.708 177.045 176.094 0.405 0.000 1.364 63 V CA 0.161 62.609 62.300 0.247 0.000 1.118 63 V CB -0.187 31.813 31.823 0.294 0.000 0.972 63 V HN 0.536 8.726 8.190 -0.000 0.000 0.430 64 A N -0.873 122.141 122.820 0.323 0.000 3.370 64 A HA 0.440 4.759 4.320 -0.001 0.000 0.295 64 A C 0.893 178.621 177.584 0.240 0.000 1.030 64 A CA 0.377 52.626 52.037 0.353 0.000 0.883 64 A CB 0.126 19.403 19.000 0.461 0.000 1.191 64 A HN 0.352 8.502 8.150 -0.000 0.000 0.507 65 C N 0.568 119.987 119.300 0.198 0.000 2.413 65 C HA 0.297 4.757 4.460 -0.001 0.000 0.277 65 C C 2.272 177.372 174.990 0.184 0.000 1.228 65 C CA 2.363 61.497 59.018 0.193 0.000 1.731 65 C CB -1.172 26.672 27.740 0.173 0.000 2.042 65 C HN 2.025 10.255 8.230 -0.000 0.000 0.468 66 G N -0.197 108.703 108.800 0.166 0.000 2.574 66 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.286 66 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.286 66 G C 0.916 175.915 174.900 0.166 0.000 1.212 66 G CA 1.712 46.907 45.100 0.158 0.000 0.979 66 G HN 1.264 9.554 8.290 -0.000 0.000 0.557 67 T N -1.065 113.569 114.554 0.133 0.000 3.160 67 T HA 0.403 4.753 4.350 -0.001 0.000 0.257 67 T C 2.371 177.195 174.700 0.207 0.000 1.147 67 T CA 1.649 63.842 62.100 0.155 0.000 1.064 67 T CB -0.003 68.856 68.868 -0.014 0.000 0.949 67 T HN 2.767 11.007 8.240 -0.000 0.000 0.526 68 G N 0.711 109.649 108.800 0.229 0.000 2.176 68 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.232 68 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.232 68 G C 1.010 176.059 174.900 0.250 0.000 0.986 68 G CA 0.427 45.751 45.100 0.373 0.000 0.643 68 G HN 1.105 9.395 8.290 -0.000 0.000 0.522 69 V N -1.496 118.501 119.914 0.138 0.000 2.332 69 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 69 V C 2.185 178.376 176.094 0.162 0.000 1.055 69 V CA 2.653 65.023 62.300 0.117 0.000 1.038 69 V CB -0.508 31.327 31.823 0.021 0.000 0.651 69 V HN 0.291 8.481 8.190 -0.000 0.000 0.450 70 D N 0.683 121.193 120.400 0.184 0.000 2.117 70 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 70 D C 2.462 178.779 176.300 0.029 0.000 0.982 70 D CA 1.887 55.981 54.000 0.156 0.000 0.828 70 D CB -0.158 40.758 40.800 0.193 0.000 0.967 70 D HN 0.541 8.911 8.370 -0.000 0.000 0.464 71 S N 0.411 116.135 115.700 0.041 0.000 2.402 71 S HA -0.033 4.436 4.470 -0.001 0.000 0.229 71 S C 2.185 176.539 174.600 -0.409 0.000 1.021 71 S CA 0.253 58.389 58.200 -0.105 0.000 0.974 71 S CB 0.013 63.311 63.200 0.163 0.000 0.800 71 S HN 0.227 8.537 8.310 -0.000 0.000 0.484 72 I N 1.348 121.732 120.570 -0.311 0.000 2.179 72 I HA -0.226 3.944 4.170 -0.001 0.000 0.242 72 I C 2.491 178.494 176.117 -0.190 0.000 1.088 72 I CA 1.218 62.323 61.300 -0.326 0.000 1.357 72 I CB -0.287 37.710 38.000 -0.005 0.000 1.051 72 I HN 0.322 8.531 8.210 -0.000 0.000 0.409 73 M N 0.609 120.152 119.600 -0.095 0.000 2.082 73 M HA -0.269 4.210 4.480 -0.001 0.000 0.258 73 M C 2.186 178.425 176.300 -0.103 0.000 1.069 73 M CA 2.031 57.285 55.300 -0.077 0.000 1.102 73 M CB -0.070 32.477 32.600 -0.087 0.000 1.336 73 M HN 0.186 8.476 8.290 -0.000 0.000 0.404 74 L N -1.010 120.118 121.223 -0.159 0.000 2.109 74 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 74 L C 2.344 179.175 176.870 -0.065 0.000 1.086 74 L CA 0.526 55.304 54.840 -0.104 0.000 0.760 74 L CB -0.616 41.293 42.059 -0.251 0.000 0.910 74 L HN 0.194 8.424 8.230 -0.000 0.000 0.437 75 V N 0.122 119.833 119.914 -0.337 0.000 2.343 75 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 75 V C 2.359 178.245 176.094 -0.347 0.000 1.051 75 V CA 1.714 63.708 62.300 -0.509 0.000 1.036 75 V CB -0.370 30.759 31.823 -1.157 0.000 0.654 75 V HN 0.460 8.650 8.190 -0.000 0.000 0.451 76 E N -0.323 119.744 120.200 -0.221 0.000 2.110 76 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 76 E C 1.753 178.338 176.600 -0.025 0.000 0.988 76 E CA 0.949 57.322 56.400 -0.045 0.000 0.804 76 E CB -0.066 29.656 29.700 0.036 0.000 0.745 76 E HN 0.514 8.874 8.360 -0.000 0.000 0.458 77 E N -0.391 119.812 120.200 0.005 0.000 2.403 77 E HA 0.040 4.389 4.350 -0.001 0.000 0.187 77 E C 0.779 177.311 176.600 -0.114 0.000 1.073 77 E CA 0.424 56.827 56.400 0.005 0.000 0.888 77 E CB 0.688 30.457 29.700 0.116 0.000 1.035 77 E HN 0.410 8.771 8.360 -0.000 0.000 0.471 78 G N 0.948 109.691 108.800 -0.096 0.000 2.141 78 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.231 78 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.231 78 G C 0.060 174.843 174.900 -0.194 0.000 0.984 78 G CA -0.277 44.728 45.100 -0.159 0.000 0.660 78 G HN 0.202 8.492 8.290 -0.000 0.000 0.525 79 F N 1.218 121.134 119.950 -0.056 0.000 2.410 79 F HA 0.582 5.109 4.527 -0.001 0.000 0.334 79 F C 1.302 177.089 175.800 -0.023 0.000 1.134 79 F CA 0.209 58.198 58.000 -0.019 0.000 1.227 79 F CB 1.406 40.374 39.000 -0.054 0.000 1.194 79 F HN 0.013 8.313 8.300 -0.000 0.000 0.571 80 S N 2.150 117.981 115.700 0.219 0.000 2.405 80 S HA 0.395 4.865 4.470 -0.001 0.000 0.291 80 S C -0.783 173.934 174.600 0.195 0.000 1.137 80 S CA -0.582 57.716 58.200 0.163 0.000 1.061 80 S CB -0.008 63.288 63.200 0.160 0.000 1.001 80 S HN 0.507 8.817 8.310 -0.000 0.000 0.507 81 V N 5.609 125.618 119.914 0.158 0.000 2.495 81 V HA 0.863 4.983 4.120 -0.001 0.000 0.298 81 V C -0.178 176.105 176.094 0.315 0.000 1.031 81 V CA -0.340 62.068 62.300 0.180 0.000 0.871 81 V CB 1.916 33.763 31.823 0.041 0.000 0.988 81 V HN 0.836 9.026 8.190 -0.000 0.000 0.432 82 T N 3.438 118.153 114.554 0.268 0.000 2.792 82 T HA 0.675 5.025 4.350 -0.001 0.000 0.280 82 T C -0.374 174.428 174.700 0.169 0.000 0.990 82 T CA -0.371 61.876 62.100 0.245 0.000 0.960 82 T CB 1.250 70.267 68.868 0.247 0.000 0.939 82 T HN 0.848 9.088 8.240 -0.000 0.000 0.439 83 S N 3.136 118.955 115.700 0.198 0.000 2.498 83 S HA 0.676 5.145 4.470 -0.001 0.000 0.317 83 S C 0.070 174.717 174.600 0.079 0.000 1.090 83 S CA -0.758 57.549 58.200 0.178 0.000 1.089 83 S CB 1.164 64.567 63.200 0.337 0.000 0.997 83 S HN 1.083 9.393 8.310 -0.000 0.000 0.470 84 V N 0.092 120.051 119.914 0.076 0.000 2.919 84 V HA 0.882 5.001 4.120 -0.001 0.000 0.316 84 V C -0.892 175.239 176.094 0.063 0.000 1.077 84 V CA -0.638 61.693 62.300 0.052 0.000 0.977 84 V CB 2.134 33.984 31.823 0.046 0.000 1.039 84 V HN 0.758 8.948 8.190 -0.000 0.000 0.441 85 D N 0.844 121.253 120.400 0.014 0.000 2.648 85 D HA 0.631 5.271 4.640 -0.001 0.000 0.244 85 D C 0.216 176.471 176.300 -0.074 0.000 1.244 85 D CA 0.111 54.097 54.000 -0.023 0.000 0.772 85 D CB 2.515 43.332 40.800 0.028 0.000 1.379 85 D HN 0.835 9.205 8.370 -0.000 0.000 0.428 86 A N 0.822 123.554 122.820 -0.146 0.000 2.195 86 A HA 0.162 4.481 4.320 -0.001 0.000 0.210 86 A C 0.847 178.372 177.584 -0.097 0.000 1.165 86 A CA 0.440 52.388 52.037 -0.149 0.000 0.806 86 A CB 0.150 19.004 19.000 -0.244 0.000 0.847 86 A HN 0.208 8.358 8.150 -0.000 0.000 0.482 87 S N 0.310 115.973 115.700 -0.062 0.000 2.410 87 S HA 0.281 4.751 4.470 -0.001 0.000 0.304 87 S C 0.156 174.757 174.600 0.000 0.000 1.095 87 S CA -0.663 57.521 58.200 -0.027 0.000 1.089 87 S CB 0.365 63.566 63.200 0.002 0.000 0.968 87 S HN 0.316 8.626 8.310 -0.000 0.000 0.480 88 D N 4.313 124.704 120.400 -0.014 0.000 2.104 88 D HA -0.109 4.530 4.640 -0.001 0.000 0.194 88 D C 1.586 177.891 176.300 0.009 0.000 0.994 88 D CA 1.341 55.332 54.000 -0.014 0.000 0.830 88 D CB 0.046 40.827 40.800 -0.031 0.000 0.959 88 D HN 0.620 8.990 8.370 -0.000 0.000 0.452 89 K N -0.358 120.065 120.400 0.037 0.000 2.147 89 K HA -0.032 4.287 4.320 -0.001 0.000 0.205 89 K C 2.151 178.886 176.600 0.226 0.000 1.049 89 K CA 0.827 57.174 56.287 0.101 0.000 0.936 89 K CB 0.078 32.648 32.500 0.118 0.000 0.722 89 K HN 0.130 8.380 8.250 -0.000 0.000 0.446 90 M N -0.539 119.203 119.600 0.236 0.000 2.325 90 M HA -0.085 4.395 4.480 -0.001 0.000 0.265 90 M C 1.784 178.225 176.300 0.235 0.000 1.094 90 M CA 0.613 56.105 55.300 0.320 0.000 1.161 90 M CB -0.051 32.708 32.600 0.266 0.000 1.358 90 M HN 0.080 8.370 8.290 -0.000 0.000 0.446 91 L N 1.186 122.475 121.223 0.110 0.000 2.079 91 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 91 L C 2.375 179.249 176.870 0.007 0.000 1.081 91 L CA 1.785 56.656 54.840 0.050 0.000 0.752 91 L CB -0.951 41.107 42.059 -0.000 0.000 0.896 91 L HN 0.244 8.474 8.230 -0.000 0.000 0.433 92 K N -1.018 119.350 120.400 -0.055 0.000 2.148 92 K HA -0.295 4.025 4.320 -0.001 0.000 0.213 92 K C 2.091 178.573 176.600 -0.197 0.000 1.050 92 K CA 2.334 58.513 56.287 -0.181 0.000 0.932 92 K CB -0.381 31.918 32.500 -0.335 0.000 0.717 92 K HN 0.381 8.631 8.250 -0.000 0.000 0.462 93 Y N -0.558 119.759 120.300 0.028 0.000 2.420 93 Y HA 0.018 4.567 4.550 -0.001 0.000 0.292 93 Y C 2.273 178.216 175.900 0.071 0.000 1.119 93 Y CA 0.773 58.895 58.100 0.036 0.000 1.229 93 Y CB -0.173 38.296 38.460 0.016 0.000 1.026 93 Y HN 0.158 8.438 8.280 -0.000 0.000 0.554 94 A N -0.239 122.700 122.820 0.199 0.000 1.898 94 A HA -0.063 4.257 4.320 -0.001 0.000 0.214 94 A C 2.014 179.608 177.584 0.017 0.000 1.183 94 A CA 0.966 53.107 52.037 0.172 0.000 0.622 94 A CB -0.720 18.340 19.000 0.100 0.000 0.824 94 A HN 0.261 8.411 8.150 -0.000 0.000 0.444 95 L N 0.381 121.575 121.223 -0.049 0.000 2.012 95 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 95 L C 2.372 179.282 176.870 0.066 0.000 1.073 95 L CA 2.312 57.119 54.840 -0.055 0.000 0.748 95 L CB -1.223 40.794 42.059 -0.070 0.000 0.891 95 L HN 0.495 8.725 8.230 -0.000 0.000 0.431 96 K N -0.255 120.187 120.400 0.071 0.000 2.063 96 K HA -0.255 4.065 4.320 -0.001 0.000 0.208 96 K C 2.047 178.768 176.600 0.203 0.000 1.048 96 K CA 1.714 58.077 56.287 0.126 0.000 0.928 96 K CB 0.098 32.637 32.500 0.066 0.000 0.713 96 K HN 0.187 8.437 8.250 -0.000 0.000 0.442 97 E N 0.772 121.101 120.200 0.216 0.000 2.110 97 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 97 E C 2.009 178.778 176.600 0.281 0.000 0.988 97 E CA 1.230 57.772 56.400 0.235 0.000 0.804 97 E CB -0.043 29.854 29.700 0.328 0.000 0.745 97 E HN 0.201 8.561 8.360 -0.000 0.000 0.458 98 R N -0.465 120.259 120.500 0.373 0.000 2.096 98 R HA -0.154 4.186 4.340 -0.001 0.000 0.235 98 R C 2.226 178.696 176.300 0.284 0.000 1.127 98 R CA 1.572 57.948 56.100 0.460 0.000 0.968 98 R CB -0.556 29.896 30.300 0.254 0.000 0.861 98 R HN 0.469 8.739 8.270 -0.000 0.000 0.440 99 W N 1.447 122.803 121.300 0.094 0.000 2.379 99 W HA -0.146 4.513 4.660 -0.001 0.000 0.307 99 W C 1.082 177.619 176.519 0.031 0.000 1.200 99 W CA 1.122 58.499 57.345 0.052 0.000 1.297 99 W CB -0.286 29.186 29.460 0.021 0.000 1.140 99 W HN 0.163 8.343 8.180 -0.000 0.000 0.507 100 N N 0.610 119.327 118.700 0.029 0.000 2.309 100 N HA -0.111 4.628 4.740 -0.001 0.000 0.182 100 N C 1.229 176.631 175.510 -0.179 0.000 1.018 100 N CA 1.145 54.151 53.050 -0.074 0.000 0.876 100 N CB -0.375 38.117 38.487 0.008 0.000 0.972 100 N HN 0.288 8.668 8.380 -0.000 0.000 0.434 101 R N 0.855 121.232 120.500 -0.204 0.000 2.552 101 R HA 0.178 4.518 4.340 -0.001 0.000 0.314 101 R C 1.425 177.629 176.300 -0.161 0.000 1.041 101 R CA -0.176 55.733 56.100 -0.318 0.000 1.076 101 R CB 0.303 30.135 30.300 -0.780 0.000 1.290 101 R HN 0.267 8.537 8.270 -0.000 0.000 0.563 102 R N 0.236 120.634 120.500 -0.171 0.000 2.293 102 R HA -0.065 4.275 4.340 -0.001 0.000 0.219 102 R C 0.838 177.084 176.300 -0.089 0.000 1.091 102 R CA 1.147 57.176 56.100 -0.118 0.000 1.004 102 R CB 0.012 30.086 30.300 -0.376 0.000 0.865 102 R HN -0.120 8.150 8.270 -0.000 0.000 0.469 103 K N 1.073 121.404 120.400 -0.115 0.000 2.361 103 K HA 0.090 4.410 4.320 -0.001 0.000 0.196 103 K C -0.191 176.401 176.600 -0.014 0.000 1.039 103 K CA 0.509 56.751 56.287 -0.075 0.000 1.001 103 K CB 0.443 32.882 32.500 -0.101 0.000 0.795 103 K HN 0.351 8.601 8.250 -0.000 0.000 0.495 104 E N 1.684 121.899 120.200 0.026 0.000 2.223 104 E HA 0.030 4.380 4.350 -0.001 0.000 0.282 104 E C -1.814 174.871 176.600 0.142 0.000 1.046 104 E CA -1.706 54.748 56.400 0.090 0.000 0.857 104 E CB 0.890 30.681 29.700 0.153 0.000 1.055 104 E HN 0.016 8.376 8.360 -0.000 0.000 0.409 105 P HA -0.266 4.154 4.420 -0.000 0.000 0.218 105 P C 0.931 178.285 177.300 0.090 0.000 1.146 105 P CA 1.208 64.354 63.100 0.076 0.000 0.813 105 P CB 0.340 32.066 31.700 0.042 0.000 0.778 106 A N -0.705 122.170 122.820 0.093 0.000 1.897 106 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 106 A C 2.049 179.609 177.584 -0.040 0.000 1.181 106 A CA 1.011 53.045 52.037 -0.006 0.000 0.620 106 A CB -1.626 17.331 19.000 -0.073 0.000 0.821 106 A HN 0.060 8.210 8.150 -0.000 0.000 0.443 107 F N 0.086 120.082 119.950 0.078 0.000 2.234 107 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 107 F C 1.975 177.890 175.800 0.190 0.000 1.087 107 F CA 1.598 59.697 58.000 0.166 0.000 1.340 107 F CB -0.287 38.789 39.000 0.127 0.000 1.031 107 F HN 0.345 8.645 8.300 -0.000 0.000 0.500 108 D N -0.068 120.488 120.400 0.260 0.000 2.263 108 D HA -0.161 4.479 4.640 -0.001 0.000 0.208 108 D C 1.673 178.068 176.300 0.158 0.000 0.971 108 D CA 1.109 55.212 54.000 0.172 0.000 0.867 108 D CB 0.050 40.912 40.800 0.103 0.000 0.929 108 D HN 0.040 8.410 8.370 -0.000 0.000 0.492 109 K N -0.907 119.582 120.400 0.148 0.000 2.374 109 K HA 0.107 4.427 4.320 -0.001 0.000 0.196 109 K C -0.426 176.296 176.600 0.204 0.000 1.023 109 K CA -0.373 55.995 56.287 0.134 0.000 1.103 109 K CB 0.176 32.727 32.500 0.085 0.000 0.848 109 K HN 0.195 8.445 8.250 -0.000 0.000 0.528 110 W N 1.997 123.296 121.300 -0.002 0.000 2.368 110 W HA 0.167 4.827 4.660 -0.001 0.000 0.316 110 W C -0.718 175.831 176.519 0.050 0.000 1.375 110 W CA -0.938 56.404 57.345 -0.005 0.000 1.261 110 W CB 0.207 29.632 29.460 -0.059 0.000 1.298 110 W HN -0.343 7.837 8.180 -0.000 0.000 0.539 111 V N 9.263 129.311 119.914 0.224 0.000 2.465 111 V HA 0.328 4.447 4.120 -0.001 0.000 0.279 111 V C 0.283 176.279 176.094 -0.162 0.000 1.045 111 V CA -0.616 61.699 62.300 0.025 0.000 0.938 111 V CB 0.877 32.765 31.823 0.109 0.000 0.986 111 V HN 0.314 8.504 8.190 -0.000 0.000 0.467 112 I N 4.179 124.590 120.570 -0.266 0.000 2.466 112 I HA 0.594 4.764 4.170 -0.001 0.000 0.289 112 I C -0.542 175.498 176.117 -0.129 0.000 1.026 112 I CA -0.417 60.713 61.300 -0.284 0.000 1.078 112 I CB 2.155 39.864 38.000 -0.486 0.000 1.249 112 I HN 0.539 8.749 8.210 -0.000 0.000 0.429 113 E N 3.859 124.021 120.200 -0.063 0.000 2.393 113 E HA 0.449 4.799 4.350 -0.001 0.000 0.273 113 E C -1.319 175.268 176.600 -0.021 0.000 0.918 113 E CA -0.741 55.642 56.400 -0.029 0.000 0.773 113 E CB 1.880 31.584 29.700 0.008 0.000 1.275 113 E HN 0.372 8.732 8.360 -0.000 0.000 0.451 114 E N 0.562 120.749 120.200 -0.021 0.000 2.338 114 E HA 0.631 4.980 4.350 -0.001 0.000 0.272 114 E C -1.007 175.586 176.600 -0.011 0.000 1.029 114 E CA -0.093 56.293 56.400 -0.023 0.000 0.872 114 E CB 1.317 31.001 29.700 -0.027 0.000 1.015 114 E HN 0.474 8.834 8.360 -0.000 0.000 0.417 115 A N 3.490 126.296 122.820 -0.023 0.000 2.597 115 A HA 0.528 4.848 4.320 -0.001 0.000 0.292 115 A C -1.461 176.087 177.584 -0.061 0.000 1.057 115 A CA -0.794 51.236 52.037 -0.011 0.000 0.674 115 A CB 1.381 20.400 19.000 0.031 0.000 1.278 115 A HN 0.660 8.810 8.150 -0.000 0.000 0.416 116 N N 0.105 118.778 118.700 -0.045 0.000 2.238 116 N HA 0.464 5.204 4.740 -0.001 0.000 0.302 116 N C 0.289 175.813 175.510 0.023 0.000 1.072 116 N CA -0.810 52.167 53.050 -0.121 0.000 0.792 116 N CB 0.855 39.297 38.487 -0.075 0.000 1.425 116 N HN 0.643 9.023 8.380 -0.000 0.000 0.478 117 W N 1.937 123.274 121.300 0.062 0.000 2.374 117 W HA -0.066 4.594 4.660 -0.001 0.000 0.288 117 W C 1.390 177.951 176.519 0.068 0.000 1.218 117 W CA 0.031 57.425 57.345 0.082 0.000 1.245 117 W CB -0.666 28.873 29.460 0.133 0.000 1.126 117 W HN 0.545 8.725 8.180 -0.000 0.000 0.545 118 L N 0.116 121.490 121.223 0.252 0.000 2.201 118 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 118 L C 1.981 178.915 176.870 0.106 0.000 1.105 118 L CA 2.161 57.097 54.840 0.160 0.000 0.775 118 L CB -1.648 40.474 42.059 0.106 0.000 0.913 118 L HN 0.025 8.255 8.230 -0.000 0.000 0.440 119 T N -5.375 109.234 114.554 0.092 0.000 3.200 119 T HA 0.122 4.472 4.350 -0.001 0.000 0.284 119 T C 1.456 176.202 174.700 0.077 0.000 1.009 119 T CA -0.220 61.919 62.100 0.066 0.000 0.907 119 T CB -0.151 68.741 68.868 0.040 0.000 1.120 119 T HN -0.001 8.239 8.240 -0.000 0.000 0.534 120 L N 3.300 124.590 121.223 0.111 0.000 2.079 120 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 120 L C 2.025 178.953 176.870 0.096 0.000 1.081 120 L CA 2.387 57.299 54.840 0.120 0.000 0.752 120 L CB -0.580 41.584 42.059 0.174 0.000 0.896 120 L HN 0.373 8.603 8.230 -0.000 0.000 0.433 121 D N -0.832 119.617 120.400 0.082 0.000 2.182 121 D HA -0.254 4.385 4.640 -0.001 0.000 0.201 121 D C 1.694 178.032 176.300 0.064 0.000 0.986 121 D CA 1.603 55.646 54.000 0.071 0.000 0.847 121 D CB -0.546 40.286 40.800 0.053 0.000 0.942 121 D HN 0.427 8.797 8.370 -0.000 0.000 0.467 122 K N -0.439 119.994 120.400 0.055 0.000 2.418 122 K HA 0.002 4.322 4.320 -0.001 0.000 0.195 122 K C 0.701 177.330 176.600 0.047 0.000 1.035 122 K CA 0.757 57.072 56.287 0.045 0.000 1.003 122 K CB 0.365 32.886 32.500 0.036 0.000 0.793 122 K HN 0.133 8.383 8.250 -0.000 0.000 0.494 123 D N -0.109 120.325 120.400 0.057 0.000 2.422 123 D HA 0.036 4.676 4.640 -0.001 0.000 0.218 123 D C -0.011 176.331 176.300 0.071 0.000 1.047 123 D CA 0.441 54.474 54.000 0.054 0.000 0.885 123 D CB 0.832 41.661 40.800 0.048 0.000 1.035 123 D HN -0.172 8.198 8.370 -0.000 0.000 0.502 124 V N 2.403 122.375 119.914 0.096 0.000 2.487 124 V HA 0.340 4.460 4.120 -0.001 0.000 0.298 124 V C -2.455 173.734 176.094 0.158 0.000 1.028 124 V CA -1.622 60.761 62.300 0.138 0.000 0.860 124 V CB 2.061 33.977 31.823 0.154 0.000 0.991 124 V HN -0.143 8.047 8.190 -0.000 0.000 0.427 125 P HA 0.329 4.749 4.420 -0.000 0.000 0.277 125 P C 0.570 177.960 177.300 0.151 0.000 1.354 125 P CA -0.130 63.042 63.100 0.120 0.000 0.891 125 P CB 1.309 33.054 31.700 0.076 0.000 1.058 126 A N 3.880 126.797 122.820 0.162 0.000 1.898 126 A HA 0.201 4.520 4.320 -0.001 0.000 0.216 126 A C 1.736 179.247 177.584 -0.122 0.000 1.181 126 A CA 1.789 53.889 52.037 0.104 0.000 0.620 126 A CB -1.408 17.690 19.000 0.163 0.000 0.819 126 A HN 0.621 8.771 8.150 -0.000 0.000 0.442 127 G N -0.623 108.154 108.800 -0.040 0.000 2.601 127 G HA2 -0.429 3.531 3.960 -0.001 0.000 0.306 127 G HA3 -0.429 3.531 3.960 -0.001 0.000 0.306 127 G C 0.523 175.398 174.900 -0.041 0.000 1.172 127 G CA 0.906 45.975 45.100 -0.051 0.000 0.966 127 G HN 0.417 8.707 8.290 -0.000 0.000 0.542 128 D N 2.433 122.792 120.400 -0.068 0.000 2.340 128 D HA 0.466 5.105 4.640 -0.001 0.000 0.220 128 D C 1.075 177.358 176.300 -0.028 0.000 1.039 128 D CA 2.199 56.177 54.000 -0.037 0.000 0.866 128 D CB 0.268 41.050 40.800 -0.029 0.000 0.913 128 D HN 1.630 10.000 8.370 -0.000 0.000 0.523 129 G N -0.576 108.178 108.800 -0.076 0.000 2.570 129 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.686 129 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.686 129 G C -0.782 174.079 174.900 -0.065 0.000 1.257 129 G CA -1.156 43.950 45.100 0.009 0.000 0.846 129 G HN 0.022 8.312 8.290 -0.000 0.000 0.627 130 F N 0.129 120.114 119.950 0.059 0.000 2.380 130 F HA 0.486 5.013 4.527 -0.001 0.000 0.321 130 F C 1.580 177.414 175.800 0.056 0.000 1.103 130 F CA -0.234 57.802 58.000 0.061 0.000 1.067 130 F CB 1.023 40.060 39.000 0.062 0.000 1.265 130 F HN 0.439 8.739 8.300 -0.000 0.000 0.517 131 D N 0.514 121.052 120.400 0.231 0.000 2.123 131 D HA 0.114 4.753 4.640 -0.001 0.000 0.200 131 D C 0.263 176.620 176.300 0.095 0.000 0.976 131 D CA 1.086 55.167 54.000 0.135 0.000 0.831 131 D CB 0.028 40.896 40.800 0.113 0.000 0.974 131 D HN 0.393 8.763 8.370 -0.000 0.000 0.469 132 A N -0.018 122.859 122.820 0.096 0.000 2.435 132 A HA 0.593 4.912 4.320 -0.001 0.000 0.304 132 A C -0.929 176.684 177.584 0.048 0.000 1.064 132 A CA -0.586 51.472 52.037 0.035 0.000 0.727 132 A CB 1.903 20.875 19.000 -0.047 0.000 1.284 132 A HN -0.097 8.053 8.150 -0.000 0.000 0.415 133 V N 2.807 122.745 119.914 0.040 0.000 2.435 133 V HA 0.558 4.678 4.120 -0.001 0.000 0.290 133 V C -0.107 175.999 176.094 0.019 0.000 1.030 133 V CA -0.304 61.997 62.300 0.001 0.000 0.881 133 V CB 1.221 33.052 31.823 0.014 0.000 0.983 133 V HN 0.820 9.010 8.190 -0.000 0.000 0.445 134 I N 1.598 122.178 120.570 0.016 0.000 2.530 134 I HA 0.752 4.921 4.170 -0.001 0.000 0.297 134 I C -0.434 175.736 176.117 0.089 0.000 1.011 134 I CA -0.344 60.993 61.300 0.062 0.000 1.107 134 I CB 1.891 39.925 38.000 0.057 0.000 1.285 134 I HN 0.616 8.826 8.210 -0.000 0.000 0.436 135 C N 7.539 126.904 119.300 0.108 0.000 3.493 135 C HA 0.570 5.030 4.460 -0.001 0.000 0.228 135 C C -0.677 174.383 174.990 0.117 0.000 1.227 135 C CA -0.318 58.773 59.018 0.123 0.000 1.291 135 C CB -0.596 27.174 27.740 0.051 0.000 1.820 135 C HN 0.747 8.977 8.230 -0.000 0.000 0.547 136 L N 1.836 123.117 121.223 0.097 0.000 2.400 136 L HA 0.834 5.174 4.340 -0.001 0.000 0.264 136 L C 1.479 178.278 176.870 -0.118 0.000 1.061 136 L CA 1.428 56.255 54.840 -0.021 0.000 0.799 136 L CB 0.898 42.946 42.059 -0.018 0.000 1.240 136 L HN 0.799 9.029 8.230 -0.000 0.000 0.461 137 G N 1.420 109.985 108.800 -0.392 0.000 2.157 137 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.239 137 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.239 137 G C 0.581 175.555 174.900 0.125 0.000 0.982 137 G CA 0.650 45.611 45.100 -0.232 0.000 0.650 137 G HN 0.898 9.188 8.290 -0.000 0.000 0.527 138 N N -1.209 117.601 118.700 0.183 0.000 2.815 138 N HA -0.182 4.558 4.740 -0.001 0.000 0.249 138 N C 1.160 176.715 175.510 0.074 0.000 1.114 138 N CA 1.853 55.059 53.050 0.261 0.000 0.717 138 N CB -1.366 37.360 38.487 0.398 0.000 1.074 138 N HN 0.610 8.990 8.380 -0.000 0.000 0.555 139 S N -0.997 114.700 115.700 -0.004 0.000 2.470 139 S HA 0.097 4.566 4.470 -0.001 0.000 0.225 139 S C 1.226 175.803 174.600 -0.039 0.000 1.006 139 S CA 0.489 58.535 58.200 -0.257 0.000 0.934 139 S CB -0.163 63.158 63.200 0.201 0.000 0.778 139 S HN 0.494 8.804 8.310 -0.000 0.000 0.517 140 F N 2.873 122.796 119.950 -0.045 0.000 2.234 140 F HA 0.064 4.590 4.527 -0.001 0.000 0.299 140 F C 2.145 178.004 175.800 0.098 0.000 1.087 140 F CA 0.810 58.734 58.000 -0.126 0.000 1.340 140 F CB -0.395 38.440 39.000 -0.274 0.000 1.031 140 F HN 0.193 8.493 8.300 -0.000 0.000 0.500 141 A N -0.949 121.955 122.820 0.140 0.000 2.216 141 A HA -0.153 4.166 4.320 -0.001 0.000 0.214 141 A C 1.633 179.392 177.584 0.293 0.000 1.160 141 A CA 1.273 53.489 52.037 0.298 0.000 0.725 141 A CB -1.445 17.832 19.000 0.461 0.000 0.784 141 A HN 0.703 8.853 8.150 -0.000 0.000 0.472 142 H N -1.923 117.272 119.070 0.208 0.000 2.495 142 H HA 0.069 4.625 4.556 -0.001 0.000 0.287 142 H C 0.331 175.681 175.328 0.037 0.000 1.033 142 H CA -0.038 56.067 56.048 0.094 0.000 1.307 142 H CB 0.101 29.939 29.762 0.125 0.000 1.401 142 H HN 0.410 8.690 8.280 -0.000 0.000 0.555 143 L N 4.187 125.495 121.223 0.141 0.000 2.325 143 L HA 0.189 4.529 4.340 -0.001 0.000 0.284 143 L C -2.178 174.768 176.870 0.127 0.000 1.089 143 L CA -2.161 52.728 54.840 0.081 0.000 0.836 143 L CB 0.447 42.520 42.059 0.023 0.000 1.184 143 L HN -0.111 8.119 8.230 -0.000 0.000 0.444 144 P HA 0.094 4.514 4.420 -0.000 0.000 0.274 144 P C -1.248 176.093 177.300 0.067 0.000 1.256 144 P CA -0.376 62.791 63.100 0.112 0.000 0.795 144 P CB 0.805 32.528 31.700 0.037 0.000 1.038 145 D N -0.247 120.144 120.400 -0.016 0.000 2.473 145 D HA 0.223 4.863 4.640 -0.001 0.000 0.226 145 D C 0.610 176.926 176.300 0.027 0.000 1.089 145 D CA -0.290 53.615 54.000 -0.160 0.000 0.883 145 D CB 0.134 40.737 40.800 -0.328 0.000 1.029 145 D HN 0.019 8.389 8.370 -0.000 0.000 0.517 146 S N 2.699 118.395 115.700 -0.006 0.000 2.478 146 S HA 0.005 4.474 4.470 -0.001 0.000 0.222 146 S C 1.492 176.109 174.600 0.029 0.000 1.008 146 S CA 0.150 58.372 58.200 0.037 0.000 0.928 146 S CB 0.231 63.440 63.200 0.014 0.000 0.781 146 S HN 0.430 8.740 8.310 -0.000 0.000 0.518 147 K N 0.404 120.802 120.400 -0.003 0.000 2.397 147 K HA 0.233 4.553 4.320 -0.001 0.000 0.202 147 K C 1.270 177.870 176.600 0.001 0.000 1.022 147 K CA 0.519 56.802 56.287 -0.006 0.000 1.141 147 K CB -0.061 32.426 32.500 -0.022 0.000 0.857 147 K HN 0.335 8.585 8.250 -0.000 0.000 0.514 148 G N 1.723 110.545 108.800 0.037 0.000 2.507 148 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.240 148 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.240 148 G C -0.154 174.760 174.900 0.022 0.000 1.119 148 G CA 0.734 45.862 45.100 0.046 0.000 0.664 148 G HN 0.619 8.909 8.290 -0.000 0.000 0.516 149 D N 0.684 121.074 120.400 -0.016 0.000 2.312 149 D HA 0.490 5.129 4.640 -0.001 0.000 0.248 149 D C 0.553 176.797 176.300 -0.093 0.000 1.086 149 D CA -0.539 53.442 54.000 -0.032 0.000 0.948 149 D CB 0.480 41.264 40.800 -0.028 0.000 1.162 149 D HN 0.383 8.753 8.370 -0.000 0.000 0.446 150 Q N 0.128 119.860 119.800 -0.113 0.000 2.620 150 Q HA 0.108 4.448 4.340 -0.001 0.000 0.333 150 Q C 0.864 176.757 176.000 -0.178 0.000 1.017 150 Q CA -0.338 55.308 55.803 -0.261 0.000 0.962 150 Q CB 0.110 28.715 28.738 -0.222 0.000 1.297 150 Q HN 0.594 8.864 8.270 -0.000 0.000 0.419 151 S N -0.641 114.988 115.700 -0.119 0.000 2.383 151 S HA -0.194 4.275 4.470 -0.001 0.000 0.227 151 S C 1.463 176.049 174.600 -0.024 0.000 1.026 151 S CA 0.884 59.053 58.200 -0.051 0.000 0.981 151 S CB 0.024 63.203 63.200 -0.035 0.000 0.818 151 S HN 0.463 8.773 8.310 -0.000 0.000 0.472 152 E N 0.738 120.905 120.200 -0.054 0.000 2.110 152 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 152 E C 2.097 178.804 176.600 0.178 0.000 0.988 152 E CA 1.416 57.834 56.400 0.031 0.000 0.804 152 E CB -0.240 29.464 29.700 0.007 0.000 0.745 152 E HN 0.629 8.989 8.360 -0.000 0.000 0.458 153 H N 0.525 119.644 119.070 0.082 0.000 2.353 153 H HA -0.012 4.543 4.556 -0.001 0.000 0.300 153 H C 2.070 177.498 175.328 0.167 0.000 1.090 153 H CA 1.047 57.246 56.048 0.252 0.000 1.327 153 H CB -0.220 29.695 29.762 0.254 0.000 1.383 153 H HN 0.094 8.374 8.280 -0.000 0.000 0.508 154 R N -0.101 120.499 120.500 0.166 0.000 2.080 154 R HA -0.119 4.221 4.340 -0.001 0.000 0.236 154 R C 2.366 178.687 176.300 0.035 0.000 1.137 154 R CA 1.249 57.377 56.100 0.046 0.000 0.943 154 R CB -0.619 29.686 30.300 0.008 0.000 0.846 154 R HN 0.158 8.428 8.270 -0.000 0.000 0.431 155 L N 0.978 122.239 121.223 0.063 0.000 1.970 155 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 155 L C 2.359 179.283 176.870 0.090 0.000 1.071 155 L CA 2.246 57.123 54.840 0.061 0.000 0.751 155 L CB -0.888 41.212 42.059 0.069 0.000 0.889 155 L HN 0.186 8.416 8.230 -0.000 0.000 0.432 156 A N -0.818 122.111 122.820 0.183 0.000 1.903 156 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 156 A C 2.220 179.861 177.584 0.095 0.000 1.191 156 A CA 2.286 54.478 52.037 0.259 0.000 0.638 156 A CB -1.062 18.222 19.000 0.472 0.000 0.823 156 A HN 0.473 8.623 8.150 -0.000 0.000 0.451 157 L N -0.351 120.863 121.223 -0.014 0.000 2.156 157 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 157 L C 2.330 179.061 176.870 -0.232 0.000 1.095 157 L CA 2.238 56.925 54.840 -0.255 0.000 0.770 157 L CB -0.745 41.092 42.059 -0.370 0.000 0.914 157 L HN 0.565 8.795 8.230 -0.000 0.000 0.439 158 K N -0.452 119.855 120.400 -0.155 0.000 2.025 158 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 158 K C 1.782 178.298 176.600 -0.140 0.000 1.049 158 K CA 1.699 57.882 56.287 -0.173 0.000 0.933 158 K CB -0.074 32.367 32.500 -0.097 0.000 0.714 158 K HN 0.438 8.688 8.250 -0.000 0.000 0.438 159 N N 0.538 119.206 118.700 -0.053 0.000 2.166 159 N HA -0.123 4.617 4.740 -0.001 0.000 0.186 159 N C 1.915 177.409 175.510 -0.026 0.000 1.019 159 N CA 1.203 54.248 53.050 -0.008 0.000 0.856 159 N CB -0.088 38.438 38.487 0.066 0.000 0.993 159 N HN 0.168 8.548 8.380 -0.000 0.000 0.426 160 I N 1.260 121.791 120.570 -0.066 0.000 2.226 160 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 160 I C 2.536 178.569 176.117 -0.141 0.000 1.100 160 I CA 0.726 61.970 61.300 -0.094 0.000 1.374 160 I CB -0.377 37.517 38.000 -0.178 0.000 1.057 160 I HN 0.156 8.366 8.210 -0.000 0.000 0.413 161 A N 0.849 123.487 122.820 -0.302 0.000 1.917 161 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 161 A C 2.472 179.882 177.584 -0.291 0.000 1.182 161 A CA 2.409 54.104 52.037 -0.570 0.000 0.633 161 A CB -0.945 17.485 19.000 -0.950 0.000 0.819 161 A HN 0.550 8.700 8.150 -0.000 0.000 0.448 162 S N -1.102 114.497 115.700 -0.168 0.000 2.474 162 S HA -0.075 4.395 4.470 -0.001 0.000 0.235 162 S C 1.650 176.270 174.600 0.034 0.000 0.997 162 S CA 1.434 59.599 58.200 -0.059 0.000 0.949 162 S CB -0.380 62.802 63.200 -0.031 0.000 0.766 162 S HN 0.401 8.711 8.310 -0.000 0.000 0.517 163 M N 1.592 121.232 119.600 0.067 0.000 2.595 163 M HA 0.257 4.736 4.480 -0.001 0.000 0.248 163 M C 0.080 176.527 176.300 0.245 0.000 1.119 163 M CA 0.220 55.636 55.300 0.193 0.000 1.079 163 M CB -0.480 32.210 32.600 0.149 0.000 1.472 163 M HN 0.120 8.410 8.290 -0.000 0.000 0.501 164 V N 1.917 121.929 119.914 0.164 0.000 2.461 164 V HA 0.194 4.313 4.120 -0.001 0.000 0.275 164 V C 0.860 177.057 176.094 0.172 0.000 1.047 164 V CA -0.701 61.718 62.300 0.198 0.000 0.955 164 V CB 0.839 32.812 31.823 0.250 0.000 0.988 164 V HN 0.352 8.542 8.190 -0.000 0.000 0.471 165 R N 5.752 126.344 120.500 0.153 0.000 2.734 165 R HA 0.144 4.483 4.340 -0.001 0.000 0.266 165 R C -2.412 173.952 176.300 0.106 0.000 1.044 165 R CA -1.191 54.973 56.100 0.106 0.000 1.128 165 R CB 0.439 30.790 30.300 0.086 0.000 1.010 165 R HN 0.424 8.694 8.270 -0.000 0.000 0.461 166 P HA 0.037 4.457 4.420 -0.000 0.000 0.264 166 P C -0.010 177.330 177.300 0.068 0.000 1.193 166 P CA 1.060 64.209 63.100 0.081 0.000 0.763 166 P CB 0.815 32.553 31.700 0.064 0.000 0.810 167 G N 1.906 110.742 108.800 0.060 0.000 2.179 167 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.260 167 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.260 167 G C 0.623 175.551 174.900 0.045 0.000 0.977 167 G CA -0.100 45.030 45.100 0.051 0.000 0.641 167 G HN 0.879 9.169 8.290 -0.000 0.000 0.533 168 G N -0.933 107.900 108.800 0.056 0.000 2.557 168 G HA2 0.676 4.636 3.960 -0.001 0.000 0.292 168 G HA3 0.676 4.636 3.960 -0.001 0.000 0.292 168 G C -0.532 174.370 174.900 0.005 0.000 1.237 168 G CA -0.655 44.473 45.100 0.046 0.000 0.978 168 G HN 0.520 8.810 8.290 -0.000 0.000 0.498 169 L N -0.660 120.551 121.223 -0.020 0.000 2.334 169 L HA 0.560 4.899 4.340 -0.001 0.000 0.273 169 L C -0.379 176.518 176.870 0.045 0.000 1.013 169 L CA -0.801 54.007 54.840 -0.053 0.000 0.816 169 L CB 1.779 43.752 42.059 -0.144 0.000 1.278 169 L HN 0.384 8.614 8.230 -0.000 0.000 0.431 170 L N 3.130 124.399 121.223 0.077 0.000 2.313 170 L HA 0.681 5.021 4.340 -0.001 0.000 0.283 170 L C -1.035 175.909 176.870 0.123 0.000 1.013 170 L CA -0.318 54.607 54.840 0.141 0.000 0.816 170 L CB 1.703 43.936 42.059 0.289 0.000 1.236 170 L HN 0.278 8.508 8.230 -0.000 0.000 0.419 171 V N 7.185 127.178 119.914 0.132 0.000 2.334 171 V HA 0.544 4.664 4.120 -0.001 0.000 0.281 171 V C -0.261 175.957 176.094 0.206 0.000 1.016 171 V CA -0.403 62.020 62.300 0.204 0.000 0.832 171 V CB 1.257 33.216 31.823 0.226 0.000 0.999 171 V HN 0.740 8.930 8.190 -0.000 0.000 0.439 172 I N 4.828 125.538 120.570 0.233 0.000 2.607 172 I HA 0.608 4.777 4.170 -0.001 0.000 0.290 172 I C -1.431 174.824 176.117 0.230 0.000 1.129 172 I CA -0.301 61.111 61.300 0.187 0.000 1.042 172 I CB 2.333 40.404 38.000 0.119 0.000 1.242 172 I HN 0.784 8.994 8.210 -0.000 0.000 0.421 173 D N 5.910 126.411 120.400 0.168 0.000 2.467 173 D HA 0.572 5.211 4.640 -0.001 0.000 0.245 173 D C -1.180 175.166 176.300 0.076 0.000 1.038 173 D CA -0.154 53.936 54.000 0.149 0.000 1.038 173 D CB 1.312 42.222 40.800 0.184 0.000 1.278 173 D HN 0.630 9.000 8.370 -0.000 0.000 0.564 174 H N -2.665 116.447 119.070 0.070 0.000 3.046 174 H HA 0.548 5.104 4.556 -0.001 0.000 0.361 174 H C -0.858 174.503 175.328 0.055 0.000 1.235 174 H CA -0.961 55.112 56.048 0.042 0.000 1.146 174 H CB 1.233 30.870 29.762 -0.209 0.000 1.859 174 H HN 0.359 8.639 8.280 -0.000 0.000 0.548 175 R N 0.810 121.342 120.500 0.054 0.000 2.784 175 R HA 0.017 4.356 4.340 -0.001 0.000 0.266 175 R C -0.037 176.074 176.300 -0.314 0.000 1.044 175 R CA 0.026 55.810 56.100 -0.527 0.000 1.151 175 R CB 0.039 29.872 30.300 -0.779 0.000 1.037 175 R HN 0.836 9.106 8.270 -0.000 0.000 0.478 176 N N 2.499 120.932 118.700 -0.445 0.000 2.549 176 N HA -0.029 4.711 4.740 -0.001 0.000 0.267 176 N C -0.106 175.317 175.510 -0.145 0.000 1.182 176 N CA -0.107 52.897 53.050 -0.076 0.000 1.019 176 N CB 0.196 38.544 38.487 -0.231 0.000 1.380 176 N HN 0.536 8.916 8.380 -0.000 0.000 0.505 177 Y N 1.525 121.924 120.300 0.165 0.000 2.395 177 Y HA -0.106 4.443 4.550 -0.001 0.000 0.293 177 Y C 1.856 177.806 175.900 0.083 0.000 1.123 177 Y CA 0.612 58.758 58.100 0.077 0.000 1.227 177 Y CB 0.116 38.600 38.460 0.040 0.000 1.012 177 Y HN 0.555 8.835 8.280 -0.000 0.000 0.552 178 D N -0.692 119.850 120.400 0.237 0.000 2.106 178 D HA -0.290 4.349 4.640 -0.001 0.000 0.191 178 D C 1.870 178.259 176.300 0.148 0.000 0.997 178 D CA 1.841 55.943 54.000 0.169 0.000 0.834 178 D CB -0.646 40.257 40.800 0.172 0.000 0.956 178 D HN 0.399 8.769 8.370 -0.000 0.000 0.448 179 Y N 1.424 121.737 120.300 0.023 0.000 2.181 179 Y HA -0.150 4.399 4.550 -0.001 0.000 0.288 179 Y C 2.402 178.274 175.900 -0.046 0.000 1.146 179 Y CA 1.131 59.214 58.100 -0.028 0.000 1.164 179 Y CB -0.262 38.149 38.460 -0.081 0.000 0.982 179 Y HN -0.104 8.176 8.280 -0.000 0.000 0.515 180 I N -0.837 119.837 120.570 0.173 0.000 2.226 180 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 180 I C 1.806 177.933 176.117 0.018 0.000 1.100 180 I CA 0.919 62.266 61.300 0.079 0.000 1.374 180 I CB -0.328 37.685 38.000 0.021 0.000 1.057 180 I HN 0.219 8.429 8.210 -0.000 0.000 0.413 181 L N 0.364 121.614 121.223 0.044 0.000 2.376 181 L HA -0.097 4.242 4.340 -0.001 0.000 0.219 181 L C 2.603 179.448 176.870 -0.041 0.000 1.133 181 L CA 1.621 56.471 54.840 0.016 0.000 0.816 181 L CB -0.843 41.242 42.059 0.044 0.000 0.933 181 L HN 0.318 8.548 8.230 -0.000 0.000 0.449 182 S N -3.725 111.914 115.700 -0.101 0.000 2.441 182 S HA -0.037 4.433 4.470 -0.001 0.000 0.224 182 S C 1.784 176.264 174.600 -0.200 0.000 1.043 182 S CA 0.806 58.917 58.200 -0.148 0.000 0.948 182 S CB -0.315 62.782 63.200 -0.173 0.000 0.810 182 S HN 0.279 8.589 8.310 -0.000 0.000 0.504 183 T N 1.004 115.379 114.554 -0.299 0.000 3.067 183 T HA 0.357 4.707 4.350 -0.001 0.000 0.257 183 T C 1.436 176.057 174.700 -0.131 0.000 1.105 183 T CA 0.746 62.689 62.100 -0.261 0.000 1.104 183 T CB -0.529 68.071 68.868 -0.447 0.000 0.925 183 T HN 0.849 9.089 8.240 -0.000 0.000 0.498 184 G N 0.887 109.629 108.800 -0.097 0.000 2.180 184 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.263 184 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.263 184 G C 0.202 175.077 174.900 -0.042 0.000 0.989 184 G CA 0.294 45.362 45.100 -0.054 0.000 0.692 184 G HN 0.599 8.889 8.290 -0.000 0.000 0.526 185 C N 0.649 119.929 119.300 -0.033 0.000 2.442 185 C HA 0.756 5.216 4.460 -0.001 0.000 0.335 185 C C 0.722 175.714 174.990 0.004 0.000 1.134 185 C CA -0.576 58.430 59.018 -0.020 0.000 1.344 185 C CB 0.926 28.657 27.740 -0.015 0.000 1.956 185 C HN 1.156 9.386 8.230 -0.000 0.000 0.438 186 A N 5.354 128.145 122.820 -0.048 0.000 2.457 186 A HA 0.561 4.880 4.320 -0.001 0.000 0.298 186 A C -2.233 175.300 177.584 -0.085 0.000 1.288 186 A CA -0.611 51.368 52.037 -0.097 0.000 0.956 186 A CB -0.425 18.484 19.000 -0.152 0.000 1.135 186 A HN 0.673 8.823 8.150 -0.000 0.000 0.535 187 P HA 0.307 4.727 4.420 -0.000 0.000 0.271 187 P C -2.578 174.696 177.300 -0.043 0.000 1.216 187 P CA -1.012 62.059 63.100 -0.048 0.000 0.776 187 P CB -0.079 31.594 31.700 -0.045 0.000 0.881 188 P HA 0.168 4.588 4.420 -0.000 0.000 0.275 188 P C 0.870 178.202 177.300 0.052 0.000 1.228 188 P CA 0.283 63.408 63.100 0.043 0.000 0.786 188 P CB 0.263 32.002 31.700 0.065 0.000 0.927 189 G N 1.499 110.359 108.800 0.099 0.000 2.212 189 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.267 189 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.267 189 G C 0.280 175.214 174.900 0.056 0.000 1.002 189 G CA 0.183 45.346 45.100 0.103 0.000 0.729 189 G HN 0.641 8.931 8.290 -0.000 0.000 0.517 190 K N 0.792 121.202 120.400 0.016 0.000 2.183 190 K HA 0.229 4.548 4.320 -0.001 0.000 0.272 190 K C -0.076 176.534 176.600 0.017 0.000 1.113 190 K CA -0.375 55.902 56.287 -0.017 0.000 0.949 190 K CB -0.060 32.391 32.500 -0.081 0.000 1.365 190 K HN 0.316 8.566 8.250 -0.000 0.000 0.420 191 N N 3.980 122.703 118.700 0.038 0.000 2.296 191 N HA 0.178 4.918 4.740 -0.001 0.000 0.294 191 N C 0.579 176.047 175.510 -0.070 0.000 1.033 191 N CA -0.351 52.733 53.050 0.056 0.000 0.839 191 N CB 1.305 39.876 38.487 0.141 0.000 1.395 191 N HN 0.476 8.856 8.380 -0.000 0.000 0.479 192 I N 0.454 120.864 120.570 -0.267 0.000 3.462 192 I HA 0.137 4.307 4.170 -0.001 0.000 0.290 192 I C 0.423 176.274 176.117 -0.443 0.000 1.236 192 I CA 0.166 61.212 61.300 -0.422 0.000 1.418 192 I CB -0.041 37.457 38.000 -0.838 0.000 1.102 192 I HN 0.332 8.542 8.210 -0.000 0.000 0.441 193 Y N 0.419 120.524 120.300 -0.325 0.000 2.441 193 Y HA 0.287 4.837 4.550 -0.001 0.000 0.288 193 Y C 0.155 175.626 175.900 -0.715 0.000 1.118 193 Y CA 0.261 58.012 58.100 -0.581 0.000 1.215 193 Y CB 0.027 38.026 38.460 -0.768 0.000 1.118 193 Y HN 0.027 8.307 8.280 -0.000 0.000 0.547 194 Y N -0.335 120.038 120.300 0.121 0.000 2.477 194 Y HA 0.458 5.008 4.550 -0.001 0.000 0.347 194 Y C -0.462 175.474 175.900 0.061 0.000 0.981 194 Y CA -2.063 56.099 58.100 0.103 0.000 1.033 194 Y CB 1.467 39.973 38.460 0.076 0.000 1.245 194 Y HN -0.404 7.876 8.280 -0.000 0.000 0.455 195 K N 1.729 122.218 120.400 0.149 0.000 2.267 195 K HA 0.409 4.728 4.320 -0.001 0.000 0.282 195 K C -0.882 175.775 176.600 0.095 0.000 1.078 195 K CA -0.186 56.160 56.287 0.098 0.000 0.903 195 K CB 0.390 32.931 32.500 0.068 0.000 1.111 195 K HN 0.576 8.826 8.250 -0.000 0.000 0.475 196 S N 3.787 119.537 115.700 0.084 0.000 2.499 196 S HA 0.110 4.579 4.470 -0.001 0.000 0.275 196 S C 0.333 174.965 174.600 0.054 0.000 1.257 196 S CA -0.662 57.577 58.200 0.066 0.000 1.050 196 S CB 0.964 64.219 63.200 0.091 0.000 0.937 196 S HN 0.589 8.899 8.310 -0.000 0.000 0.490 197 D N 0.920 121.342 120.400 0.037 0.000 2.305 197 D HA 0.063 4.703 4.640 -0.001 0.000 0.206 197 D C 0.176 176.502 176.300 0.044 0.000 0.974 197 D CA 0.429 54.450 54.000 0.034 0.000 0.871 197 D CB 0.238 41.049 40.800 0.018 0.000 0.947 197 D HN 0.243 8.613 8.370 -0.000 0.000 0.516 198 L N 1.382 122.640 121.223 0.058 0.000 2.375 198 L HA 0.182 4.522 4.340 -0.001 0.000 0.271 198 L C 0.272 177.206 176.870 0.107 0.000 1.107 198 L CA 0.113 55.000 54.840 0.079 0.000 0.806 198 L CB 1.369 43.488 42.059 0.100 0.000 1.146 198 L HN -0.236 7.994 8.230 -0.000 0.000 0.447 199 T N 4.396 119.008 114.554 0.098 0.000 2.780 199 T HA 0.510 4.860 4.350 -0.001 0.000 0.294 199 T C -0.118 174.676 174.700 0.155 0.000 0.949 199 T CA -0.626 61.542 62.100 0.113 0.000 1.074 199 T CB 0.601 69.524 68.868 0.091 0.000 0.910 199 T HN 0.584 8.824 8.240 -0.000 0.000 0.501 200 K N 1.277 121.780 120.400 0.171 0.000 2.477 200 K HA 0.711 5.031 4.320 -0.001 0.000 0.255 200 K C -1.681 175.006 176.600 0.145 0.000 0.952 200 K CA -1.042 55.364 56.287 0.197 0.000 0.826 200 K CB 2.128 34.790 32.500 0.271 0.000 1.331 200 K HN 0.402 8.652 8.250 -0.000 0.000 0.437 201 D N 1.393 121.865 120.400 0.120 0.000 2.252 201 D HA 0.480 5.119 4.640 -0.001 0.000 0.245 201 D C -1.100 175.190 176.300 -0.017 0.000 1.009 201 D CA -0.629 53.400 54.000 0.049 0.000 0.870 201 D CB 1.214 42.036 40.800 0.037 0.000 1.251 201 D HN 0.561 8.931 8.370 -0.000 0.000 0.460 202 I N 2.203 122.725 120.570 -0.080 0.000 2.466 202 I HA 0.252 4.421 4.170 -0.001 0.000 0.289 202 I C -0.268 175.755 176.117 -0.156 0.000 1.026 202 I CA -0.666 60.512 61.300 -0.203 0.000 1.078 202 I CB 2.202 40.035 38.000 -0.279 0.000 1.249 202 I HN 0.259 8.469 8.210 -0.000 0.000 0.429 203 T N 4.009 118.464 114.554 -0.165 0.000 2.799 203 T HA 0.368 4.718 4.350 -0.001 0.000 0.286 203 T C -0.046 174.576 174.700 -0.130 0.000 0.973 203 T CA -0.245 61.784 62.100 -0.118 0.000 1.035 203 T CB 1.130 69.941 68.868 -0.095 0.000 0.932 203 T HN 0.473 8.713 8.240 -0.000 0.000 0.469 204 T N 2.952 117.450 114.554 -0.092 0.000 2.807 204 T HA 0.527 4.876 4.350 -0.001 0.000 0.279 204 T C -0.330 174.343 174.700 -0.046 0.000 0.993 204 T CA -0.611 61.444 62.100 -0.074 0.000 0.970 204 T CB 1.212 70.041 68.868 -0.064 0.000 0.950 204 T HN 0.456 8.696 8.240 -0.000 0.000 0.441 205 S N 1.928 117.611 115.700 -0.028 0.000 2.473 205 S HA 0.652 5.121 4.470 -0.001 0.000 0.307 205 S C -0.537 174.059 174.600 -0.006 0.000 1.094 205 S CA -0.692 57.497 58.200 -0.019 0.000 1.070 205 S CB 1.489 64.677 63.200 -0.019 0.000 1.019 205 S HN 0.486 8.796 8.310 -0.000 0.000 0.480 206 V N 3.865 123.774 119.914 -0.009 0.000 2.448 206 V HA 0.478 4.598 4.120 -0.001 0.000 0.295 206 V C -0.694 175.395 176.094 -0.008 0.000 1.025 206 V CA -0.713 61.581 62.300 -0.009 0.000 0.859 206 V CB 1.523 33.340 31.823 -0.010 0.000 0.988 206 V HN 0.728 8.918 8.190 -0.000 0.000 0.431 207 L N 5.290 126.511 121.223 -0.003 0.000 2.282 207 L HA 0.721 5.061 4.340 -0.001 0.000 0.288 207 L C 0.054 176.940 176.870 0.027 0.000 1.033 207 L CA 0.651 55.501 54.840 0.018 0.000 0.807 207 L CB 1.809 43.898 42.059 0.049 0.000 1.209 207 L HN 0.718 8.948 8.230 -0.000 0.000 0.423 208 T N 5.050 119.611 114.554 0.010 0.000 2.815 208 T HA 0.564 4.913 4.350 -0.001 0.000 0.289 208 T C -0.800 173.889 174.700 -0.018 0.000 1.000 208 T CA -0.461 61.641 62.100 0.003 0.000 0.958 208 T CB 1.234 70.097 68.868 -0.009 0.000 0.944 208 T HN 0.531 8.771 8.240 -0.000 0.000 0.442 209 V N 1.717 121.605 119.914 -0.043 0.000 2.407 209 V HA 0.522 4.642 4.120 -0.001 0.000 0.291 209 V C 0.156 176.206 176.094 -0.073 0.000 1.018 209 V CA -1.315 60.931 62.300 -0.090 0.000 0.842 209 V CB 0.643 32.354 31.823 -0.187 0.000 0.996 209 V HN 1.053 9.243 8.190 -0.000 0.000 0.426 210 N N 3.247 121.916 118.700 -0.051 0.000 2.684 210 N HA -0.325 4.415 4.740 -0.001 0.000 0.284 210 N C 0.335 175.831 175.510 -0.023 0.000 1.067 210 N CA 1.062 54.092 53.050 -0.034 0.000 0.791 210 N CB -1.528 36.939 38.487 -0.032 0.000 0.934 210 N HN 1.176 9.556 8.380 -0.000 0.000 0.566 211 N N 0.145 118.834 118.700 -0.018 0.000 2.650 211 N HA -0.276 4.464 4.740 -0.001 0.000 0.272 211 N C -1.276 174.234 175.510 0.000 0.000 1.058 211 N CA 1.451 54.496 53.050 -0.009 0.000 0.765 211 N CB -0.363 38.120 38.487 -0.006 0.000 0.902 211 N HN 0.854 9.234 8.380 -0.000 0.000 0.551 212 K N -0.739 119.663 120.400 0.003 0.000 2.589 212 K HA 0.624 4.943 4.320 -0.001 0.000 0.253 212 K C -0.640 175.971 176.600 0.019 0.000 0.974 212 K CA -0.515 55.785 56.287 0.020 0.000 0.835 212 K CB 1.203 33.730 32.500 0.046 0.000 1.272 212 K HN 0.131 8.381 8.250 -0.000 0.000 0.444 213 A N 2.309 125.122 122.820 -0.012 0.000 2.545 213 A HA 0.090 4.410 4.320 -0.001 0.000 0.253 213 A C 0.141 177.667 177.584 -0.097 0.000 1.074 213 A CA 0.404 52.406 52.037 -0.058 0.000 0.760 213 A CB -0.310 18.630 19.000 -0.099 0.000 1.005 213 A HN 0.968 9.118 8.150 -0.000 0.000 0.506 214 H N 1.677 120.630 119.070 -0.195 0.000 3.058 214 H HA 0.554 5.110 4.556 -0.001 0.000 0.258 214 H C -0.067 175.097 175.328 -0.274 0.000 1.015 214 H CA 0.788 56.716 56.048 -0.199 0.000 1.210 214 H CB 0.299 30.025 29.762 -0.059 0.000 1.481 214 H HN 0.694 8.974 8.280 -0.000 0.000 0.492 215 M N 0.540 119.984 119.600 -0.260 0.000 2.484 215 M HA 0.360 4.840 4.480 -0.001 0.000 0.292 215 M C -2.234 174.000 176.300 -0.110 0.000 1.123 215 M CA -0.659 54.501 55.300 -0.233 0.000 0.910 215 M CB 1.599 34.127 32.600 -0.120 0.000 1.782 215 M HN -0.154 8.136 8.290 -0.000 0.000 0.512 216 V N 2.807 122.692 119.914 -0.047 0.000 2.448 216 V HA 0.670 4.790 4.120 -0.001 0.000 0.295 216 V C -0.488 175.699 176.094 0.154 0.000 1.025 216 V CA -0.328 62.011 62.300 0.065 0.000 0.859 216 V CB 2.190 34.097 31.823 0.139 0.000 0.988 216 V HN 0.913 9.103 8.190 -0.000 0.000 0.431 217 T N 6.288 120.899 114.554 0.094 0.000 2.807 217 T HA 0.632 4.981 4.350 -0.001 0.000 0.279 217 T C -0.774 173.950 174.700 0.040 0.000 0.993 217 T CA -0.379 61.772 62.100 0.086 0.000 0.970 217 T CB 1.247 70.127 68.868 0.020 0.000 0.950 217 T HN 0.200 8.440 8.240 -0.000 0.000 0.441 218 L N 3.767 125.020 121.223 0.049 0.000 2.287 218 L HA 0.412 4.751 4.340 -0.001 0.000 0.287 218 L C -0.029 176.664 176.870 -0.296 0.000 1.022 218 L CA -0.336 54.385 54.840 -0.199 0.000 0.814 218 L CB 1.316 43.189 42.059 -0.310 0.000 1.217 218 L HN 0.575 8.805 8.230 -0.000 0.000 0.420 219 D N 3.501 123.712 120.400 -0.314 0.000 2.329 219 D HA 0.205 4.844 4.640 -0.001 0.000 0.232 219 D C -0.855 175.237 176.300 -0.347 0.000 1.088 219 D CA -0.124 53.727 54.000 -0.248 0.000 0.835 219 D CB 0.986 41.706 40.800 -0.134 0.000 1.078 219 D HN 0.261 8.631 8.370 -0.000 0.000 0.495 220 Y N 0.879 120.931 120.300 -0.414 0.000 2.350 220 Y HA 0.179 4.729 4.550 -0.001 0.000 0.340 220 Y C 1.040 176.853 175.900 -0.144 0.000 1.006 220 Y CA -0.250 57.621 58.100 -0.381 0.000 1.166 220 Y CB 1.315 39.264 38.460 -0.853 0.000 1.168 220 Y HN 0.031 8.311 8.280 -0.000 0.000 0.502 221 T N 4.390 119.015 114.554 0.118 0.000 2.801 221 T HA 0.383 4.733 4.350 -0.001 0.000 0.306 221 T C -0.415 174.441 174.700 0.260 0.000 1.020 221 T CA -0.555 61.653 62.100 0.180 0.000 0.948 221 T CB 0.132 69.079 68.868 0.131 0.000 0.962 221 T HN 0.255 8.495 8.240 -0.000 0.000 0.465 222 V N 4.391 124.480 119.914 0.290 0.000 2.407 222 V HA 0.311 4.430 4.120 -0.001 0.000 0.278 222 V C 0.498 176.712 176.094 0.199 0.000 1.037 222 V CA -0.803 61.651 62.300 0.258 0.000 0.900 222 V CB 1.552 33.537 31.823 0.269 0.000 0.983 222 V HN 0.773 8.963 8.190 -0.000 0.000 0.459 223 Q N 3.442 123.306 119.800 0.107 0.000 2.323 223 Q HA 0.321 4.661 4.340 -0.001 0.000 0.257 223 Q C -0.623 175.259 176.000 -0.197 0.000 1.022 223 Q CA -0.174 55.505 55.803 -0.207 0.000 0.919 223 Q CB 1.455 30.145 28.738 -0.079 0.000 1.220 223 Q HN 0.710 8.980 8.270 -0.000 0.000 0.427 224 V N 6.445 126.194 119.914 -0.275 0.000 2.334 224 V HA 0.288 4.407 4.120 -0.001 0.000 0.267 224 V C -2.199 173.803 176.094 -0.153 0.000 1.040 224 V CA -1.928 60.286 62.300 -0.143 0.000 0.866 224 V CB 1.405 33.193 31.823 -0.058 0.000 1.019 224 V HN 0.767 8.957 8.190 -0.000 0.000 0.468 225 P HA 0.008 4.428 4.420 -0.000 0.000 0.220 225 P C 0.944 178.205 177.300 -0.064 0.000 1.144 225 P CA 1.597 64.648 63.100 -0.082 0.000 0.800 225 P CB 0.181 31.854 31.700 -0.045 0.000 0.772 226 G N -2.129 106.639 108.800 -0.054 0.000 4.238 226 G HA2 0.337 4.297 3.960 -0.001 0.000 0.292 226 G HA3 0.337 4.297 3.960 -0.001 0.000 0.292 226 G C 0.920 175.802 174.900 -0.030 0.000 1.036 226 G CA 0.451 45.530 45.100 -0.035 0.000 0.812 226 G HN 0.208 8.498 8.290 -0.000 0.000 0.489 227 A N -0.098 122.695 122.820 -0.045 0.000 2.132 227 A HA 0.575 4.895 4.320 -0.001 0.000 0.213 227 A C 1.635 179.216 177.584 -0.005 0.000 1.154 227 A CA 1.074 53.098 52.037 -0.022 0.000 0.753 227 A CB -0.013 18.972 19.000 -0.024 0.000 0.826 227 A HN 0.514 8.664 8.150 -0.000 0.000 0.469 228 G N -1.195 107.600 108.800 -0.008 0.000 2.531 228 G HA2 0.370 4.329 3.960 -0.001 0.000 0.253 228 G HA3 0.370 4.329 3.960 -0.001 0.000 0.253 228 G C 0.835 175.746 174.900 0.018 0.000 1.439 228 G CA -0.410 44.701 45.100 0.018 0.000 1.056 228 G HN 0.107 8.397 8.290 -0.000 0.000 0.555 229 R N -0.022 120.493 120.500 0.026 0.000 2.104 229 R HA 0.029 4.369 4.340 -0.001 0.000 0.208 229 R C 0.459 176.769 176.300 0.017 0.000 1.168 229 R CA 0.775 56.889 56.100 0.023 0.000 0.950 229 R CB -0.877 29.438 30.300 0.026 0.000 0.778 229 R HN 0.377 8.647 8.270 -0.000 0.000 0.482 230 D N 0.301 120.712 120.400 0.018 0.000 2.896 230 D HA 0.213 4.853 4.640 -0.001 0.000 0.240 230 D C 0.628 176.935 176.300 0.011 0.000 1.193 230 D CA 0.429 54.437 54.000 0.014 0.000 0.983 230 D CB -0.053 40.757 40.800 0.015 0.000 1.074 230 D HN 0.600 8.970 8.370 -0.000 0.000 0.496 231 G N 0.944 109.748 108.800 0.006 0.000 2.189 231 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.267 231 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.267 231 G C 0.762 175.659 174.900 -0.005 0.000 0.975 231 G CA 0.231 45.331 45.100 0.000 0.000 0.644 231 G HN 0.713 9.003 8.290 -0.000 0.000 0.537 232 A N 1.489 124.311 122.820 0.003 0.000 2.555 232 A HA 0.505 4.824 4.320 -0.001 0.000 0.233 232 A C -0.762 176.801 177.584 -0.033 0.000 1.060 232 A CA 0.257 52.296 52.037 0.003 0.000 0.759 232 A CB 0.110 19.127 19.000 0.028 0.000 0.995 232 A HN 0.412 8.562 8.150 -0.000 0.000 0.506 233 P HA 0.237 4.657 4.420 -0.000 0.000 0.271 233 P C 0.129 177.250 177.300 -0.299 0.000 1.216 233 P CA 0.339 63.306 63.100 -0.221 0.000 0.776 233 P CB 0.911 32.423 31.700 -0.313 0.000 0.881 234 G N 1.710 110.327 108.800 -0.305 0.000 2.417 234 G HA2 0.638 4.597 3.960 -0.001 0.000 0.334 234 G HA3 0.638 4.597 3.960 -0.001 0.000 0.334 234 G C -1.603 173.092 174.900 -0.343 0.000 1.150 234 G CA -0.530 44.478 45.100 -0.154 0.000 0.923 234 G HN 0.320 8.610 8.290 -0.000 0.000 0.485 235 F N 0.224 120.206 119.950 0.054 0.000 2.540 235 F HA 0.665 5.192 4.527 -0.001 0.000 0.317 235 F C 0.430 176.275 175.800 0.076 0.000 1.104 235 F CA -0.484 57.556 58.000 0.066 0.000 0.913 235 F CB 2.914 41.949 39.000 0.058 0.000 1.170 235 F HN 0.411 8.711 8.300 -0.000 0.000 0.450 236 S N 1.508 117.387 115.700 0.298 0.000 2.588 236 S HA 0.650 5.119 4.470 -0.001 0.000 0.275 236 S C -1.241 173.511 174.600 0.254 0.000 1.130 236 S CA -1.275 57.066 58.200 0.235 0.000 0.855 236 S CB 2.481 65.792 63.200 0.186 0.000 1.116 236 S HN 0.432 8.742 8.310 -0.000 0.000 0.472 237 K N 0.818 121.352 120.400 0.224 0.000 2.267 237 K HA 0.791 5.110 4.320 -0.001 0.000 0.246 237 K C -1.149 175.637 176.600 0.310 0.000 0.954 237 K CA -0.691 55.724 56.287 0.213 0.000 0.824 237 K CB 1.466 34.039 32.500 0.122 0.000 1.167 237 K HN 0.624 8.874 8.250 -0.000 0.000 0.431 238 F N -1.212 118.819 119.950 0.134 0.000 2.715 238 F HA 0.658 5.184 4.527 -0.001 0.000 0.318 238 F C -1.308 174.587 175.800 0.159 0.000 1.141 238 F CA -1.254 56.810 58.000 0.105 0.000 0.950 238 F CB 1.531 40.585 39.000 0.090 0.000 1.374 238 F HN 0.422 8.722 8.300 -0.000 0.000 0.477 239 R N 1.835 122.413 120.500 0.131 0.000 2.771 239 R HA 0.863 5.202 4.340 -0.001 0.000 0.274 239 R C -2.551 173.819 176.300 0.118 0.000 0.987 239 R CA -0.882 55.233 56.100 0.025 0.000 0.908 239 R CB 2.314 32.626 30.300 0.019 0.000 1.213 239 R HN 0.960 9.230 8.270 -0.000 0.000 0.468 240 L N 1.075 122.361 121.223 0.105 0.000 2.545 240 L HA 0.499 4.839 4.340 -0.001 0.000 0.258 240 L C -1.555 175.275 176.870 -0.066 0.000 0.942 240 L CA -0.089 54.778 54.840 0.046 0.000 0.855 240 L CB 2.692 44.884 42.059 0.221 0.000 1.374 240 L HN 0.703 8.933 8.230 -0.000 0.000 0.411 241 S N 1.826 117.375 115.700 -0.253 0.000 2.621 241 S HA 0.849 5.318 4.470 -0.001 0.000 0.302 241 S C -1.603 172.688 174.600 -0.514 0.000 1.093 241 S CA -0.292 57.771 58.200 -0.228 0.000 1.017 241 S CB 1.372 64.517 63.200 -0.092 0.000 1.077 241 S HN 0.432 8.742 8.310 -0.000 0.000 0.517 242 Y N -0.065 120.286 120.300 0.085 0.000 2.553 242 Y HA 0.424 4.974 4.550 -0.001 0.000 0.347 242 Y C -0.901 174.952 175.900 -0.079 0.000 1.019 242 Y CA -0.990 57.170 58.100 0.101 0.000 1.032 242 Y CB 0.982 39.551 38.460 0.182 0.000 1.284 242 Y HN 0.666 8.946 8.280 -0.000 0.000 0.466 243 Y N 5.459 125.726 120.300 -0.055 0.000 2.327 243 Y HA 0.354 4.904 4.550 -0.001 0.000 0.336 243 Y C -2.261 173.277 175.900 -0.603 0.000 1.035 243 Y CA -2.694 55.226 58.100 -0.300 0.000 1.165 243 Y CB 1.315 39.574 38.460 -0.335 0.000 1.181 243 Y HN 0.245 8.525 8.280 -0.000 0.000 0.494 244 P HA 0.071 4.491 4.420 -0.000 0.000 0.260 244 P C -1.370 175.552 177.300 -0.631 0.000 1.651 244 P CA 0.137 62.500 63.100 -1.228 0.000 1.139 244 P CB -0.436 30.846 31.700 -0.697 0.000 1.756 245 H N 1.340 120.167 119.070 -0.406 0.000 2.800 245 H HA 0.182 4.738 4.556 -0.001 0.000 0.291 245 H C 0.531 175.772 175.328 -0.145 0.000 1.076 245 H CA -0.074 55.898 56.048 -0.126 0.000 1.452 245 H CB 0.250 29.870 29.762 -0.237 0.000 1.461 245 H HN 0.386 8.666 8.280 -0.000 0.000 0.488 246 C N 3.935 123.285 119.300 0.083 0.000 2.534 246 C HA -0.003 4.456 4.460 -0.001 0.000 0.385 246 C C 2.080 177.098 174.990 0.046 0.000 1.264 246 C CA -0.538 58.531 59.018 0.084 0.000 2.342 246 C CB 0.315 28.110 27.740 0.092 0.000 2.564 246 C HN 0.885 9.115 8.230 -0.000 0.000 0.603 247 L N 3.773 125.013 121.223 0.027 0.000 2.012 247 L HA -0.077 4.263 4.340 -0.001 0.000 0.210 247 L C 2.399 179.339 176.870 0.118 0.000 1.073 247 L CA 2.696 57.543 54.840 0.011 0.000 0.748 247 L CB -0.946 40.861 42.059 -0.421 0.000 0.891 247 L HN 0.804 9.034 8.230 -0.000 0.000 0.431 248 A N -0.779 122.086 122.820 0.074 0.000 1.877 248 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 248 A C 2.394 180.039 177.584 0.103 0.000 1.186 248 A CA 2.278 54.370 52.037 0.092 0.000 0.620 248 A CB -1.157 17.885 19.000 0.069 0.000 0.822 248 A HN 0.664 8.814 8.150 -0.000 0.000 0.443 249 S N -1.113 114.656 115.700 0.115 0.000 2.383 249 S HA -0.125 4.344 4.470 -0.001 0.000 0.227 249 S C 1.780 176.454 174.600 0.124 0.000 1.026 249 S CA 1.269 59.539 58.200 0.117 0.000 0.981 249 S CB -0.707 62.582 63.200 0.148 0.000 0.818 249 S HN 0.489 8.799 8.310 -0.000 0.000 0.472 250 F N 2.999 122.945 119.950 -0.006 0.000 2.134 250 F HA -0.084 4.443 4.527 -0.001 0.000 0.299 250 F C 2.526 178.260 175.800 -0.110 0.000 1.097 250 F CA 1.593 59.529 58.000 -0.107 0.000 1.264 250 F CB -0.956 37.883 39.000 -0.269 0.000 1.001 250 F HN 0.122 8.422 8.300 -0.000 0.000 0.479 251 T N 0.059 114.708 114.554 0.159 0.000 2.720 251 T HA -0.251 4.099 4.350 -0.001 0.000 0.268 251 T C 1.949 176.561 174.700 -0.146 0.000 1.037 251 T CA 1.663 63.804 62.100 0.068 0.000 1.144 251 T CB -0.386 68.604 68.868 0.203 0.000 0.864 251 T HN 0.363 8.603 8.240 -0.000 0.000 0.444 252 E N 0.713 120.862 120.200 -0.084 0.000 2.107 252 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 252 E C 2.220 178.725 176.600 -0.158 0.000 0.982 252 E CA 0.839 57.182 56.400 -0.096 0.000 0.809 252 E CB -0.326 29.355 29.700 -0.031 0.000 0.756 252 E HN 0.335 8.694 8.360 -0.000 0.000 0.459 253 L N 0.512 121.598 121.223 -0.229 0.000 2.027 253 L HA -0.103 4.236 4.340 -0.001 0.000 0.206 253 L C 2.664 179.300 176.870 -0.389 0.000 1.074 253 L CA 1.107 55.775 54.840 -0.288 0.000 0.745 253 L CB -0.689 41.165 42.059 -0.342 0.000 0.898 253 L HN 0.037 8.267 8.230 -0.000 0.000 0.433 254 V N -1.117 118.455 119.914 -0.569 0.000 2.548 254 V HA -0.265 3.855 4.120 -0.001 0.000 0.249 254 V C 2.347 178.355 176.094 -0.144 0.000 1.055 254 V CA 1.491 63.519 62.300 -0.453 0.000 1.065 254 V CB -0.060 31.427 31.823 -0.559 0.000 0.681 254 V HN 0.574 8.764 8.190 -0.000 0.000 0.462 255 Q N -0.513 119.184 119.800 -0.173 0.000 2.083 255 Q HA -0.242 4.098 4.340 -0.001 0.000 0.198 255 Q C 2.216 178.224 176.000 0.013 0.000 0.969 255 Q CA 1.764 57.533 55.803 -0.057 0.000 0.838 255 Q CB -0.190 28.480 28.738 -0.114 0.000 0.900 255 Q HN 0.744 9.014 8.270 -0.000 0.000 0.436 256 E N 0.432 120.598 120.200 -0.056 0.000 2.267 256 E HA -0.201 4.148 4.350 -0.001 0.000 0.197 256 E C 1.621 178.185 176.600 -0.059 0.000 0.998 256 E CA 0.880 57.251 56.400 -0.048 0.000 0.830 256 E CB 0.033 29.691 29.700 -0.070 0.000 0.751 256 E HN 0.331 8.691 8.360 -0.000 0.000 0.491 257 A N -0.059 122.702 122.820 -0.097 0.000 2.016 257 A HA -0.023 4.297 4.320 -0.001 0.000 0.217 257 A C 1.390 178.786 177.584 -0.314 0.000 1.162 257 A CA 0.413 52.321 52.037 -0.214 0.000 0.662 257 A CB -0.367 18.437 19.000 -0.327 0.000 0.812 257 A HN 0.305 8.455 8.150 -0.000 0.000 0.450 258 F N 0.135 120.037 119.950 -0.079 0.000 2.731 258 F HA 0.314 4.841 4.527 -0.001 0.000 0.304 258 F C 1.782 177.562 175.800 -0.033 0.000 1.133 258 F CA 0.507 58.480 58.000 -0.045 0.000 1.380 258 F CB -0.202 38.775 39.000 -0.038 0.000 1.079 258 F HN 0.323 8.623 8.300 -0.000 0.000 0.550 259 G N 0.451 109.291 108.800 0.066 0.000 2.258 259 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.274 259 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.274 259 G C 1.399 176.334 174.900 0.059 0.000 1.021 259 G CA 0.289 45.415 45.100 0.044 0.000 0.798 259 G HN 1.096 9.386 8.290 -0.000 0.000 0.507 260 G N -1.028 107.818 108.800 0.076 0.000 2.304 260 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.252 260 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.252 260 G C 0.684 175.620 174.900 0.061 0.000 1.014 260 G CA 0.836 45.967 45.100 0.053 0.000 0.619 260 G HN 1.063 9.353 8.290 -0.000 0.000 0.525 261 R N 1.167 121.723 120.500 0.094 0.000 3.688 261 R HA 0.439 4.778 4.340 -0.001 0.000 0.194 261 R C 0.420 176.750 176.300 0.050 0.000 1.677 261 R CA 0.731 56.877 56.100 0.077 0.000 1.351 261 R CB -0.912 29.443 30.300 0.093 0.000 1.338 261 R HN 0.873 9.143 8.270 -0.000 0.000 0.731 262 C N -1.577 117.707 119.300 -0.026 0.000 3.292 262 C HA 0.374 4.834 4.460 -0.001 0.000 0.338 262 C C -1.173 173.765 174.990 -0.086 0.000 1.323 262 C CA -1.275 57.647 59.018 -0.160 0.000 1.232 262 C CB 1.944 29.414 27.740 -0.450 0.000 1.517 262 C HN 0.553 8.783 8.230 -0.000 0.000 0.470 263 Q N 0.673 120.416 119.800 -0.095 0.000 2.274 263 Q HA 0.620 4.959 4.340 -0.001 0.000 0.260 263 Q C -1.274 174.731 176.000 0.009 0.000 0.974 263 Q CA -0.208 55.584 55.803 -0.020 0.000 0.876 263 Q CB 2.054 30.786 28.738 -0.011 0.000 1.297 263 Q HN 0.838 9.108 8.270 -0.000 0.000 0.446 264 H N -0.025 119.018 119.070 -0.044 0.000 2.667 264 H HA 0.552 5.107 4.556 -0.001 0.000 0.353 264 H C -1.496 173.847 175.328 0.026 0.000 1.072 264 H CA -0.343 55.695 56.048 -0.017 0.000 1.214 264 H CB 1.426 31.191 29.762 0.005 0.000 1.600 264 H HN 0.538 8.818 8.280 -0.000 0.000 0.527 265 S N 3.226 118.698 115.700 -0.381 0.000 2.599 265 S HA 0.542 5.011 4.470 -0.001 0.000 0.287 265 S C -1.122 173.227 174.600 -0.419 0.000 1.105 265 S CA -0.674 57.334 58.200 -0.320 0.000 0.899 265 S CB 1.849 64.997 63.200 -0.088 0.000 1.100 265 S HN 0.685 8.995 8.310 -0.000 0.000 0.482 266 V N 2.547 122.293 119.914 -0.279 0.000 2.531 266 V HA 0.611 4.730 4.120 -0.001 0.000 0.301 266 V C -1.594 174.475 176.094 -0.043 0.000 1.034 266 V CA -0.814 61.330 62.300 -0.261 0.000 0.865 266 V CB 0.984 32.563 31.823 -0.406 0.000 0.995 266 V HN 0.668 8.858 8.190 -0.000 0.000 0.424 267 L N 6.318 127.505 121.223 -0.059 0.000 2.334 267 L HA 0.645 4.985 4.340 -0.001 0.000 0.277 267 L C 1.426 178.241 176.870 -0.091 0.000 1.075 267 L CA 0.906 55.724 54.840 -0.037 0.000 0.804 267 L CB 0.714 42.709 42.059 -0.106 0.000 1.174 267 L HN 0.835 9.065 8.230 -0.000 0.000 0.438 268 G N 1.884 110.680 108.800 -0.007 0.000 2.622 268 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.156 268 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.156 268 G C 0.621 175.368 174.900 -0.255 0.000 1.775 268 G CA 0.336 45.419 45.100 -0.028 0.000 0.928 268 G HN 0.660 8.950 8.290 -0.000 0.000 0.384 269 D N -0.450 119.834 120.400 -0.194 0.000 2.296 269 D HA 0.074 4.714 4.640 -0.001 0.000 0.248 269 D C 2.107 177.943 176.300 -0.774 0.000 1.162 269 D CA 0.723 54.406 54.000 -0.529 0.000 0.956 269 D CB -0.124 40.414 40.800 -0.437 0.000 1.011 269 D HN 0.195 8.565 8.370 -0.000 0.000 0.404 270 F N 0.785 120.541 119.950 -0.324 0.000 2.727 270 F HA 0.247 4.773 4.527 -0.001 0.000 0.302 270 F C 0.733 176.394 175.800 -0.232 0.000 1.097 270 F CA -0.013 57.725 58.000 -0.437 0.000 1.330 270 F CB 0.189 38.910 39.000 -0.465 0.000 1.084 270 F HN -0.394 7.906 8.300 -0.000 0.000 0.578 271 K N 2.074 122.437 120.400 -0.062 0.000 2.098 271 K HA 0.288 4.608 4.320 -0.001 0.000 0.261 271 K C -2.410 174.196 176.600 0.009 0.000 0.987 271 K CA -1.981 54.289 56.287 -0.027 0.000 0.916 271 K CB 0.205 32.638 32.500 -0.111 0.000 1.039 271 K HN -0.211 8.039 8.250 -0.000 0.000 0.455 272 P HA -0.110 4.310 4.420 -0.000 0.000 0.269 272 P C -1.327 176.044 177.300 0.119 0.000 1.217 272 P CA 0.178 63.318 63.100 0.066 0.000 0.783 272 P CB 0.346 32.072 31.700 0.044 0.000 0.898 273 Y N 1.738 122.048 120.300 0.017 0.000 2.393 273 Y HA 0.535 5.085 4.550 -0.001 0.000 0.341 273 Y C -0.386 175.546 175.900 0.053 0.000 0.988 273 Y CA -0.917 57.218 58.100 0.058 0.000 1.078 273 Y CB 1.656 40.187 38.460 0.118 0.000 1.203 273 Y HN 0.248 8.528 8.280 -0.000 0.000 0.453 274 R N 5.401 125.509 120.500 -0.653 0.000 2.686 274 R HA 0.506 4.845 4.340 -0.001 0.000 0.286 274 R C -2.931 172.912 176.300 -0.761 0.000 0.969 274 R CA -2.337 53.452 56.100 -0.518 0.000 0.898 274 R CB 1.071 31.231 30.300 -0.233 0.000 1.183 274 R HN 0.455 8.725 8.270 -0.000 0.000 0.456 275 P HA 0.003 4.423 4.420 -0.000 0.000 0.266 275 P C 0.505 177.731 177.300 -0.124 0.000 1.193 275 P CA 0.999 63.999 63.100 -0.167 0.000 0.770 275 P CB 0.541 32.235 31.700 -0.011 0.000 0.836 276 G N 1.303 110.087 108.800 -0.027 0.000 2.212 276 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.267 276 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.267 276 G C 0.224 175.110 174.900 -0.023 0.000 1.002 276 G CA 0.585 45.687 45.100 0.002 0.000 0.729 276 G HN 0.792 9.082 8.290 -0.000 0.000 0.517 277 Q N -1.198 118.554 119.800 -0.080 0.000 2.386 277 Q HA 0.603 4.943 4.340 -0.001 0.000 0.282 277 Q C 1.646 177.666 176.000 0.033 0.000 1.050 277 Q CA 0.373 56.150 55.803 -0.043 0.000 0.918 277 Q CB 0.810 29.494 28.738 -0.089 0.000 1.266 277 Q HN 0.778 9.048 8.270 -0.000 0.000 0.423 278 A N 2.704 125.552 122.820 0.047 0.000 2.076 278 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 278 A C 0.388 178.029 177.584 0.096 0.000 1.160 278 A CA 0.893 52.969 52.037 0.064 0.000 0.653 278 A CB -0.485 18.549 19.000 0.056 0.000 0.801 278 A HN 0.773 8.923 8.150 -0.000 0.000 0.455 279 Y N 0.196 120.495 120.300 -0.002 0.000 2.327 279 Y HA 0.429 4.978 4.550 -0.001 0.000 0.336 279 Y C 0.035 175.935 175.900 -0.000 0.000 1.035 279 Y CA -1.139 56.951 58.100 -0.017 0.000 1.165 279 Y CB 1.273 39.714 38.460 -0.031 0.000 1.181 279 Y HN 0.146 8.426 8.280 -0.000 0.000 0.494 280 V N 8.550 128.049 119.914 -0.691 0.000 2.333 280 V HA 0.594 4.713 4.120 -0.001 0.000 0.274 280 V C -2.752 172.771 176.094 -0.952 0.000 1.028 280 V CA -2.374 59.580 62.300 -0.576 0.000 0.851 280 V CB 0.538 32.170 31.823 -0.317 0.000 1.000 280 V HN 0.748 8.938 8.190 -0.000 0.000 0.456 281 P HA 0.301 4.721 4.420 -0.000 0.000 0.271 281 P C 0.546 177.400 177.300 -0.743 0.000 1.218 281 P CA -0.256 62.385 63.100 -0.765 0.000 0.780 281 P CB 0.899 32.068 31.700 -0.885 0.000 0.901 282 C N 0.266 119.198 119.300 -0.614 0.000 2.485 282 C HA 0.073 4.533 4.460 -0.001 0.000 0.277 282 C C 0.518 174.992 174.990 -0.859 0.000 1.376 282 C CA 0.635 59.273 59.018 -0.633 0.000 1.759 282 C CB -1.271 26.214 27.740 -0.425 0.000 1.970 282 C HN 0.496 8.726 8.230 -0.000 0.000 0.509 283 Y N -1.696 118.201 120.300 -0.673 0.000 2.457 283 Y HA 0.526 5.076 4.550 -0.001 0.000 0.343 283 Y C -0.531 174.871 175.900 -0.829 0.000 0.994 283 Y CA -0.980 56.761 58.100 -0.598 0.000 1.031 283 Y CB 0.860 39.033 38.460 -0.477 0.000 1.246 283 Y HN -0.055 8.225 8.280 -0.000 0.000 0.449 284 F N 3.947 123.668 119.950 -0.381 0.000 2.404 284 F HA 0.527 5.054 4.527 -0.001 0.000 0.354 284 F C -0.236 175.398 175.800 -0.277 0.000 1.122 284 F CA -0.712 57.021 58.000 -0.445 0.000 1.080 284 F CB 0.753 39.374 39.000 -0.633 0.000 1.131 284 F HN 0.207 8.507 8.300 -0.000 0.000 0.471 285 I N 4.157 124.669 120.570 -0.096 0.000 2.331 285 I HA 0.215 4.385 4.170 -0.001 0.000 0.292 285 I C -0.090 176.074 176.117 0.080 0.000 0.998 285 I CA -0.316 60.997 61.300 0.023 0.000 1.267 285 I CB 0.676 38.605 38.000 -0.119 0.000 1.386 285 I HN 0.481 8.691 8.210 -0.000 0.000 0.476 286 H N 5.578 124.737 119.070 0.148 0.000 2.488 286 H HA 0.401 4.957 4.556 -0.001 0.000 0.322 286 H C -0.606 174.823 175.328 0.168 0.000 1.078 286 H CA -0.692 55.467 56.048 0.185 0.000 1.260 286 H CB 2.332 32.316 29.762 0.371 0.000 1.425 286 H HN 0.404 8.684 8.280 -0.000 0.000 0.471 287 V N 5.219 125.231 119.914 0.164 0.000 2.347 287 V HA 0.342 4.461 4.120 -0.001 0.000 0.280 287 V C -1.016 175.118 176.094 0.066 0.000 1.021 287 V CA -0.599 61.784 62.300 0.138 0.000 0.847 287 V CB 0.944 32.858 31.823 0.152 0.000 0.990 287 V HN 0.509 8.699 8.190 -0.000 0.000 0.444 288 L N 5.997 127.234 121.223 0.023 0.000 2.325 288 L HA 0.574 4.914 4.340 -0.001 0.000 0.281 288 L C -0.084 176.651 176.870 -0.225 0.000 1.004 288 L CA -0.382 54.382 54.840 -0.126 0.000 0.823 288 L CB 1.707 43.590 42.059 -0.294 0.000 1.236 288 L HN 0.844 9.074 8.230 -0.000 0.000 0.415 289 K N 3.960 124.238 120.400 -0.203 0.000 2.248 289 K HA 0.217 4.537 4.320 -0.001 0.000 0.281 289 K C -0.171 176.298 176.600 -0.218 0.000 1.054 289 K CA -0.591 55.596 56.287 -0.165 0.000 0.903 289 K CB 1.247 33.699 32.500 -0.080 0.000 1.077 289 K HN 0.473 8.723 8.250 -0.000 0.000 0.474 290 K N 3.410 123.716 120.400 -0.156 0.000 2.349 290 K HA 0.020 4.340 4.320 -0.001 0.000 0.288 290 K C 0.775 177.382 176.600 0.011 0.000 1.058 290 K CA 0.004 56.251 56.287 -0.067 0.000 0.953 290 K CB 0.810 33.414 32.500 0.175 0.000 0.997 290 K HN 0.782 9.032 8.250 -0.000 0.000 0.477 291 T N 0.825 115.387 114.554 0.013 0.000 2.851 291 T HA 0.191 4.540 4.350 -0.001 0.000 0.262 291 T C 0.933 175.666 174.700 0.054 0.000 1.043 291 T CA 0.437 62.555 62.100 0.031 0.000 1.140 291 T CB 0.044 68.924 68.868 0.019 0.000 0.872 291 T HN 0.633 8.873 8.240 -0.000 0.000 0.446 292 G N 0.000 108.846 108.800 0.077 0.000 5.446 292 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 292 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 292 G CA 0.000 45.142 45.100 0.070 0.000 0.502 292 G HN 0.000 8.290 8.290 -0.000 0.000 0.925