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 1rtq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPPITQQATV TAWLPQVDAS QITGTISSLE SFTNRFYTTT SGAQASDWIA DATA SEQUENCE SEWQALSASL PNASVKQVSH SGYNQKSVVM TITGSEAPDE WIVIGGHLDS DATA SEQUENCE TIGSHTNEQS VAPGADDDAS GIAAVTEVIR VLSENNFQPK RSIAFMAYAA DATA SEQUENCE EEVGLRGSQD LANQYKSEGK NVVSALQLDM TNYKGSAQDV VFITDYTDSN DATA SEQUENCE FTQYLTQLMD EYLPSLTYGF DTcGYAcSDH ASWHNAGYPA AMPFESKFND DATA SEQUENCE YNPRIHTTQD TLANSDPTGS HAKKFTQLGL AYAIEMGSAT G 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 M HA 0.000 4.278 4.480 -0.336 0.000 0.227 1 M C 0.000 176.202 176.300 -0.163 0.000 1.140 1 M CA 0.000 55.138 55.300 -0.271 0.000 0.988 1 M CB 0.000 32.315 32.600 -0.475 0.000 1.302 2 P HA 0.445 4.847 4.420 -0.030 0.000 0.282 2 P C -2.079 175.270 177.300 0.081 0.000 1.259 2 P CA -1.268 61.808 63.100 -0.040 0.000 0.826 2 P CB -0.424 31.247 31.700 -0.049 0.000 1.064 3 P HA 0.071 4.558 4.420 0.110 0.000 0.269 3 P C -0.960 176.416 177.300 0.126 0.000 1.215 3 P CA -0.481 62.677 63.100 0.096 0.000 0.780 3 P CB 0.863 32.593 31.700 0.050 0.000 0.898 4 I N 0.868 121.508 120.570 0.117 0.000 2.436 4 I HA -0.209 4.229 4.170 0.168 -0.167 0.289 4 I C 0.634 176.795 176.117 0.073 0.000 1.083 4 I CA 1.107 62.472 61.300 0.109 0.000 1.372 4 I CB -0.443 37.569 38.000 0.019 0.000 1.408 4 I HN 0.236 8.504 8.210 0.095 0.000 0.516 5 T N 4.585 119.192 114.554 0.089 0.000 3.080 5 T HA 0.297 4.671 4.350 0.040 0.000 0.280 5 T C 0.640 175.367 174.700 0.045 0.000 0.926 5 T CA -0.454 61.676 62.100 0.052 0.000 0.883 5 T CB 1.409 70.296 68.868 0.033 0.000 1.194 5 T HN 0.202 8.903 8.240 0.116 -0.391 0.541 6 Q N 0.234 120.074 119.800 0.067 0.000 2.225 6 Q HA 0.408 4.730 4.340 -0.030 0.000 0.259 6 Q C 0.094 176.093 176.000 -0.002 0.000 0.872 6 Q CA -1.084 54.716 55.803 -0.005 0.000 1.042 6 Q CB -0.641 28.064 28.738 -0.056 0.000 1.142 6 Q HN -0.304 8.464 8.270 0.115 -0.429 0.463 7 Q N 0.209 120.065 119.800 0.092 0.000 2.096 7 Q HA -0.311 4.250 4.340 0.369 0.000 0.204 7 Q C 1.848 177.861 176.000 0.022 0.000 0.982 7 Q CA 4.342 60.249 55.803 0.174 0.000 0.850 7 Q CB -0.796 28.027 28.738 0.142 0.000 0.901 7 Q HN 0.203 8.445 8.270 0.086 0.079 0.422 8 A N -1.750 121.047 122.820 -0.038 0.000 1.883 8 A HA -0.289 4.005 4.320 -0.043 0.000 0.217 8 A C 2.199 179.671 177.584 -0.186 0.000 1.186 8 A CA 2.971 54.963 52.037 -0.076 0.000 0.624 8 A CB -0.861 18.100 19.000 -0.064 0.000 0.822 8 A HN 0.399 8.531 8.150 -0.029 0.000 0.444 9 T N 1.302 115.667 114.554 -0.314 0.000 2.737 9 T HA -0.330 3.574 4.350 -0.743 0.000 0.265 9 T C 2.076 176.351 174.700 -0.709 0.000 1.038 9 T CA 4.227 65.915 62.100 -0.687 0.000 1.144 9 T CB -0.184 68.198 68.868 -0.811 0.000 0.866 9 T HN -0.779 7.309 8.240 -0.253 0.000 0.434 10 V N 1.181 120.795 119.914 -0.500 0.000 2.295 10 V HA -0.424 3.407 4.120 -0.482 0.000 0.246 10 V C 1.752 177.650 176.094 -0.325 0.000 1.049 10 V CA 4.290 66.282 62.300 -0.514 0.000 1.024 10 V CB -0.627 30.639 31.823 -0.928 0.000 0.648 10 V HN -0.111 7.833 8.190 -0.410 0.000 0.447 11 T N -3.689 110.756 114.554 -0.182 0.000 2.962 11 T HA -0.293 4.040 4.350 -0.029 0.000 0.270 11 T C 1.476 176.165 174.700 -0.018 0.000 1.088 11 T CA 2.993 65.066 62.100 -0.044 0.000 1.127 11 T CB -0.269 68.622 68.868 0.038 0.000 0.883 11 T HN -0.163 7.981 8.240 -0.161 0.000 0.493 12 A N 0.586 123.379 122.820 -0.045 0.000 1.935 12 A HA -0.077 4.290 4.320 0.079 0.000 0.214 12 A C 1.103 178.840 177.584 0.256 0.000 1.178 12 A CA 1.943 54.025 52.037 0.076 0.000 0.640 12 A CB 0.022 19.065 19.000 0.071 0.000 0.825 12 A HN -0.516 7.527 8.150 -0.134 0.028 0.447 13 W N -4.440 116.812 121.300 -0.079 0.000 2.630 13 W HA 0.173 4.790 4.660 -0.072 0.000 0.271 13 W C 2.083 178.547 176.519 -0.092 0.000 1.244 13 W CA -0.611 56.679 57.345 -0.091 0.000 1.353 13 W CB 0.039 29.425 29.460 -0.124 0.000 1.080 13 W HN -0.491 7.728 8.180 0.065 0.000 0.594 14 L N 0.187 121.469 121.223 0.098 0.000 2.043 14 L HA -0.267 4.091 4.340 0.030 0.000 0.212 14 L C -0.623 176.268 176.870 0.036 0.000 1.075 14 L CA 5.339 60.197 54.840 0.030 0.000 0.752 14 L CB -2.938 39.106 42.059 -0.026 0.000 0.891 14 L HN -0.207 8.056 8.230 0.054 0.000 0.432 15 P HA -0.112 4.324 4.420 0.027 0.000 0.225 15 P C 0.418 177.734 177.300 0.027 0.000 1.148 15 P CA 1.691 64.812 63.100 0.034 0.000 0.779 15 P CB -0.181 31.542 31.700 0.038 0.000 0.780 16 Q N -4.073 115.744 119.800 0.030 0.000 2.435 16 Q HA -0.130 4.208 4.340 -0.002 0.000 0.207 16 Q C 0.125 176.118 176.000 -0.013 0.000 0.956 16 Q CA 0.391 56.193 55.803 -0.001 0.000 0.917 16 Q CB 0.356 29.075 28.738 -0.032 0.000 0.997 16 Q HN -0.524 7.616 8.270 0.051 0.161 0.497 17 V N 0.969 120.883 119.914 -0.000 0.000 2.617 17 V HA -0.391 3.886 4.120 -0.011 -0.164 0.304 17 V C -1.261 174.836 176.094 0.006 0.000 1.040 17 V CA 1.762 64.062 62.300 -0.000 0.000 1.149 17 V CB 0.293 32.121 31.823 0.009 0.000 0.914 17 V HN -0.849 7.307 8.190 0.011 0.041 0.487 18 D N 6.445 126.848 120.400 0.006 0.000 2.462 18 D HA 0.206 4.853 4.640 0.012 0.000 0.245 18 D C -0.264 176.050 176.300 0.023 0.000 1.122 18 D CA -1.950 52.056 54.000 0.012 0.000 0.864 18 D CB 2.520 43.322 40.800 0.004 0.000 1.098 18 D HN -0.111 8.563 8.370 0.003 -0.302 0.541 19 A N 7.629 130.466 122.820 0.028 0.000 1.986 19 A HA -0.365 3.981 4.320 0.043 0.000 0.220 19 A C 1.021 178.628 177.584 0.038 0.000 1.171 19 A CA 2.825 54.885 52.037 0.037 0.000 0.640 19 A CB -0.347 18.676 19.000 0.038 0.000 0.811 19 A HN 0.742 8.907 8.150 0.025 0.000 0.451 20 S N -2.222 113.497 115.700 0.032 0.000 2.382 20 S HA -0.335 4.155 4.470 0.034 0.000 0.228 20 S C 2.183 176.808 174.600 0.041 0.000 1.027 20 S CA 2.776 60.996 58.200 0.033 0.000 0.991 20 S CB -0.117 63.098 63.200 0.025 0.000 0.823 20 S HN -0.349 8.177 8.310 0.027 -0.200 0.469 21 Q N 0.769 120.593 119.800 0.039 0.000 2.084 21 Q HA -0.289 4.084 4.340 0.055 0.000 0.202 21 Q C 2.549 178.591 176.000 0.071 0.000 0.978 21 Q CA 2.648 58.481 55.803 0.051 0.000 0.844 21 Q CB -0.344 28.414 28.738 0.034 0.000 0.898 21 Q HN -0.649 7.640 8.270 0.032 0.000 0.426 22 I N -0.600 120.009 120.570 0.064 0.000 2.142 22 I HA -0.438 3.786 4.170 0.090 0.000 0.240 22 I C 1.957 178.121 176.117 0.078 0.000 1.078 22 I CA 4.011 65.357 61.300 0.077 0.000 1.343 22 I CB -0.070 37.970 38.000 0.067 0.000 1.046 22 I HN -0.602 7.640 8.210 0.053 0.000 0.405 23 T N -1.974 112.617 114.554 0.062 0.000 2.962 23 T HA -0.281 4.101 4.350 0.054 0.000 0.270 23 T C 2.351 177.086 174.700 0.058 0.000 1.088 23 T CA 4.093 66.226 62.100 0.054 0.000 1.127 23 T CB -0.404 68.490 68.868 0.044 0.000 0.883 23 T HN -0.070 8.205 8.240 0.057 0.000 0.493 24 G N 1.620 110.462 108.800 0.070 0.000 2.446 24 G HA2 -0.323 3.678 3.960 0.069 0.000 0.217 24 G HA3 -0.323 3.692 3.960 0.093 0.000 0.217 24 G C 0.723 175.696 174.900 0.122 0.000 1.168 24 G CA 2.269 47.421 45.100 0.086 0.000 0.771 24 G HN -0.137 8.194 8.290 0.068 0.000 0.551 25 T N 5.078 119.727 114.554 0.159 0.000 2.777 25 T HA -0.411 4.145 4.350 0.344 0.000 0.266 25 T C 2.028 176.794 174.700 0.111 0.000 1.040 25 T CA 4.907 67.145 62.100 0.230 0.000 1.141 25 T CB -0.059 68.968 68.868 0.266 0.000 0.868 25 T HN -0.568 7.757 8.240 0.142 0.000 0.444 26 I N 1.237 121.853 120.570 0.077 0.000 2.179 26 I HA -0.562 3.627 4.170 0.033 0.000 0.242 26 I C 1.578 177.693 176.117 -0.004 0.000 1.088 26 I CA 4.636 65.957 61.300 0.035 0.000 1.357 26 I CB -0.372 37.650 38.000 0.037 0.000 1.051 26 I HN -0.309 7.953 8.210 0.087 0.000 0.409 27 S N -0.178 115.522 115.700 0.000 0.000 2.382 27 S HA -0.357 4.096 4.470 -0.029 0.000 0.228 27 S C 2.625 177.174 174.600 -0.084 0.000 1.027 27 S CA 3.876 62.059 58.200 -0.028 0.000 0.991 27 S CB -0.599 62.596 63.200 -0.009 0.000 0.823 27 S HN -0.225 8.097 8.310 0.021 0.000 0.469 28 S N 3.694 119.330 115.700 -0.106 0.000 2.356 28 S HA -0.210 4.109 4.470 -0.252 0.000 0.223 28 S C 2.439 176.788 174.600 -0.419 0.000 1.032 28 S CA 3.707 61.742 58.200 -0.275 0.000 1.005 28 S CB -0.151 62.892 63.200 -0.262 0.000 0.867 28 S HN -0.582 7.702 8.310 -0.044 0.000 0.449 29 L N 0.374 121.413 121.223 -0.307 0.000 2.083 29 L HA -0.312 3.969 4.340 -0.100 0.000 0.209 29 L C 2.071 178.946 176.870 0.007 0.000 1.083 29 L CA 3.215 57.976 54.840 -0.133 0.000 0.752 29 L CB -0.190 41.826 42.059 -0.072 0.000 0.899 29 L HN -0.129 7.961 8.230 -0.234 0.000 0.433 30 E N -3.182 116.992 120.200 -0.043 0.000 2.418 30 E HA -0.223 4.296 4.350 0.020 -0.157 0.197 30 E C 1.658 178.230 176.600 -0.047 0.000 1.026 30 E CA 1.843 58.234 56.400 -0.015 0.000 0.862 30 E CB -0.416 29.275 29.700 -0.015 0.000 0.799 30 E HN -0.179 8.142 8.360 -0.065 0.000 0.518 31 S N 0.209 115.825 115.700 -0.140 0.000 2.481 31 S HA -0.194 4.191 4.470 -0.142 0.000 0.231 31 S C 0.488 174.931 174.600 -0.261 0.000 0.996 31 S CA 1.478 59.550 58.200 -0.212 0.000 0.942 31 S CB 0.041 63.065 63.200 -0.294 0.000 0.768 31 S HN -0.604 7.550 8.310 -0.174 0.051 0.520 32 F N 2.714 122.579 119.950 -0.140 0.000 2.572 32 F HA -0.065 4.408 4.527 -0.090 0.000 0.370 32 F C 1.466 177.234 175.800 -0.055 0.000 1.103 32 F CA 1.064 59.005 58.000 -0.098 0.000 1.286 32 F CB 0.352 39.290 39.000 -0.103 0.000 1.105 32 F HN -0.807 7.413 8.300 -0.133 0.000 0.583 33 T N 2.714 117.341 114.554 0.122 0.000 2.665 33 T HA -0.368 4.002 4.350 0.033 0.000 0.268 33 T C -0.427 174.321 174.700 0.079 0.000 1.035 33 T CA 3.534 65.674 62.100 0.067 0.000 1.151 33 T CB 0.331 69.231 68.868 0.053 0.000 0.862 33 T HN 0.286 8.606 8.240 0.133 0.000 0.438 34 N N -3.539 115.230 118.700 0.115 0.000 2.853 34 N HA 0.345 5.329 4.740 0.096 -0.186 0.258 34 N C -1.322 174.258 175.510 0.116 0.000 1.444 34 N CA -0.729 52.385 53.050 0.106 0.000 0.837 34 N CB 2.545 41.080 38.487 0.080 0.000 1.489 34 N HN -0.885 7.578 8.380 0.139 0.000 0.529 35 R N -3.488 117.075 120.500 0.105 0.000 2.748 35 R HA 0.326 4.662 4.340 -0.006 0.000 0.395 35 R C -1.356 175.026 176.300 0.136 0.000 1.128 35 R CA -1.268 54.861 56.100 0.047 0.000 1.042 35 R CB 0.147 30.426 30.300 -0.035 0.000 1.392 35 R HN 0.043 8.386 8.270 0.122 0.000 0.582 36 F N 1.710 121.672 119.950 0.019 0.000 2.459 36 F HA -0.054 4.627 4.527 0.068 -0.113 0.346 36 F C 1.185 177.038 175.800 0.089 0.000 1.128 36 F CA -0.389 57.648 58.000 0.061 0.000 1.268 36 F CB 2.358 41.390 39.000 0.053 0.000 1.161 36 F HN -0.494 8.215 8.300 0.297 -0.230 0.583 37 Y N 2.614 122.507 120.300 -0.677 0.000 2.333 37 Y HA -0.315 4.062 4.550 -0.288 0.000 0.290 37 Y C -0.006 175.746 175.900 -0.247 0.000 1.144 37 Y CA 1.688 59.490 58.100 -0.496 0.000 1.228 37 Y CB -0.811 37.168 38.460 -0.802 0.000 0.985 37 Y HN 0.599 8.462 8.280 -0.695 0.000 0.542 38 T N -9.003 105.201 114.554 -0.583 0.000 3.134 38 T HA 0.092 4.231 4.350 -0.352 0.000 0.260 38 T C 0.308 174.972 174.700 -0.061 0.000 1.027 38 T CA -1.396 60.472 62.100 -0.386 0.000 0.913 38 T CB -0.576 67.979 68.868 -0.523 0.000 1.046 38 T HN -0.475 7.392 8.240 -0.551 0.042 0.553 39 T N -0.951 113.631 114.554 0.046 0.000 2.952 39 T HA 0.501 4.983 4.350 0.060 -0.096 0.286 39 T C 0.831 175.561 174.700 0.050 0.000 1.024 39 T CA -2.775 59.370 62.100 0.076 0.000 1.029 39 T CB 3.375 72.321 68.868 0.130 0.000 1.094 39 T HN -0.810 7.463 8.240 0.054 0.000 0.515 40 T N -1.504 113.081 114.554 0.052 0.000 2.788 40 T HA -0.375 3.999 4.350 0.041 0.000 0.268 40 T C 2.026 176.764 174.700 0.063 0.000 1.044 40 T CA 3.957 66.088 62.100 0.051 0.000 1.139 40 T CB -0.151 68.749 68.868 0.053 0.000 0.867 40 T HN 0.267 8.965 8.240 0.053 -0.426 0.454 41 S N 1.907 117.659 115.700 0.086 0.000 2.383 41 S HA -0.241 4.330 4.470 0.169 0.000 0.227 41 S C 2.235 176.811 174.600 -0.040 0.000 1.026 41 S CA 3.080 61.348 58.200 0.114 0.000 0.981 41 S CB -0.839 62.476 63.200 0.191 0.000 0.818 41 S HN -0.019 8.344 8.310 0.087 0.000 0.472 42 G N 0.845 109.639 108.800 -0.010 0.000 2.422 42 G HA2 -0.280 3.622 3.960 -0.097 0.000 0.218 42 G HA3 -0.280 3.934 3.960 0.012 -0.246 0.218 42 G C 0.281 175.140 174.900 -0.068 0.000 1.146 42 G CA 1.702 46.775 45.100 -0.046 0.000 0.769 42 G HN -0.511 7.805 8.290 0.043 0.000 0.547 43 A N 0.912 123.719 122.820 -0.022 0.000 1.897 43 A HA -0.344 3.981 4.320 0.008 0.000 0.215 43 A C 1.384 178.947 177.584 -0.036 0.000 1.181 43 A CA 2.620 54.654 52.037 -0.005 0.000 0.620 43 A CB -0.517 18.496 19.000 0.022 0.000 0.821 43 A HN -0.532 7.618 8.150 -0.001 0.000 0.443 44 Q N -0.239 119.539 119.800 -0.036 0.000 2.167 44 Q HA -0.274 4.100 4.340 0.056 0.000 0.202 44 Q C 1.930 177.834 176.000 -0.161 0.000 0.970 44 Q CA 2.286 58.095 55.803 0.009 0.000 0.855 44 Q CB -0.385 28.461 28.738 0.179 0.000 0.911 44 Q HN -0.298 7.960 8.270 -0.019 0.000 0.438 45 A N -1.097 121.370 122.820 -0.590 0.000 1.930 45 A HA -0.245 3.327 4.320 -1.247 0.000 0.217 45 A C 1.962 179.397 177.584 -0.248 0.000 1.175 45 A CA 3.103 54.615 52.037 -0.875 0.000 0.627 45 A CB -1.128 17.252 19.000 -1.034 0.000 0.815 45 A HN -0.159 7.654 8.150 -0.529 0.019 0.443 46 S N -1.559 114.046 115.700 -0.157 0.000 2.359 46 S HA -0.345 4.062 4.470 -0.106 0.000 0.224 46 S C 1.842 176.411 174.600 -0.052 0.000 1.035 46 S CA 3.688 61.837 58.200 -0.084 0.000 1.018 46 S CB -0.458 62.722 63.200 -0.034 0.000 0.876 46 S HN -0.691 7.518 8.310 -0.170 0.000 0.448 47 D N 1.910 122.306 120.400 -0.006 0.000 2.123 47 D HA -0.259 4.380 4.640 -0.002 0.000 0.196 47 D C 2.077 178.415 176.300 0.063 0.000 0.992 47 D CA 3.394 57.410 54.000 0.028 0.000 0.833 47 D CB -0.559 40.278 40.800 0.061 0.000 0.954 47 D HN -0.720 7.643 8.370 -0.011 0.000 0.455 48 W N 1.115 122.389 121.300 -0.043 0.000 2.355 48 W HA -0.430 4.262 4.660 0.054 0.000 0.309 48 W C 1.563 178.039 176.519 -0.073 0.000 1.206 48 W CA 4.832 62.191 57.345 0.024 0.000 1.284 48 W CB 0.156 29.734 29.460 0.198 0.000 1.145 48 W HN -0.392 7.841 8.180 0.250 0.097 0.502 49 I N -1.415 119.197 120.570 0.070 0.000 2.226 49 I HA -0.658 3.316 4.170 -0.326 0.000 0.245 49 I C 1.828 177.624 176.117 -0.535 0.000 1.100 49 I CA 4.231 65.336 61.300 -0.326 0.000 1.374 49 I CB -0.386 37.364 38.000 -0.418 0.000 1.057 49 I HN -0.353 7.952 8.210 0.159 0.000 0.413 50 A N -0.295 122.331 122.820 -0.323 0.000 1.908 50 A HA -0.436 3.768 4.320 -0.193 0.000 0.218 50 A C 2.072 179.579 177.584 -0.128 0.000 1.181 50 A CA 3.473 55.396 52.037 -0.190 0.000 0.627 50 A CB -0.940 18.006 19.000 -0.091 0.000 0.818 50 A HN -0.019 7.987 8.150 -0.240 0.000 0.445 51 S N -1.073 114.525 115.700 -0.170 0.000 2.368 51 S HA -0.346 4.063 4.470 -0.102 0.000 0.225 51 S C 2.418 176.891 174.600 -0.212 0.000 1.030 51 S CA 3.914 62.012 58.200 -0.170 0.000 0.999 51 S CB -0.362 62.718 63.200 -0.200 0.000 0.844 51 S HN -0.230 7.976 8.310 -0.174 0.000 0.459 52 E N 2.883 122.863 120.200 -0.366 0.000 2.051 52 E HA -0.248 3.918 4.350 -0.307 0.000 0.192 52 E C 2.282 178.903 176.600 0.034 0.000 0.991 52 E CA 3.323 59.548 56.400 -0.292 0.000 0.799 52 E CB -0.270 29.123 29.700 -0.511 0.000 0.748 52 E HN -0.500 7.566 8.360 -0.490 0.000 0.449 53 W N -2.217 118.979 121.300 -0.173 0.000 2.388 53 W HA -0.173 4.401 4.660 -0.144 0.000 0.294 53 W C 2.703 179.159 176.519 -0.105 0.000 1.212 53 W CA 1.684 58.953 57.345 -0.127 0.000 1.271 53 W CB -0.772 28.637 29.460 -0.087 0.000 1.126 53 W HN 0.097 8.313 8.180 0.060 0.000 0.535 54 Q N 0.961 120.836 119.800 0.125 0.000 2.061 54 Q HA -0.361 4.019 4.340 0.068 0.000 0.204 54 Q C 2.085 178.092 176.000 0.011 0.000 0.984 54 Q CA 2.691 58.526 55.803 0.053 0.000 0.846 54 Q CB -0.640 28.113 28.738 0.025 0.000 0.902 54 Q HN -0.091 8.244 8.270 0.109 0.000 0.421 55 A N -1.784 121.027 122.820 -0.015 0.000 1.933 55 A HA -0.199 4.103 4.320 -0.030 0.000 0.218 55 A C 2.932 180.494 177.584 -0.037 0.000 1.175 55 A CA 2.614 54.631 52.037 -0.034 0.000 0.628 55 A CB -0.813 18.151 19.000 -0.059 0.000 0.814 55 A HN -0.546 7.591 8.150 -0.022 0.000 0.444 56 L N -3.639 117.561 121.223 -0.038 0.000 2.093 56 L HA -0.245 4.052 4.340 -0.072 0.000 0.208 56 L C 1.572 178.392 176.870 -0.082 0.000 1.085 56 L CA 2.534 57.331 54.840 -0.072 0.000 0.755 56 L CB 0.071 42.066 42.059 -0.108 0.000 0.904 56 L HN -0.489 7.730 8.230 -0.018 0.000 0.435 57 S N -5.218 110.443 115.700 -0.065 0.000 2.577 57 S HA 0.073 4.497 4.470 -0.077 0.000 0.219 57 S C 1.000 175.585 174.600 -0.027 0.000 0.962 57 S CA 0.047 58.211 58.200 -0.059 0.000 0.921 57 S CB 0.345 63.507 63.200 -0.063 0.000 0.789 57 S HN -0.497 7.767 8.310 -0.043 0.020 0.497 58 A N 3.895 126.702 122.820 -0.022 0.000 1.978 58 A HA -0.214 4.104 4.320 -0.004 0.000 0.220 58 A C 0.868 178.444 177.584 -0.014 0.000 1.170 58 A CA 2.387 54.417 52.037 -0.013 0.000 0.636 58 A CB -0.419 18.572 19.000 -0.015 0.000 0.810 58 A HN -0.750 7.317 8.150 -0.028 0.066 0.448 59 S N -3.201 112.486 115.700 -0.023 0.000 2.556 59 S HA 0.033 4.493 4.470 -0.016 0.000 0.216 59 S C -0.206 174.382 174.600 -0.019 0.000 0.970 59 S CA 0.541 58.728 58.200 -0.021 0.000 0.912 59 S CB 0.443 63.627 63.200 -0.027 0.000 0.790 59 S HN 0.010 8.276 8.310 -0.031 0.025 0.504 60 L N 4.965 126.177 121.223 -0.018 0.000 2.315 60 L HA 0.389 4.722 4.340 -0.012 0.000 0.283 60 L C -2.201 174.667 176.870 -0.003 0.000 1.089 60 L CA -2.443 52.391 54.840 -0.011 0.000 0.833 60 L CB 0.661 42.715 42.059 -0.008 0.000 1.170 60 L HN -0.724 7.328 8.230 -0.021 0.165 0.442 61 P HA -0.015 4.403 4.420 -0.004 0.000 0.265 61 P C -1.123 176.172 177.300 -0.008 0.000 1.187 61 P CA 0.596 63.692 63.100 -0.007 0.000 0.766 61 P CB 0.454 32.145 31.700 -0.014 0.000 0.820 62 N N -4.845 113.853 118.700 -0.003 0.000 2.882 62 N HA -0.409 4.332 4.740 0.002 0.000 0.249 62 N C -1.595 173.929 175.510 0.025 0.000 1.079 62 N CA 1.327 54.376 53.050 -0.002 0.000 0.800 62 N CB -0.951 37.515 38.487 -0.034 0.000 1.124 62 N HN 0.385 8.766 8.380 0.001 0.000 0.557 63 A N -1.887 120.957 122.820 0.039 0.000 2.355 63 A HA 0.915 5.527 4.320 0.096 -0.235 0.324 63 A C -1.331 176.300 177.584 0.078 0.000 1.117 63 A CA -1.374 50.705 52.037 0.071 0.000 0.785 63 A CB 2.998 22.032 19.000 0.057 0.000 1.254 63 A HN -0.790 7.344 8.150 0.029 0.033 0.453 64 S N 1.714 117.483 115.700 0.114 0.000 2.540 64 S HA 0.306 4.831 4.470 0.091 0.000 0.275 64 S C -1.590 173.100 174.600 0.150 0.000 1.123 64 S CA -0.861 57.408 58.200 0.115 0.000 0.907 64 S CB 2.367 65.636 63.200 0.116 0.000 1.081 64 S HN 0.236 8.631 8.310 0.142 0.000 0.476 65 V N 5.779 125.775 119.914 0.135 0.000 2.448 65 V HA 0.459 4.867 4.120 0.219 -0.156 0.295 65 V C -0.727 175.443 176.094 0.127 0.000 1.025 65 V CA -1.117 61.284 62.300 0.168 0.000 0.859 65 V CB 1.852 33.778 31.823 0.171 0.000 0.988 65 V HN 0.555 8.809 8.190 0.108 0.000 0.431 66 K N 7.016 127.499 120.400 0.139 0.000 2.443 66 K HA 0.454 4.816 4.320 0.071 0.000 0.251 66 K C -2.020 174.627 176.600 0.079 0.000 0.972 66 K CA -1.932 54.411 56.287 0.093 0.000 0.833 66 K CB 4.101 36.655 32.500 0.091 0.000 1.317 66 K HN 0.598 8.956 8.250 0.179 0.000 0.441 67 Q N 0.820 120.643 119.800 0.038 0.000 2.330 67 Q HA 0.696 5.255 4.340 0.030 -0.201 0.269 67 Q C -0.552 175.438 176.000 -0.017 0.000 1.022 67 Q CA -1.233 54.580 55.803 0.016 0.000 0.796 67 Q CB 2.412 31.150 28.738 0.000 0.000 1.271 67 Q HN 0.295 8.584 8.270 0.030 0.000 0.450 68 V N 6.569 126.459 119.914 -0.041 0.000 2.407 68 V HA 0.139 4.183 4.120 -0.126 0.000 0.278 68 V C -0.999 174.884 176.094 -0.352 0.000 1.037 68 V CA -1.362 60.843 62.300 -0.159 0.000 0.900 68 V CB 0.590 32.333 31.823 -0.134 0.000 0.983 68 V HN 0.781 8.970 8.190 -0.002 0.000 0.459 69 S N 6.987 122.490 115.700 -0.329 0.000 2.592 69 S HA 0.059 4.352 4.470 -0.296 0.000 0.271 69 S C -0.650 173.591 174.600 -0.599 0.000 1.326 69 S CA 0.784 58.771 58.200 -0.354 0.000 1.024 69 S CB 1.065 64.153 63.200 -0.186 0.000 0.921 69 S HN 0.454 8.624 8.310 -0.234 0.000 0.527 70 H N 3.348 122.268 119.070 -0.250 0.000 2.690 70 H HA 0.301 4.723 4.556 -0.224 0.000 0.368 70 H C -0.133 174.921 175.328 -0.457 0.000 1.150 70 H CA -1.006 54.818 56.048 -0.374 0.000 1.174 70 H CB 2.887 32.293 29.762 -0.594 0.000 1.684 70 H HN 0.449 8.549 8.280 -0.299 0.000 0.538 71 S N 1.876 117.472 115.700 -0.172 0.000 2.537 71 S HA -0.200 4.198 4.470 -0.120 0.000 0.286 71 S C 0.951 175.461 174.600 -0.150 0.000 1.299 71 S CA 1.228 59.352 58.200 -0.127 0.000 1.067 71 S CB 0.470 63.648 63.200 -0.037 0.000 0.864 71 S HN 0.635 8.896 8.310 -0.083 0.000 0.494 72 G N 5.508 114.257 108.800 -0.084 0.000 2.195 72 G HA2 -0.214 3.763 3.960 0.029 0.000 0.246 72 G HA3 -0.214 3.810 3.960 0.107 0.000 0.246 72 G C -1.202 173.763 174.900 0.109 0.000 0.984 72 G CA -0.065 45.056 45.100 0.035 0.000 0.633 72 G HN 0.552 8.789 8.290 -0.087 0.000 0.525 73 Y N -4.660 115.651 120.300 0.017 0.000 2.638 73 Y HA 0.287 4.775 4.550 -0.103 0.000 0.335 73 Y C -2.068 173.831 175.900 -0.003 0.000 1.155 73 Y CA -1.842 56.230 58.100 -0.047 0.000 1.046 73 Y CB 0.784 39.192 38.460 -0.086 0.000 1.303 73 Y HN -1.018 7.003 8.280 -0.324 0.064 0.460 74 N N -1.172 117.608 118.700 0.133 0.000 2.405 74 N HA 0.041 4.788 4.740 0.012 0.000 0.175 74 N C 0.009 175.593 175.510 0.125 0.000 1.051 74 N CA 0.470 53.559 53.050 0.066 0.000 0.899 74 N CB 1.049 39.556 38.487 0.033 0.000 1.000 74 N HN 0.450 8.916 8.380 0.142 0.000 0.451 75 Q N 1.904 121.865 119.800 0.269 0.000 2.313 75 Q HA -0.093 4.331 4.340 0.140 0.000 0.266 75 Q C -1.459 174.728 176.000 0.311 0.000 0.989 75 Q CA 0.643 56.592 55.803 0.244 0.000 0.890 75 Q CB 0.700 29.579 28.738 0.235 0.000 1.200 75 Q HN -0.674 7.824 8.270 0.380 0.000 0.396 76 K N 5.198 125.710 120.400 0.188 0.000 2.138 76 K HA 0.456 5.021 4.320 0.227 -0.109 0.263 76 K C -0.609 176.115 176.600 0.207 0.000 0.965 76 K CA -1.401 54.989 56.287 0.173 0.000 0.868 76 K CB 1.998 34.524 32.500 0.043 0.000 1.083 76 K HN 0.080 8.405 8.250 0.124 0.000 0.443 77 S N 2.810 118.697 115.700 0.311 0.000 2.580 77 S HA 0.142 4.871 4.470 0.208 -0.134 0.274 77 S C -0.599 174.065 174.600 0.107 0.000 1.329 77 S CA 0.136 58.489 58.200 0.255 0.000 1.036 77 S CB 0.999 64.454 63.200 0.426 0.000 0.919 77 S HN -0.094 8.446 8.310 0.383 0.000 0.515 78 V N 3.749 123.681 119.914 0.031 0.000 2.427 78 V HA 0.442 4.738 4.120 0.030 -0.159 0.286 78 V C -1.057 175.137 176.094 0.167 0.000 1.034 78 V CA -1.235 61.065 62.300 0.001 0.000 0.893 78 V CB 0.713 32.374 31.823 -0.270 0.000 0.982 78 V HN 0.326 8.519 8.190 0.004 0.000 0.452 79 V N 6.882 126.945 119.914 0.249 0.000 2.482 79 V HA 0.584 5.136 4.120 0.400 -0.192 0.295 79 V C -1.725 174.605 176.094 0.393 0.000 1.026 79 V CA -1.669 60.834 62.300 0.337 0.000 0.856 79 V CB 3.169 35.148 31.823 0.259 0.000 1.001 79 V HN 0.757 9.067 8.190 0.200 0.000 0.424 80 M N 9.304 129.198 119.600 0.490 0.000 2.300 80 M HA 0.916 5.802 4.480 0.337 -0.204 0.348 80 M C -1.791 174.773 176.300 0.441 0.000 1.151 80 M CA -1.423 54.117 55.300 0.400 0.000 1.046 80 M CB 3.433 36.191 32.600 0.263 0.000 1.647 80 M HN 0.536 9.170 8.290 0.572 0.000 0.451 81 T N 2.573 117.346 114.554 0.365 0.000 2.908 81 T HA 1.044 5.861 4.350 0.438 -0.204 0.290 81 T C -0.936 173.936 174.700 0.287 0.000 1.034 81 T CA -2.559 59.776 62.100 0.390 0.000 1.010 81 T CB 3.076 72.215 68.868 0.453 0.000 1.068 81 T HN 0.552 8.973 8.240 0.301 0.000 0.481 82 I N 2.304 123.005 120.570 0.220 0.000 2.418 82 I HA 0.577 5.010 4.170 0.090 -0.209 0.287 82 I C -0.497 175.580 176.117 -0.067 0.000 1.008 82 I CA -1.497 59.858 61.300 0.091 0.000 1.104 82 I CB 2.906 40.973 38.000 0.111 0.000 1.264 82 I HN 0.453 8.795 8.210 0.220 0.000 0.438 83 T N 9.742 124.248 114.554 -0.080 0.000 2.851 83 T HA -0.035 4.161 4.350 -0.257 0.000 0.298 83 T C 0.548 175.112 174.700 -0.227 0.000 0.977 83 T CA 0.560 62.557 62.100 -0.171 0.000 1.126 83 T CB 0.558 69.375 68.868 -0.085 0.000 0.916 83 T HN -0.017 8.204 8.240 -0.032 0.000 0.529 84 G N 3.365 111.975 108.800 -0.316 0.000 2.432 84 G HA2 -0.056 3.958 3.960 -0.293 0.000 0.239 84 G HA3 -0.056 3.781 3.960 -0.320 -0.069 0.239 84 G C -0.463 174.316 174.900 -0.203 0.000 1.291 84 G CA -0.614 44.314 45.100 -0.287 0.000 0.863 84 G HN -0.159 7.887 8.290 -0.406 0.000 0.560 85 S N 3.969 119.561 115.700 -0.180 0.000 2.470 85 S HA -0.108 4.292 4.470 -0.116 0.000 0.225 85 S C 0.556 175.090 174.600 -0.110 0.000 1.006 85 S CA 1.490 59.612 58.200 -0.130 0.000 0.934 85 S CB 0.995 64.124 63.200 -0.120 0.000 0.778 85 S HN -0.024 8.166 8.310 -0.201 0.000 0.517 86 E N 0.037 120.164 120.200 -0.122 0.000 2.441 86 E HA 0.157 4.457 4.350 -0.082 0.000 0.207 86 E C -0.764 175.775 176.600 -0.101 0.000 0.803 86 E CA 0.660 57.002 56.400 -0.097 0.000 1.240 86 E CB 2.394 32.042 29.700 -0.087 0.000 1.233 86 E HN -0.499 7.729 8.360 -0.146 0.045 0.590 87 A N 0.609 123.350 122.820 -0.132 0.000 3.248 87 A HA 0.650 4.906 4.320 -0.106 0.000 0.315 87 A C -1.912 175.552 177.584 -0.200 0.000 0.974 87 A CA -2.947 49.009 52.037 -0.135 0.000 0.939 87 A CB 0.110 19.037 19.000 -0.122 0.000 1.061 87 A HN -0.032 8.027 8.150 -0.152 0.000 0.481 88 P HA -0.015 4.173 4.420 -0.387 0.000 0.225 88 P C -0.725 176.371 177.300 -0.340 0.000 1.148 88 P CA 1.272 64.196 63.100 -0.293 0.000 0.779 88 P CB -0.065 31.525 31.700 -0.182 0.000 0.780 89 D N -5.030 115.273 120.400 -0.162 0.000 2.349 89 D HA -0.160 4.536 4.640 0.093 0.000 0.224 89 D C -0.582 175.722 176.300 0.006 0.000 1.029 89 D CA 0.291 54.281 54.000 -0.016 0.000 0.879 89 D CB -1.095 39.723 40.800 0.030 0.000 0.906 89 D HN 0.228 8.476 8.370 -0.128 0.046 0.528 90 E N -0.217 119.884 120.200 -0.165 0.000 2.156 90 E HA 0.365 4.874 4.350 0.040 -0.135 0.279 90 E C -1.639 174.796 176.600 -0.274 0.000 0.965 90 E CA -0.922 55.417 56.400 -0.103 0.000 0.789 90 E CB 1.758 31.394 29.700 -0.106 0.000 1.098 90 E HN -0.713 7.439 8.360 -0.242 0.063 0.397 91 W N 3.838 125.094 121.300 -0.072 0.000 2.632 91 W HA 0.335 5.132 4.660 -0.081 -0.186 0.328 91 W C -0.914 175.507 176.519 -0.163 0.000 1.044 91 W CA -1.276 56.017 57.345 -0.086 0.000 1.225 91 W CB 2.787 32.245 29.460 -0.005 0.000 1.396 91 W HN 0.746 9.058 8.180 0.219 0.000 0.499 92 I N 2.393 122.965 120.570 0.004 0.000 2.339 92 I HA 0.360 4.456 4.170 -0.124 0.000 0.290 92 I C -1.284 174.778 176.117 -0.092 0.000 0.994 92 I CA -2.505 58.726 61.300 -0.115 0.000 1.191 92 I CB 0.437 38.286 38.000 -0.253 0.000 1.343 92 I HN 0.513 8.711 8.210 -0.020 0.000 0.458 93 V N 7.594 127.436 119.914 -0.120 0.000 2.581 93 V HA 0.802 5.010 4.120 -0.185 -0.200 0.303 93 V C -1.376 174.716 176.094 -0.003 0.000 1.041 93 V CA -1.898 60.283 62.300 -0.199 0.000 0.907 93 V CB 2.903 34.366 31.823 -0.599 0.000 0.994 93 V HN 0.395 8.520 8.190 -0.109 0.000 0.442 94 I N 5.595 126.162 120.570 -0.005 0.000 2.686 94 I HA 0.872 5.323 4.170 0.150 -0.191 0.295 94 I C -2.328 173.873 176.117 0.140 0.000 1.114 94 I CA -2.578 58.799 61.300 0.129 0.000 1.038 94 I CB 4.102 42.233 38.000 0.219 0.000 1.238 94 I HN 0.416 8.567 8.210 -0.100 0.000 0.420 95 G N 4.545 113.470 108.800 0.209 0.000 2.608 95 G HA2 0.678 4.862 3.960 0.175 0.000 0.291 95 G HA3 0.678 4.724 3.960 0.147 0.002 0.291 95 G C -3.128 171.942 174.900 0.284 0.000 1.425 95 G CA -0.012 45.209 45.100 0.202 0.000 0.787 95 G HN 0.179 8.601 8.290 0.219 0.000 0.484 96 G N -3.371 105.573 108.800 0.241 0.000 2.687 96 G HA2 0.861 5.114 3.960 0.391 0.000 0.291 96 G HA3 0.861 4.999 3.960 0.205 -0.055 0.291 96 G C -2.912 172.191 174.900 0.339 0.000 1.420 96 G CA -0.337 44.943 45.100 0.299 0.000 0.796 96 G HN -0.237 8.132 8.290 0.132 0.000 0.485 97 H N -2.219 117.013 119.070 0.270 0.000 2.479 97 H HA 0.420 5.324 4.556 0.272 -0.184 0.335 97 H C 0.177 175.576 175.328 0.117 0.000 1.142 97 H CA -1.935 54.249 56.048 0.228 0.000 1.234 97 H CB 2.398 32.276 29.762 0.195 0.000 1.503 97 H HN -0.248 8.374 8.280 0.168 -0.241 0.510 98 L N -5.694 115.624 121.223 0.159 0.000 2.554 98 L HA 0.327 4.663 4.340 -0.008 0.000 0.225 98 L C -0.185 176.725 176.870 0.067 0.000 1.104 98 L CA -0.165 54.702 54.840 0.045 0.000 0.866 98 L CB -0.115 41.938 42.059 -0.009 0.000 1.047 98 L HN 0.060 8.423 8.230 0.222 0.000 0.468 99 D N -0.881 119.634 120.400 0.191 0.000 2.348 99 D HA 0.276 5.141 4.640 0.081 -0.176 0.249 99 D C -0.196 176.229 176.300 0.209 0.000 1.110 99 D CA -1.697 52.390 54.000 0.146 0.000 0.967 99 D CB 1.405 42.239 40.800 0.057 0.000 1.139 99 D HN -0.550 7.998 8.370 0.296 0.000 0.466 100 S N -3.785 112.016 115.700 0.168 0.000 2.627 100 S HA 0.311 4.892 4.470 0.185 0.000 0.283 100 S C -1.374 173.349 174.600 0.205 0.000 1.127 100 S CA -1.077 57.223 58.200 0.166 0.000 0.863 100 S CB 2.788 66.059 63.200 0.117 0.000 1.121 100 S HN -0.410 7.875 8.310 0.161 0.122 0.479 101 T N -0.372 114.237 114.554 0.091 0.000 2.853 101 T HA 0.300 4.682 4.350 0.053 0.000 0.311 101 T C -1.144 173.512 174.700 -0.073 0.000 1.307 101 T CA -1.432 60.677 62.100 0.014 0.000 1.019 101 T CB 1.776 70.623 68.868 -0.035 0.000 1.264 101 T HN 0.141 8.418 8.240 0.062 0.000 0.497 102 I N -1.367 119.136 120.570 -0.112 0.000 3.974 102 I HA 0.578 4.810 4.170 0.004 -0.060 0.334 102 I C -0.352 175.727 176.117 -0.064 0.000 1.437 102 I CA -1.887 59.379 61.300 -0.055 0.000 1.113 102 I CB 1.138 39.114 38.000 -0.039 0.000 1.063 102 I HN -0.122 7.980 8.210 -0.180 0.000 0.400 103 G N 0.871 109.599 108.800 -0.120 0.000 2.343 103 G HA2 -0.163 3.755 3.960 -0.070 0.000 0.562 103 G HA3 -0.163 3.772 3.960 -0.041 0.000 0.562 103 G C -0.825 174.006 174.900 -0.115 0.000 1.269 103 G CA -0.680 44.372 45.100 -0.081 0.000 1.011 103 G HN -0.500 7.629 8.290 -0.160 0.065 0.498 104 S N -0.603 115.042 115.700 -0.091 0.000 2.440 104 S HA -0.258 4.133 4.470 -0.132 0.000 0.240 104 S C -0.070 174.370 174.600 -0.266 0.000 1.014 104 S CA 1.956 60.048 58.200 -0.179 0.000 0.980 104 S CB -0.202 62.875 63.200 -0.205 0.000 0.775 104 S HN 0.300 8.572 8.310 -0.063 0.000 0.499 105 H N -0.500 118.509 119.070 -0.101 0.000 2.537 105 H HA 0.214 4.706 4.556 -0.107 0.000 0.295 105 H C -0.606 174.590 175.328 -0.220 0.000 1.054 105 H CA -0.913 55.063 56.048 -0.120 0.000 1.156 105 H CB -0.394 29.328 29.762 -0.067 0.000 1.468 105 H HN -0.205 8.059 8.280 -0.012 0.008 0.551 106 T N 3.341 117.683 114.554 -0.353 0.000 2.902 106 T HA -0.328 3.800 4.350 -0.369 0.000 0.301 106 T C -0.922 173.480 174.700 -0.495 0.000 1.012 106 T CA 2.480 64.224 62.100 -0.592 0.000 1.151 106 T CB 0.523 68.627 68.868 -1.274 0.000 0.946 106 T HN -0.558 7.368 8.240 -0.399 0.074 0.542 107 N N 4.431 122.979 118.700 -0.252 0.000 3.229 107 N HA 0.162 4.863 4.740 -0.065 0.000 0.315 107 N C 0.284 175.769 175.510 -0.042 0.000 1.520 107 N CA -1.466 51.528 53.050 -0.093 0.000 0.769 107 N CB 1.000 39.466 38.487 -0.036 0.000 1.766 107 N HN 0.028 8.274 8.380 -0.224 0.000 0.618 108 E N -0.895 119.307 120.200 0.004 0.000 2.097 108 E HA -0.349 4.028 4.350 0.045 0.000 0.196 108 E C 0.440 177.049 176.600 0.015 0.000 1.000 108 E CA 3.254 59.669 56.400 0.025 0.000 0.804 108 E CB -0.134 29.581 29.700 0.026 0.000 0.740 108 E HN 0.502 8.867 8.360 0.007 0.000 0.454 109 Q N -4.873 114.926 119.800 -0.002 0.000 2.360 109 Q HA 0.120 4.463 4.340 0.005 0.000 0.202 109 Q C 0.873 176.865 176.000 -0.014 0.000 0.915 109 Q CA -0.634 55.166 55.803 -0.004 0.000 0.943 109 Q CB -0.012 28.721 28.738 -0.008 0.000 1.064 109 Q HN -0.678 7.756 8.270 -0.009 -0.169 0.511 110 S N 1.921 117.602 115.700 -0.033 0.000 2.549 110 S HA -0.123 4.322 4.470 -0.042 0.000 0.286 110 S C -0.582 174.004 174.600 -0.024 0.000 1.314 110 S CA 1.184 59.356 58.200 -0.047 0.000 1.062 110 S CB 0.669 63.807 63.200 -0.102 0.000 0.865 110 S HN -0.506 7.724 8.310 -0.040 0.056 0.498 111 V N 4.283 124.186 119.914 -0.018 0.000 2.334 111 V HA 0.014 4.315 4.120 0.006 -0.178 0.267 111 V C -1.276 174.819 176.094 0.001 0.000 1.040 111 V CA -0.562 61.736 62.300 -0.003 0.000 0.866 111 V CB -0.963 30.858 31.823 -0.004 0.000 1.019 111 V HN 0.353 8.529 8.190 -0.023 0.000 0.468 112 A N 7.709 130.538 122.820 0.016 0.000 3.030 112 A HA 0.685 5.020 4.320 0.025 0.000 0.335 112 A C -2.377 175.234 177.584 0.046 0.000 1.089 112 A CA -2.786 49.268 52.037 0.028 0.000 0.807 112 A CB 1.037 20.053 19.000 0.027 0.000 1.099 112 A HN 0.568 8.733 8.150 0.025 0.000 0.474 113 P HA -0.078 4.364 4.420 0.037 0.000 0.220 113 P C 0.877 178.200 177.300 0.039 0.000 1.148 113 P CA 0.937 64.057 63.100 0.033 0.000 0.803 113 P CB 0.781 32.491 31.700 0.017 0.000 0.782 114 G N -3.233 105.596 108.800 0.048 0.000 2.356 114 G HA2 -0.482 3.735 3.960 0.072 0.000 0.296 114 G HA3 -0.482 3.514 3.960 0.060 0.000 0.296 114 G C 0.107 175.023 174.900 0.025 0.000 1.022 114 G CA 0.484 45.616 45.100 0.054 0.000 0.961 114 G HN 0.223 8.526 8.290 0.051 0.018 0.510 115 A N -0.013 122.818 122.820 0.019 0.000 1.854 115 A HA -0.261 4.063 4.320 0.008 0.000 0.214 115 A C 0.870 178.455 177.584 0.002 0.000 1.192 115 A CA 2.661 54.704 52.037 0.010 0.000 0.611 115 A CB 0.200 19.207 19.000 0.012 0.000 0.832 115 A HN -0.028 8.197 8.150 0.022 -0.062 0.442 116 D N -3.583 116.816 120.400 -0.002 0.000 2.137 116 D HA -0.116 4.512 4.640 -0.021 0.000 0.202 116 D C -0.740 175.540 176.300 -0.033 0.000 0.970 116 D CA 2.471 56.459 54.000 -0.021 0.000 0.837 116 D CB 0.956 41.738 40.800 -0.030 0.000 0.981 116 D HN -0.279 8.433 8.370 0.002 -0.341 0.475 117 D N -2.950 117.448 120.400 -0.003 0.000 2.477 117 D HA 0.160 4.801 4.640 0.001 0.000 0.239 117 D C -1.715 174.597 176.300 0.020 0.000 1.102 117 D CA -0.325 53.694 54.000 0.032 0.000 0.901 117 D CB 0.419 41.289 40.800 0.117 0.000 1.026 117 D HN -0.701 7.928 8.370 0.011 -0.252 0.515 118 D N 5.577 125.880 120.400 -0.162 0.000 2.819 118 D HA 0.220 4.932 4.640 -0.154 -0.164 0.326 118 D C -0.141 176.066 176.300 -0.156 0.000 1.408 118 D CA -1.182 52.655 54.000 -0.271 0.000 0.811 118 D CB 0.182 40.553 40.800 -0.716 0.000 1.148 118 D HN -0.230 8.042 8.370 -0.164 0.000 0.457 119 A N 1.182 123.962 122.820 -0.067 0.000 1.972 119 A HA -0.336 3.979 4.320 -0.009 0.000 0.219 119 A C 1.044 178.632 177.584 0.008 0.000 1.169 119 A CA 3.326 55.354 52.037 -0.015 0.000 0.635 119 A CB -0.193 18.808 19.000 0.002 0.000 0.810 119 A HN 0.053 8.172 8.150 -0.052 0.000 0.446 120 S N -1.277 114.415 115.700 -0.014 0.000 2.368 120 S HA -0.292 4.189 4.470 0.018 0.000 0.225 120 S C 2.299 176.901 174.600 0.002 0.000 1.030 120 S CA 3.469 61.664 58.200 -0.007 0.000 0.999 120 S CB -0.857 62.317 63.200 -0.042 0.000 0.844 120 S HN -0.371 7.899 8.310 -0.030 0.022 0.459 121 G N 2.004 110.794 108.800 -0.017 0.000 2.394 121 G HA2 -0.193 3.783 3.960 0.026 0.000 0.215 121 G HA3 -0.193 4.041 3.960 0.020 -0.262 0.215 121 G C 1.166 176.126 174.900 0.099 0.000 1.165 121 G CA 1.810 46.926 45.100 0.028 0.000 0.784 121 G HN -0.543 7.893 8.290 -0.046 -0.174 0.535 122 I N 2.483 123.111 120.570 0.097 0.000 2.226 122 I HA -0.444 3.881 4.170 0.259 0.000 0.245 122 I C 2.000 178.261 176.117 0.240 0.000 1.100 122 I CA 1.427 62.844 61.300 0.195 0.000 1.374 122 I CB -1.416 36.670 38.000 0.142 0.000 1.057 122 I HN -0.448 7.787 8.210 0.041 0.000 0.413 123 A N -0.099 122.824 122.820 0.172 0.000 1.902 123 A HA -0.416 4.034 4.320 0.216 0.000 0.217 123 A C 1.527 179.197 177.584 0.143 0.000 1.181 123 A CA 3.204 55.343 52.037 0.170 0.000 0.623 123 A CB -0.877 18.198 19.000 0.124 0.000 0.818 123 A HN 0.255 8.483 8.150 0.129 0.000 0.443 124 A N -0.873 122.019 122.820 0.120 0.000 1.877 124 A HA -0.230 4.147 4.320 0.096 0.000 0.216 124 A C 2.110 179.762 177.584 0.113 0.000 1.186 124 A CA 2.787 54.890 52.037 0.109 0.000 0.620 124 A CB -0.636 18.430 19.000 0.111 0.000 0.822 124 A HN -0.498 7.718 8.150 0.110 0.000 0.443 125 V N -1.923 118.082 119.914 0.151 0.000 2.332 125 V HA -0.644 3.554 4.120 0.130 0.000 0.248 125 V C 2.124 178.207 176.094 -0.017 0.000 1.055 125 V CA 4.678 67.056 62.300 0.130 0.000 1.038 125 V CB -0.206 31.756 31.823 0.231 0.000 0.651 125 V HN -0.219 8.076 8.190 0.173 0.000 0.450 126 T N 1.975 116.594 114.554 0.109 0.000 2.720 126 T HA -0.453 3.805 4.350 -0.153 0.000 0.268 126 T C 1.567 176.227 174.700 -0.066 0.000 1.037 126 T CA 5.481 67.614 62.100 0.056 0.000 1.144 126 T CB -0.297 68.774 68.868 0.338 0.000 0.864 126 T HN -0.114 8.263 8.240 0.228 0.000 0.444 127 E N 1.709 121.908 120.200 -0.001 0.000 2.152 127 E HA -0.271 4.056 4.350 -0.038 0.000 0.192 127 E C 2.012 178.568 176.600 -0.074 0.000 0.983 127 E CA 2.327 58.711 56.400 -0.026 0.000 0.818 127 E CB -0.683 29.028 29.700 0.018 0.000 0.758 127 E HN -0.537 7.852 8.360 0.048 0.000 0.467 128 V N 0.530 120.409 119.914 -0.059 0.000 2.287 128 V HA -0.589 3.503 4.120 -0.047 0.000 0.248 128 V C 1.870 177.843 176.094 -0.203 0.000 1.053 128 V CA 4.858 67.120 62.300 -0.064 0.000 1.027 128 V CB -0.045 31.811 31.823 0.054 0.000 0.646 128 V HN -0.388 7.788 8.190 -0.023 0.000 0.447 129 I N -1.477 118.857 120.570 -0.392 0.000 2.208 129 I HA -0.564 3.178 4.170 -0.712 0.000 0.245 129 I C 1.654 177.546 176.117 -0.375 0.000 1.097 129 I CA 4.328 65.258 61.300 -0.617 0.000 1.363 129 I CB -0.461 36.969 38.000 -0.950 0.000 1.051 129 I HN -0.335 7.646 8.210 -0.383 0.000 0.413 130 R N -0.151 120.190 120.500 -0.266 0.000 2.083 130 R HA -0.362 3.861 4.340 -0.194 0.000 0.237 130 R C 2.386 178.558 176.300 -0.213 0.000 1.137 130 R CA 3.904 59.887 56.100 -0.195 0.000 0.951 130 R CB -0.105 30.121 30.300 -0.124 0.000 0.851 130 R HN -0.379 7.742 8.270 -0.247 0.000 0.434 131 V N -0.473 119.313 119.914 -0.214 0.000 2.343 131 V HA -0.513 3.445 4.120 -0.270 0.000 0.247 131 V C 2.072 177.910 176.094 -0.425 0.000 1.051 131 V CA 4.037 66.172 62.300 -0.274 0.000 1.036 131 V CB 0.010 31.716 31.823 -0.196 0.000 0.654 131 V HN -0.440 7.639 8.190 -0.185 0.000 0.451 132 L N -1.668 119.336 121.223 -0.366 0.000 2.046 132 L HA -0.471 3.510 4.340 -0.599 0.000 0.208 132 L C 2.256 178.959 176.870 -0.279 0.000 1.077 132 L CA 3.371 57.976 54.840 -0.392 0.000 0.747 132 L CB -0.592 41.321 42.059 -0.242 0.000 0.896 132 L HN -0.359 7.694 8.230 -0.295 0.000 0.432 133 S N -1.009 114.554 115.700 -0.229 0.000 2.383 133 S HA -0.274 4.130 4.470 -0.111 0.000 0.227 133 S C 2.373 176.863 174.600 -0.184 0.000 1.026 133 S CA 3.860 61.961 58.200 -0.166 0.000 0.981 133 S CB -0.413 62.688 63.200 -0.164 0.000 0.818 133 S HN -0.085 8.074 8.310 -0.251 0.000 0.472 134 E N -0.044 120.013 120.200 -0.238 0.000 2.268 134 E HA -0.180 4.070 4.350 -0.166 0.000 0.195 134 E C 0.583 177.015 176.600 -0.279 0.000 0.995 134 E CA 2.033 58.298 56.400 -0.225 0.000 0.836 134 E CB 0.100 29.670 29.700 -0.217 0.000 0.763 134 E HN -0.412 7.790 8.360 -0.263 0.000 0.491 135 N N -3.335 115.106 118.700 -0.431 0.000 2.204 135 N HA 0.126 4.663 4.740 -0.337 0.000 0.219 135 N C -1.637 173.736 175.510 -0.228 0.000 1.151 135 N CA -0.203 52.544 53.050 -0.505 0.000 0.867 135 N CB 0.821 38.495 38.487 -1.356 0.000 1.043 135 N HN -0.815 7.121 8.380 -0.472 0.160 0.516 136 N N -2.857 115.770 118.700 -0.122 0.000 2.738 136 N HA -0.390 4.350 4.740 0.000 0.000 0.249 136 N C -0.930 174.664 175.510 0.140 0.000 1.047 136 N CA 1.276 54.332 53.050 0.010 0.000 0.707 136 N CB -2.230 36.267 38.487 0.016 0.000 0.937 136 N HN -0.587 7.631 8.380 -0.160 0.066 0.545 137 F N 1.005 120.938 119.950 -0.027 0.000 2.578 137 F HA -0.254 4.447 4.527 0.289 0.000 0.376 137 F C -0.950 174.902 175.800 0.088 0.000 1.085 137 F CA 1.377 59.456 58.000 0.131 0.000 1.260 137 F CB 0.693 39.770 39.000 0.129 0.000 1.095 137 F HN -0.791 7.610 8.300 0.169 0.000 0.573 138 Q N 8.033 127.726 119.800 -0.178 0.000 2.932 138 Q HA 0.324 4.458 4.340 -0.343 0.000 0.248 138 Q C -2.169 173.530 176.000 -0.501 0.000 0.982 138 Q CA -3.857 51.761 55.803 -0.307 0.000 0.730 138 Q CB 0.644 29.308 28.738 -0.123 0.000 1.249 138 Q HN 0.167 8.448 8.270 0.019 0.000 0.476 139 P HA 0.048 4.108 4.420 -0.600 0.000 0.272 139 P C -0.132 176.957 177.300 -0.353 0.000 1.223 139 P CA -0.484 62.202 63.100 -0.690 0.000 0.784 139 P CB 1.555 32.809 31.700 -0.743 0.000 0.923 140 K N -0.722 119.534 120.400 -0.240 0.000 2.103 140 K HA -0.045 4.170 4.320 -0.176 0.000 0.204 140 K C 1.117 177.590 176.600 -0.212 0.000 1.052 140 K CA 2.339 58.514 56.287 -0.186 0.000 0.945 140 K CB 0.754 33.176 32.500 -0.131 0.000 0.722 140 K HN -0.084 8.038 8.250 -0.213 0.000 0.443 141 R N -2.434 117.923 120.500 -0.237 0.000 2.532 141 R HA 0.265 4.619 4.340 -0.297 -0.193 0.272 141 R C 0.630 176.689 176.300 -0.401 0.000 1.032 141 R CA -0.962 54.961 56.100 -0.296 0.000 1.089 141 R CB 1.683 31.830 30.300 -0.256 0.000 1.098 141 R HN -0.451 7.687 8.270 -0.220 0.000 0.526 142 S N 0.715 116.046 115.700 -0.616 0.000 2.576 142 S HA 0.189 4.510 4.470 -0.622 -0.224 0.276 142 S C -0.712 173.548 174.600 -0.566 0.000 1.339 142 S CA 1.179 58.872 58.200 -0.845 0.000 1.039 142 S CB 0.777 62.839 63.200 -1.896 0.000 0.902 142 S HN -0.205 7.703 8.310 -0.670 0.000 0.516 143 I N 0.834 121.219 120.570 -0.308 0.000 2.545 143 I HA 0.732 5.012 4.170 -0.137 -0.191 0.292 143 I C -1.988 174.147 176.117 0.031 0.000 1.040 143 I CA -1.752 59.453 61.300 -0.158 0.000 1.068 143 I CB 3.425 41.286 38.000 -0.231 0.000 1.251 143 I HN 0.116 8.153 8.210 -0.290 0.000 0.424 144 A N 4.670 127.496 122.820 0.010 0.000 2.330 144 A HA 0.852 5.494 4.320 0.218 -0.191 0.313 144 A C -1.905 175.530 177.584 -0.249 0.000 1.124 144 A CA -2.223 49.864 52.037 0.083 0.000 0.774 144 A CB 3.494 22.636 19.000 0.237 0.000 1.198 144 A HN 0.726 8.848 8.150 -0.047 0.000 0.465 145 F N 2.240 122.244 119.950 0.091 0.000 2.427 145 F HA 0.856 5.596 4.527 0.011 -0.206 0.346 145 F C -0.772 175.113 175.800 0.142 0.000 1.120 145 F CA -1.891 56.103 58.000 -0.010 0.000 1.033 145 F CB 2.462 41.271 39.000 -0.318 0.000 1.126 145 F HN 0.496 8.981 8.300 0.308 0.000 0.462 146 M N 1.830 121.592 119.600 0.270 0.000 2.464 146 M HA 0.819 5.645 4.480 0.250 -0.196 0.308 146 M C -1.943 174.347 176.300 -0.016 0.000 1.127 146 M CA -1.152 54.202 55.300 0.089 0.000 0.913 146 M CB 5.030 37.486 32.600 -0.240 0.000 1.689 146 M HN 0.322 8.739 8.290 0.212 0.000 0.445 147 A N 1.783 124.574 122.820 -0.049 0.000 2.431 147 A HA 0.768 5.260 4.320 -0.066 -0.211 0.318 147 A C -1.365 176.166 177.584 -0.089 0.000 1.330 147 A CA -1.878 50.101 52.037 -0.097 0.000 0.804 147 A CB 2.050 20.936 19.000 -0.190 0.000 1.135 147 A HN 0.732 8.890 8.150 0.012 0.000 0.483 148 Y N 3.943 124.360 120.300 0.195 0.000 2.309 148 Y HA -0.035 4.618 4.550 0.171 0.000 0.327 148 Y C -0.279 175.687 175.900 0.110 0.000 1.172 148 Y CA -0.844 57.350 58.100 0.157 0.000 1.280 148 Y CB 0.992 39.533 38.460 0.134 0.000 1.234 148 Y HN 0.302 8.539 8.280 -0.071 0.000 0.512 149 A N 2.662 125.622 122.820 0.235 0.000 2.386 149 A HA 0.087 4.478 4.320 0.119 0.000 0.248 149 A C -0.533 177.017 177.584 -0.056 0.000 1.082 149 A CA 0.156 52.268 52.037 0.124 0.000 0.789 149 A CB 0.784 19.931 19.000 0.247 0.000 1.025 149 A HN -0.031 8.291 8.150 0.286 0.000 0.490 150 A N -0.958 121.743 122.820 -0.197 0.000 2.872 150 A HA -0.353 3.680 4.320 -0.636 -0.095 0.273 150 A C 0.823 178.129 177.584 -0.463 0.000 1.442 150 A CA 0.996 52.716 52.037 -0.530 0.000 0.801 150 A CB -2.259 16.221 19.000 -0.867 0.000 1.031 150 A HN 0.592 8.666 8.150 -0.125 0.000 0.582 151 E N -0.801 119.193 120.200 -0.344 0.000 2.106 151 E HA -0.297 3.834 4.350 -0.365 0.000 0.192 151 E C 1.564 177.892 176.600 -0.452 0.000 0.984 151 E CA 2.785 58.930 56.400 -0.426 0.000 0.806 151 E CB 0.097 29.427 29.700 -0.618 0.000 0.750 151 E HN -0.374 8.051 8.360 -0.240 -0.209 0.458 152 E N -3.496 116.439 120.200 -0.442 0.000 2.482 152 E HA -0.069 4.107 4.350 -0.290 0.000 0.196 152 E C 0.284 176.694 176.600 -0.317 0.000 1.047 152 E CA 1.092 57.295 56.400 -0.327 0.000 0.869 152 E CB 0.299 29.861 29.700 -0.229 0.000 0.836 152 E HN -0.255 8.138 8.360 -0.430 -0.291 0.520 153 V N -6.956 112.675 119.914 -0.471 0.000 2.915 153 V HA 0.366 4.283 4.120 -0.338 0.000 0.364 153 V C -0.337 175.514 176.094 -0.405 0.000 1.354 153 V CA -1.777 60.227 62.300 -0.494 0.000 1.213 153 V CB -0.718 30.553 31.823 -0.920 0.000 1.268 153 V HN -0.905 6.884 8.190 -0.548 0.072 0.557 154 G N -0.549 108.066 108.800 -0.309 0.000 2.186 154 G HA2 -0.216 3.629 3.960 -0.192 0.000 0.130 154 G HA3 -0.216 3.611 3.960 -0.221 0.000 0.130 154 G C -0.333 174.412 174.900 -0.257 0.000 1.031 154 G CA -0.427 44.530 45.100 -0.239 0.000 0.697 154 G HN -0.738 7.300 8.290 -0.301 0.071 0.494 155 L N -5.702 115.343 121.223 -0.298 0.000 3.717 155 L HA -0.679 3.466 4.340 -0.324 0.000 0.414 155 L C 0.216 176.912 176.870 -0.291 0.000 1.228 155 L CA 0.755 55.411 54.840 -0.307 0.000 0.918 155 L CB -3.213 38.661 42.059 -0.308 0.000 1.865 155 L HN -0.251 7.693 8.230 -0.317 0.096 0.922 156 R N -0.486 119.835 120.500 -0.299 0.000 2.073 156 R HA -0.176 4.051 4.340 -0.189 0.000 0.229 156 R C 1.881 178.041 176.300 -0.234 0.000 1.120 156 R CA 3.633 59.597 56.100 -0.227 0.000 0.967 156 R CB 0.021 30.197 30.300 -0.207 0.000 0.862 156 R HN -0.436 7.624 8.270 -0.350 0.000 0.436 157 G N -2.152 106.469 108.800 -0.298 0.000 2.404 157 G HA2 -0.230 3.247 3.960 -0.806 0.000 0.215 157 G HA3 -0.230 3.699 3.960 -0.278 -0.135 0.215 157 G C 0.746 175.581 174.900 -0.108 0.000 1.174 157 G CA 2.131 47.010 45.100 -0.368 0.000 0.780 157 G HN -0.266 7.853 8.290 -0.285 0.000 0.537 158 S N 1.164 116.710 115.700 -0.257 0.000 2.402 158 S HA -0.398 3.850 4.470 -0.369 0.000 0.229 158 S C 1.565 175.888 174.600 -0.461 0.000 1.021 158 S CA 2.943 60.830 58.200 -0.521 0.000 0.974 158 S CB -0.945 61.628 63.200 -1.045 0.000 0.800 158 S HN -0.141 7.996 8.310 -0.289 0.000 0.484 159 Q N 2.586 122.182 119.800 -0.340 0.000 2.096 159 Q HA -0.386 3.760 4.340 -0.323 0.000 0.204 159 Q C 1.669 177.556 176.000 -0.189 0.000 0.982 159 Q CA 3.275 58.916 55.803 -0.270 0.000 0.850 159 Q CB -0.125 28.496 28.738 -0.195 0.000 0.901 159 Q HN -0.465 7.615 8.270 -0.317 0.000 0.422 160 D N 0.368 120.713 120.400 -0.092 0.000 2.097 160 D HA -0.249 4.394 4.640 0.006 0.000 0.195 160 D C 2.556 178.864 176.300 0.013 0.000 0.989 160 D CA 3.309 57.323 54.000 0.024 0.000 0.827 160 D CB -0.207 40.712 40.800 0.198 0.000 0.966 160 D HN -0.644 7.666 8.370 -0.100 0.000 0.456 161 L N -1.147 120.078 121.223 0.003 0.000 2.056 161 L HA -0.320 4.091 4.340 0.117 0.000 0.207 161 L C 1.895 178.630 176.870 -0.224 0.000 1.078 161 L CA 3.008 57.852 54.840 0.007 0.000 0.749 161 L CB -0.273 41.871 42.059 0.142 0.000 0.901 161 L HN -0.363 7.873 8.230 0.010 0.000 0.433 162 A N -1.304 121.128 122.820 -0.648 0.000 1.902 162 A HA -0.407 3.086 4.320 -1.378 0.000 0.217 162 A C 1.818 179.283 177.584 -0.199 0.000 1.181 162 A CA 3.404 54.887 52.037 -0.923 0.000 0.623 162 A CB -0.654 17.637 19.000 -1.182 0.000 0.818 162 A HN 0.289 8.058 8.150 -0.636 0.000 0.443 163 N N -2.039 116.576 118.700 -0.141 0.000 2.244 163 N HA -0.261 4.479 4.740 0.000 0.000 0.183 163 N C 2.336 177.875 175.510 0.047 0.000 1.016 163 N CA 2.577 55.613 53.050 -0.023 0.000 0.866 163 N CB -0.429 38.031 38.487 -0.045 0.000 0.980 163 N HN -0.314 7.946 8.380 -0.200 0.000 0.430 164 Q N 1.666 121.509 119.800 0.072 0.000 2.046 164 Q HA -0.195 4.184 4.340 0.065 0.000 0.200 164 Q C 2.371 178.464 176.000 0.154 0.000 0.975 164 Q CA 2.697 58.564 55.803 0.106 0.000 0.836 164 Q CB -0.396 28.414 28.738 0.121 0.000 0.896 164 Q HN -0.247 8.050 8.270 0.046 0.000 0.428 165 Y N -0.162 120.151 120.300 0.020 0.000 2.128 165 Y HA -0.346 4.184 4.550 -0.033 0.000 0.284 165 Y C 2.395 178.373 175.900 0.130 0.000 1.154 165 Y CA 3.187 61.313 58.100 0.044 0.000 1.149 165 Y CB -0.358 38.170 38.460 0.115 0.000 0.976 165 Y HN -0.126 8.419 8.280 0.442 0.000 0.505 166 K N -0.334 120.271 120.400 0.343 0.000 2.097 166 K HA -0.285 4.255 4.320 0.367 0.000 0.206 166 K C 3.138 179.815 176.600 0.127 0.000 1.049 166 K CA 2.906 59.354 56.287 0.269 0.000 0.933 166 K CB -0.110 32.498 32.500 0.181 0.000 0.717 166 K HN -0.369 8.083 8.250 0.337 0.000 0.442 167 S N 0.354 116.106 115.700 0.086 0.000 2.406 167 S HA -0.129 4.363 4.470 0.037 0.000 0.228 167 S C 1.506 176.122 174.600 0.025 0.000 1.020 167 S CA 2.909 61.135 58.200 0.042 0.000 0.965 167 S CB -0.322 62.895 63.200 0.028 0.000 0.798 167 S HN -0.336 8.032 8.310 0.097 0.000 0.488 168 E N 0.089 120.294 120.200 0.009 0.000 2.511 168 E HA -0.009 4.327 4.350 -0.023 0.000 0.196 168 E C -0.157 176.440 176.600 -0.004 0.000 1.066 168 E CA 0.049 56.431 56.400 -0.031 0.000 0.871 168 E CB -0.096 29.531 29.700 -0.122 0.000 0.863 168 E HN -0.582 7.788 8.360 0.017 0.000 0.520 169 G N -0.884 107.945 108.800 0.048 0.000 2.198 169 G HA2 -0.432 3.587 3.960 0.098 0.000 0.260 169 G HA3 -0.432 3.563 3.960 0.060 0.000 0.260 169 G C -0.240 174.723 174.900 0.104 0.000 1.025 169 G CA 0.636 45.783 45.100 0.079 0.000 0.769 169 G HN -0.556 7.585 8.290 0.064 0.188 0.507 170 K N -0.276 120.179 120.400 0.091 0.000 2.322 170 K HA -0.167 4.213 4.320 0.100 0.000 0.283 170 K C -1.436 175.304 176.600 0.233 0.000 1.042 170 K CA -0.047 56.282 56.287 0.070 0.000 0.958 170 K CB 0.600 32.917 32.500 -0.304 0.000 0.984 170 K HN -0.401 7.878 8.250 0.084 0.022 0.473 171 N N 5.745 124.608 118.700 0.272 0.000 2.605 171 N HA -0.047 4.885 4.740 0.321 0.000 0.258 171 N C -1.379 174.273 175.510 0.236 0.000 1.156 171 N CA -0.362 52.852 53.050 0.273 0.000 1.008 171 N CB 0.294 38.900 38.487 0.198 0.000 1.354 171 N HN 0.311 8.862 8.380 0.285 0.000 0.509 172 V N 6.188 126.149 119.914 0.078 0.000 2.372 172 V HA -0.116 4.165 4.120 0.010 -0.155 0.261 172 V C -0.168 175.915 176.094 -0.019 0.000 1.055 172 V CA -0.068 62.150 62.300 -0.136 0.000 0.930 172 V CB -1.016 30.359 31.823 -0.745 0.000 1.031 172 V HN -0.253 8.000 8.190 0.105 0.000 0.479 173 V N 9.227 129.120 119.914 -0.035 0.000 2.427 173 V HA -0.280 3.822 4.120 -0.030 0.000 0.248 173 V C -0.094 175.882 176.094 -0.197 0.000 1.051 173 V CA 2.928 65.179 62.300 -0.082 0.000 1.048 173 V CB 0.567 32.322 31.823 -0.112 0.000 0.666 173 V HN 0.448 8.626 8.190 -0.020 0.000 0.456 174 S N -5.961 109.577 115.700 -0.269 0.000 2.558 174 S HA 0.248 4.587 4.470 -0.501 -0.170 0.277 174 S C -2.297 172.135 174.600 -0.278 0.000 1.143 174 S CA -0.190 57.720 58.200 -0.484 0.000 0.865 174 S CB 2.805 65.445 63.200 -0.933 0.000 1.102 174 S HN -0.819 7.329 8.310 -0.220 0.030 0.454 175 A N 2.062 124.786 122.820 -0.159 0.000 2.385 175 A HA 0.536 4.893 4.320 -0.233 -0.177 0.290 175 A C -2.996 174.692 177.584 0.173 0.000 1.094 175 A CA -1.029 50.900 52.037 -0.180 0.000 0.729 175 A CB 2.783 21.375 19.000 -0.679 0.000 1.194 175 A HN 0.540 8.640 8.150 -0.083 0.000 0.442 176 L N 4.640 125.939 121.223 0.127 0.000 2.295 176 L HA 0.551 5.104 4.340 0.117 -0.142 0.285 176 L C -1.970 174.980 176.870 0.133 0.000 1.035 176 L CA -1.166 53.716 54.840 0.069 0.000 0.806 176 L CB 3.607 45.503 42.059 -0.271 0.000 1.214 176 L HN 0.134 8.418 8.230 0.090 0.000 0.426 177 Q N 5.840 125.737 119.800 0.162 0.000 2.312 177 Q HA 0.621 5.306 4.340 0.297 -0.167 0.263 177 Q C -1.557 174.539 176.000 0.160 0.000 0.995 177 Q CA -2.027 53.917 55.803 0.235 0.000 0.853 177 Q CB 2.979 31.903 28.738 0.310 0.000 1.300 177 Q HN 0.410 8.755 8.270 0.124 0.000 0.448 178 L N 6.576 127.908 121.223 0.183 0.000 2.316 178 L HA 0.395 4.790 4.340 0.092 0.000 0.280 178 L C -1.254 175.691 176.870 0.125 0.000 1.006 178 L CA -0.676 54.236 54.840 0.119 0.000 0.836 178 L CB 1.460 43.580 42.059 0.102 0.000 1.221 178 L HN 0.150 8.516 8.230 0.228 0.000 0.418 179 D N 5.119 125.591 120.400 0.121 0.000 2.346 179 D HA 0.172 5.261 4.640 0.098 -0.390 0.255 179 D C -1.461 174.928 176.300 0.148 0.000 1.276 179 D CA -0.505 53.588 54.000 0.155 0.000 0.941 179 D CB 0.926 41.880 40.800 0.257 0.000 1.199 179 D HN 0.249 8.689 8.370 0.115 0.000 0.537 180 M N 0.695 120.282 119.600 -0.021 0.000 4.044 180 M HA -0.447 4.233 4.480 -0.138 -0.282 0.157 180 M C -1.637 174.411 176.300 -0.420 0.000 1.532 180 M CA 0.797 56.008 55.300 -0.149 0.000 1.096 180 M CB -1.674 30.859 32.600 -0.112 0.000 1.346 180 M HN -0.035 8.492 8.290 -0.045 -0.264 0.193 181 T N -4.429 109.851 114.554 -0.456 0.000 3.111 181 T HA 0.254 3.689 4.350 -1.524 0.000 0.284 181 T C -0.415 174.023 174.700 -0.437 0.000 0.983 181 T CA -0.735 60.846 62.100 -0.866 0.000 0.900 181 T CB 1.534 70.009 68.868 -0.656 0.000 1.132 181 T HN 0.287 8.452 8.240 -0.288 -0.098 0.531 182 N N 1.067 119.710 118.700 -0.095 0.000 2.307 182 N HA 0.247 5.108 4.740 0.201 0.000 0.248 182 N C -3.116 172.512 175.510 0.197 0.000 1.322 182 N CA -0.283 52.837 53.050 0.115 0.000 0.861 182 N CB 2.359 40.878 38.487 0.053 0.000 1.303 182 N HN -0.445 8.197 8.380 -0.127 -0.339 0.498 183 Y N -0.621 119.703 120.300 0.040 0.000 2.329 183 Y HA 0.162 4.654 4.550 -0.098 0.000 0.328 183 Y C -2.104 173.661 175.900 -0.225 0.000 0.992 183 Y CA -1.815 56.232 58.100 -0.088 0.000 1.151 183 Y CB 3.052 41.464 38.460 -0.080 0.000 1.150 183 Y HN -0.699 7.887 8.280 0.231 -0.167 0.450 184 K N 9.652 129.580 120.400 -0.786 0.000 2.187 184 K HA 0.030 3.870 4.320 -0.800 0.000 0.242 184 K C -0.298 175.957 176.600 -0.575 0.000 1.179 184 K CA -0.766 55.008 56.287 -0.855 0.000 1.097 184 K CB -1.369 30.558 32.500 -0.955 0.000 1.634 184 K HN 0.294 8.079 8.250 -0.775 0.000 0.335 185 G N 3.733 112.349 108.800 -0.308 0.000 2.650 185 G HA2 -0.011 3.797 3.960 -0.252 0.000 0.214 185 G HA3 -0.011 4.220 3.960 0.133 -0.192 0.214 185 G C -0.619 174.247 174.900 -0.057 0.000 1.136 185 G CA 0.433 45.467 45.100 -0.110 0.000 0.789 185 G HN -0.308 7.890 8.290 -0.154 0.000 0.536 186 S N -2.068 113.600 115.700 -0.055 0.000 2.709 186 S HA 0.265 4.731 4.470 -0.006 0.000 0.302 186 S C -0.617 173.966 174.600 -0.028 0.000 1.127 186 S CA -1.139 57.056 58.200 -0.009 0.000 0.905 186 S CB 2.832 66.062 63.200 0.049 0.000 1.151 186 S HN -0.830 7.376 8.310 -0.081 0.055 0.510 187 A N 2.155 124.971 122.820 -0.006 0.000 1.969 187 A HA -0.266 4.039 4.320 -0.025 0.000 0.218 187 A C 0.088 177.675 177.584 0.005 0.000 1.169 187 A CA 2.321 54.352 52.037 -0.009 0.000 0.635 187 A CB -0.054 18.946 19.000 -0.000 0.000 0.810 187 A HN 0.706 8.861 8.150 0.007 0.000 0.445 188 Q N -3.532 116.286 119.800 0.029 0.000 2.373 188 Q HA -0.107 4.251 4.340 0.030 0.000 0.255 188 Q C 0.437 176.483 176.000 0.077 0.000 0.980 188 Q CA 0.505 56.336 55.803 0.046 0.000 0.882 188 Q CB 0.340 29.115 28.738 0.062 0.000 1.249 188 Q HN -0.445 7.823 8.270 0.035 0.022 0.438 189 D N 0.342 120.789 120.400 0.079 0.000 2.137 189 D HA -0.066 4.727 4.640 0.256 0.000 0.202 189 D C -0.354 175.987 176.300 0.069 0.000 0.970 189 D CA 2.913 56.988 54.000 0.125 0.000 0.837 189 D CB 1.316 42.132 40.800 0.027 0.000 0.981 189 D HN -0.182 8.220 8.370 0.054 0.000 0.475 190 V N -3.139 116.750 119.914 -0.042 0.000 2.760 190 V HA 0.291 4.368 4.120 -0.071 0.000 0.309 190 V C -2.088 173.901 176.094 -0.175 0.000 1.077 190 V CA -2.225 59.946 62.300 -0.214 0.000 0.910 190 V CB 3.362 34.831 31.823 -0.590 0.000 1.008 190 V HN -0.607 7.585 8.190 0.004 0.000 0.424 191 V N 5.749 125.572 119.914 -0.153 0.000 2.407 191 V HA 0.380 4.644 4.120 -0.103 -0.205 0.291 191 V C -0.751 175.228 176.094 -0.192 0.000 1.018 191 V CA -1.831 60.421 62.300 -0.080 0.000 0.842 191 V CB 1.553 33.470 31.823 0.157 0.000 0.996 191 V HN 0.296 8.451 8.190 -0.059 0.000 0.426 192 F N 7.682 127.536 119.950 -0.159 0.000 2.438 192 F HA 0.123 4.742 4.527 -0.080 -0.141 0.356 192 F C 0.088 175.894 175.800 0.011 0.000 1.099 192 F CA 0.043 57.958 58.000 -0.141 0.000 1.185 192 F CB 1.071 39.874 39.000 -0.328 0.000 1.115 192 F HN 0.422 8.606 8.300 -0.195 0.000 0.526 193 I N 2.868 123.517 120.570 0.131 0.000 2.441 193 I HA 0.317 4.761 4.170 0.068 -0.232 0.287 193 I C 1.534 177.700 176.117 0.082 0.000 1.049 193 I CA -0.827 60.496 61.300 0.039 0.000 1.381 193 I CB -1.091 36.810 38.000 -0.164 0.000 1.409 193 I HN 0.109 8.371 8.210 0.087 0.000 0.523 194 T N 1.963 116.576 114.554 0.098 0.000 3.001 194 T HA 0.207 4.630 4.350 0.122 0.000 0.251 194 T C -0.156 174.560 174.700 0.026 0.000 1.040 194 T CA -0.305 61.855 62.100 0.101 0.000 0.985 194 T CB 1.328 70.277 68.868 0.135 0.000 1.011 194 T HN 0.365 8.653 8.240 0.079 0.000 0.509 195 D N 0.805 121.206 120.400 0.000 0.000 2.193 195 D HA -0.022 4.550 4.640 -0.114 0.000 0.249 195 D C -0.708 175.600 176.300 0.013 0.000 1.034 195 D CA -0.876 53.095 54.000 -0.048 0.000 0.902 195 D CB 0.306 41.094 40.800 -0.020 0.000 1.182 195 D HN -0.512 7.860 8.370 0.003 0.000 0.436 196 Y N -7.018 113.086 120.300 -0.327 0.000 4.079 196 Y HA -0.381 3.273 4.550 -1.492 0.000 0.223 196 Y C -1.062 174.603 175.900 -0.391 0.000 1.155 196 Y CA 1.492 59.180 58.100 -0.686 0.000 1.805 196 Y CB -2.053 36.213 38.460 -0.323 0.000 1.571 196 Y HN 0.465 8.382 8.280 -0.605 0.000 0.654 197 T N -6.279 108.203 114.554 -0.120 0.000 2.865 197 T HA 0.141 4.737 4.350 0.298 -0.067 0.294 197 T C -1.849 172.983 174.700 0.222 0.000 1.119 197 T CA -2.903 59.298 62.100 0.167 0.000 1.007 197 T CB 3.434 72.377 68.868 0.125 0.000 1.225 197 T HN -0.857 7.226 8.240 -0.190 0.042 0.515 198 D N -0.159 120.415 120.400 0.289 0.000 2.280 198 D HA 0.302 5.087 4.640 0.242 0.000 0.236 198 D C 0.853 177.268 176.300 0.190 0.000 1.082 198 D CA -1.226 52.934 54.000 0.266 0.000 0.834 198 D CB 2.351 43.350 40.800 0.331 0.000 1.100 198 D HN 0.012 8.572 8.370 0.317 0.000 0.486 199 S N 6.555 122.335 115.700 0.133 0.000 2.428 199 S HA -0.269 4.248 4.470 0.079 0.000 0.230 199 S C 1.656 176.314 174.600 0.097 0.000 1.014 199 S CA 2.800 61.052 58.200 0.088 0.000 0.957 199 S CB 0.163 63.391 63.200 0.047 0.000 0.784 199 S HN 0.524 8.911 8.310 0.128 0.000 0.499 200 N N 3.424 122.202 118.700 0.130 0.000 2.084 200 N HA -0.284 4.524 4.740 0.115 0.000 0.190 200 N C 1.906 177.559 175.510 0.237 0.000 1.030 200 N CA 3.144 56.282 53.050 0.146 0.000 0.849 200 N CB -0.174 38.385 38.487 0.121 0.000 1.012 200 N HN -0.754 7.793 8.380 0.132 -0.088 0.423 201 F N 1.473 121.477 119.950 0.090 0.000 2.113 201 F HA -0.256 4.357 4.527 0.144 0.000 0.297 201 F C 1.057 176.929 175.800 0.120 0.000 1.103 201 F CA 1.774 59.850 58.000 0.126 0.000 1.248 201 F CB -0.217 38.853 39.000 0.116 0.000 0.999 201 F HN -0.144 8.680 8.300 0.363 -0.306 0.475 202 T N 1.737 116.235 114.554 -0.092 0.000 2.708 202 T HA -0.508 3.527 4.350 -0.524 0.000 0.266 202 T C 2.152 176.668 174.700 -0.306 0.000 1.037 202 T CA 5.067 66.983 62.100 -0.306 0.000 1.146 202 T CB -0.193 68.600 68.868 -0.126 0.000 0.865 202 T HN -0.074 8.191 8.240 0.041 0.000 0.435 203 Q N 0.279 120.034 119.800 -0.075 0.000 2.124 203 Q HA -0.256 4.027 4.340 -0.095 0.000 0.202 203 Q C 2.254 178.230 176.000 -0.040 0.000 0.977 203 Q CA 2.683 58.455 55.803 -0.053 0.000 0.850 203 Q CB -0.461 28.293 28.738 0.026 0.000 0.901 203 Q HN -0.272 7.997 8.270 -0.001 0.000 0.429 204 Y N 2.106 122.378 120.300 -0.046 0.000 2.165 204 Y HA -0.424 4.135 4.550 0.015 0.000 0.286 204 Y C 1.689 177.558 175.900 -0.052 0.000 1.155 204 Y CA 3.591 61.699 58.100 0.014 0.000 1.164 204 Y CB -0.231 38.324 38.460 0.158 0.000 0.978 204 Y HN -0.443 7.973 8.280 0.227 0.000 0.513 205 L N -3.298 117.764 121.223 -0.268 0.000 2.079 205 L HA -0.521 3.591 4.340 -0.379 0.000 0.210 205 L C 2.231 178.802 176.870 -0.498 0.000 1.081 205 L CA 2.969 57.564 54.840 -0.407 0.000 0.752 205 L CB -0.596 41.234 42.059 -0.381 0.000 0.896 205 L HN -0.211 7.936 8.230 -0.138 0.000 0.433 206 T N -2.668 111.492 114.554 -0.656 0.000 2.833 206 T HA -0.429 3.401 4.350 -0.867 0.000 0.269 206 T C 1.981 176.486 174.700 -0.324 0.000 1.054 206 T CA 3.854 65.555 62.100 -0.664 0.000 1.135 206 T CB -0.299 68.224 68.868 -0.575 0.000 0.869 206 T HN -0.411 7.351 8.240 -0.662 0.081 0.466 207 Q N 1.916 121.565 119.800 -0.251 0.000 2.119 207 Q HA -0.257 4.016 4.340 -0.112 0.000 0.201 207 Q C 2.618 178.481 176.000 -0.229 0.000 0.972 207 Q CA 2.991 58.684 55.803 -0.183 0.000 0.847 207 Q CB -0.110 28.548 28.738 -0.133 0.000 0.903 207 Q HN -0.582 7.437 8.270 -0.268 0.090 0.433 208 L N -0.700 120.341 121.223 -0.302 0.000 2.046 208 L HA -0.384 3.887 4.340 -0.115 0.000 0.208 208 L C 2.214 179.052 176.870 -0.053 0.000 1.077 208 L CA 2.998 57.752 54.840 -0.143 0.000 0.747 208 L CB -0.436 41.559 42.059 -0.106 0.000 0.896 208 L HN -0.328 7.576 8.230 -0.411 0.080 0.432 209 M N -1.507 118.026 119.600 -0.112 0.000 2.080 209 M HA -0.423 4.052 4.480 -0.009 0.000 0.260 209 M C 2.710 179.017 176.300 0.013 0.000 1.068 209 M CA 2.825 58.095 55.300 -0.049 0.000 1.109 209 M CB -1.445 31.067 32.600 -0.147 0.000 1.342 209 M HN -0.294 7.882 8.290 -0.190 0.000 0.405 210 D N -1.249 119.151 120.400 0.000 0.000 2.117 210 D HA -0.176 4.518 4.640 0.090 0.000 0.197 210 D C 2.103 178.365 176.300 -0.063 0.000 0.987 210 D CA 2.989 57.005 54.000 0.026 0.000 0.829 210 D CB -0.469 40.349 40.800 0.029 0.000 0.961 210 D HN -0.299 8.043 8.370 -0.046 0.000 0.460 211 E N -2.041 118.048 120.200 -0.185 0.000 2.051 211 E HA -0.147 4.046 4.350 -0.263 0.000 0.189 211 E C 1.469 177.886 176.600 -0.304 0.000 0.979 211 E CA 1.938 58.121 56.400 -0.361 0.000 0.803 211 E CB 0.374 29.647 29.700 -0.712 0.000 0.761 211 E HN -0.562 7.681 8.360 -0.195 0.000 0.451 212 Y N -6.293 113.990 120.300 -0.030 0.000 2.498 212 Y HA 0.095 4.630 4.550 -0.024 0.000 0.259 212 Y C 0.104 175.991 175.900 -0.022 0.000 1.086 212 Y CA 0.774 58.857 58.100 -0.028 0.000 1.287 212 Y CB 2.019 40.457 38.460 -0.038 0.000 1.146 212 Y HN -0.470 7.769 8.280 -0.069 0.000 0.523 213 L N -1.942 119.349 121.223 0.112 0.000 2.913 213 L HA 0.477 4.851 4.340 0.058 0.000 0.283 213 L C -1.679 175.222 176.870 0.051 0.000 1.336 213 L CA -2.271 52.605 54.840 0.060 0.000 0.815 213 L CB 0.955 43.027 42.059 0.022 0.000 1.188 213 L HN -0.549 7.736 8.230 0.092 0.000 0.551 214 P HA 0.109 4.561 4.420 0.053 0.000 0.226 214 P C 0.017 177.338 177.300 0.035 0.000 1.153 214 P CA 1.349 64.472 63.100 0.039 0.000 0.777 214 P CB -0.006 31.705 31.700 0.018 0.000 0.794 215 S N -2.439 113.278 115.700 0.028 0.000 2.527 215 S HA -0.104 4.374 4.470 0.015 0.000 0.222 215 S C 0.517 175.129 174.600 0.020 0.000 0.985 215 S CA 0.963 59.174 58.200 0.019 0.000 0.921 215 S CB 0.145 63.353 63.200 0.014 0.000 0.772 215 S HN -0.344 7.944 8.310 0.028 0.039 0.529 216 L N 3.114 124.356 121.223 0.032 0.000 2.395 216 L HA 0.035 4.522 4.340 0.021 -0.134 0.269 216 L C -0.116 176.791 176.870 0.061 0.000 1.133 216 L CA -0.189 54.672 54.840 0.035 0.000 0.812 216 L CB 0.821 42.889 42.059 0.013 0.000 1.125 216 L HN -0.777 7.426 8.230 0.038 0.050 0.452 217 T N -1.877 112.698 114.554 0.036 0.000 2.945 217 T HA 0.296 4.604 4.350 -0.069 0.000 0.286 217 T C -1.866 172.873 174.700 0.064 0.000 1.025 217 T CA -1.636 60.456 62.100 -0.013 0.000 1.039 217 T CB 2.049 70.888 68.868 -0.048 0.000 1.068 217 T HN 0.183 8.764 8.240 0.028 -0.324 0.497 218 Y N -3.225 117.080 120.300 0.010 0.000 2.597 218 Y HA 1.019 5.711 4.550 -0.053 -0.174 0.340 218 Y C -1.681 174.231 175.900 0.019 0.000 1.097 218 Y CA -2.252 55.838 58.100 -0.016 0.000 1.037 218 Y CB 2.635 41.107 38.460 0.020 0.000 1.305 218 Y HN 0.072 8.106 8.280 -0.410 0.000 0.463 219 G N -1.528 107.359 108.800 0.145 0.000 3.021 219 G HA2 0.415 4.556 3.960 0.302 0.000 0.290 219 G HA3 0.415 4.490 3.960 0.192 0.000 0.290 219 G C -3.448 171.422 174.900 -0.050 0.000 1.291 219 G CA -1.418 43.782 45.100 0.168 0.000 0.834 219 G HN 0.148 8.510 8.290 0.120 0.000 0.564 220 F N -3.278 116.822 119.950 0.249 0.000 2.613 220 F HA 0.780 5.655 4.527 0.286 -0.177 0.310 220 F C -1.895 174.010 175.800 0.175 0.000 1.085 220 F CA -0.742 57.399 58.000 0.235 0.000 0.945 220 F CB 4.506 43.620 39.000 0.189 0.000 1.298 220 F HN -0.085 8.475 8.300 0.434 0.000 0.455 221 D N -0.770 119.822 120.400 0.320 0.000 2.713 221 D HA 0.354 5.116 4.640 0.203 0.000 0.306 221 D C -2.366 173.999 176.300 0.108 0.000 1.299 221 D CA -0.876 53.251 54.000 0.213 0.000 0.823 221 D CB 3.883 44.830 40.800 0.245 0.000 1.353 221 D HN 0.357 8.921 8.370 0.323 0.000 0.447 222 T N -4.177 110.382 114.554 0.008 0.000 2.912 222 T HA 0.402 4.801 4.350 -0.103 -0.110 0.288 222 T C -0.274 174.159 174.700 -0.445 0.000 1.030 222 T CA -2.041 59.982 62.100 -0.129 0.000 1.020 222 T CB 2.972 71.790 68.868 -0.082 0.000 1.056 222 T HN -0.018 8.242 8.240 0.034 0.000 0.480 223 c N 1.431 119.684 118.600 -0.579 0.000 2.475 223 c HA -0.011 3.305 4.570 -2.090 0.000 0.279 223 c C 1.136 174.907 174.090 -0.531 0.000 1.322 223 c CA 1.141 56.852 56.329 -1.031 0.000 1.734 223 c CB 0.279 42.335 42.510 -0.756 0.000 2.005 223 c HN 0.472 8.736 8.230 -0.382 -0.263 0.495 224 G N -1.135 107.550 108.800 -0.192 0.000 2.195 224 G HA2 -0.285 3.692 3.960 0.029 0.000 0.224 224 G HA3 -0.285 3.718 3.960 0.072 0.000 0.224 224 G C -1.495 173.546 174.900 0.234 0.000 0.990 224 G CA 0.309 45.435 45.100 0.044 0.000 0.639 224 G HN 0.092 8.587 8.290 -0.183 -0.316 0.514 225 Y N -5.598 114.689 120.300 -0.021 0.000 2.818 225 Y HA 0.137 4.742 4.550 0.093 0.000 0.341 225 Y C -2.661 173.138 175.900 -0.169 0.000 1.283 225 Y CA -3.414 54.681 58.100 -0.008 0.000 1.075 225 Y CB 0.134 38.568 38.460 -0.043 0.000 1.370 225 Y HN -1.093 7.071 8.280 -0.085 0.065 0.448 226 A N 1.055 123.572 122.820 -0.504 0.000 2.906 226 A HA 0.179 3.766 4.320 -1.222 0.000 0.289 226 A C -0.584 176.564 177.584 -0.727 0.000 1.675 226 A CA 0.140 51.619 52.037 -0.930 0.000 1.372 226 A CB -1.598 16.840 19.000 -0.936 0.000 1.091 226 A HN 0.171 8.211 8.150 -0.183 0.000 0.579 227 c N -1.455 116.618 118.600 -0.878 0.000 2.594 227 c HA 0.083 4.133 4.570 -0.867 0.000 0.265 227 c C -0.626 173.287 174.090 -0.295 0.000 1.351 227 c CA -1.270 54.592 56.329 -0.778 0.000 1.744 227 c CB -0.416 41.595 42.510 -0.831 0.000 1.890 227 c HN -0.201 7.566 8.230 -0.772 0.000 0.551 228 S N -1.788 113.749 115.700 -0.272 0.000 2.727 228 S HA 0.140 4.730 4.470 -0.146 -0.207 0.278 228 S C -0.683 173.741 174.600 -0.293 0.000 1.186 228 S CA -0.661 57.468 58.200 -0.118 0.000 0.836 228 S CB 1.667 64.973 63.200 0.177 0.000 1.186 228 S HN -0.832 7.201 8.310 -0.462 0.000 0.499 229 D N 1.535 121.880 120.400 -0.092 0.000 2.310 229 D HA -0.121 4.312 4.640 -0.346 0.000 0.212 229 D C 1.336 177.604 176.300 -0.052 0.000 0.965 229 D CA 2.968 56.840 54.000 -0.214 0.000 0.879 229 D CB 0.385 40.976 40.800 -0.349 0.000 0.921 229 D HN 0.600 9.007 8.370 0.061 0.000 0.510 230 H N -2.572 116.564 119.070 0.111 0.000 2.390 230 H HA -0.322 4.468 4.556 0.391 0.000 0.298 230 H C 1.142 176.600 175.328 0.216 0.000 1.106 230 H CA 2.383 58.574 56.048 0.238 0.000 1.297 230 H CB -1.088 28.779 29.762 0.174 0.000 1.375 230 H HN -0.054 8.413 8.280 0.373 0.037 0.509 231 A N -1.422 121.075 122.820 -0.539 0.000 1.972 231 A HA -0.278 4.034 4.320 -0.013 0.000 0.219 231 A C 1.818 179.355 177.584 -0.078 0.000 1.169 231 A CA 2.691 54.551 52.037 -0.294 0.000 0.635 231 A CB -0.873 17.678 19.000 -0.749 0.000 0.810 231 A HN -0.223 7.299 8.150 -1.008 0.024 0.446 232 S N -0.231 115.347 115.700 -0.203 0.000 2.368 232 S HA -0.232 4.108 4.470 -0.218 0.000 0.225 232 S C 2.127 176.618 174.600 -0.183 0.000 1.030 232 S CA 3.879 61.916 58.200 -0.271 0.000 0.999 232 S CB -0.240 62.654 63.200 -0.509 0.000 0.844 232 S HN -0.574 7.458 8.310 -0.275 0.113 0.459 233 W N 0.526 121.875 121.300 0.083 0.000 2.381 233 W HA -0.379 4.434 4.660 0.254 0.000 0.301 233 W C 1.909 178.590 176.519 0.270 0.000 1.205 233 W CA 3.911 61.385 57.345 0.215 0.000 1.285 233 W CB -0.317 29.263 29.460 0.200 0.000 1.133 233 W HN -0.807 7.407 8.180 0.057 0.000 0.521 234 H N 1.162 120.454 119.070 0.369 0.000 2.319 234 H HA -0.285 4.623 4.556 0.292 -0.176 0.299 234 H C 2.987 178.420 175.328 0.176 0.000 1.092 234 H CA 3.831 60.046 56.048 0.278 0.000 1.302 234 H CB 0.225 30.165 29.762 0.296 0.000 1.373 234 H HN -0.026 8.584 8.280 0.551 0.000 0.497 235 N N -0.033 118.793 118.700 0.210 0.000 2.309 235 N HA -0.264 4.519 4.740 0.072 0.000 0.182 235 N C 1.165 176.662 175.510 -0.021 0.000 1.018 235 N CA 2.145 55.245 53.050 0.083 0.000 0.876 235 N CB 0.094 38.638 38.487 0.094 0.000 0.972 235 N HN -0.048 8.501 8.380 0.281 0.000 0.434 236 A N -3.122 119.693 122.820 -0.007 0.000 2.235 236 A HA 0.028 4.292 4.320 -0.094 0.000 0.208 236 A C -0.809 176.605 177.584 -0.284 0.000 1.172 236 A CA -0.059 51.929 52.037 -0.083 0.000 0.786 236 A CB 0.100 19.124 19.000 0.039 0.000 0.804 236 A HN -0.489 7.671 8.150 0.057 0.024 0.479 237 G N -4.835 103.831 108.800 -0.224 0.000 2.159 237 G HA2 -0.306 3.517 3.960 -0.229 0.000 0.227 237 G HA3 -0.306 3.440 3.960 -0.357 0.000 0.227 237 G C -0.602 174.157 174.900 -0.235 0.000 0.986 237 G CA 0.000 44.925 45.100 -0.292 0.000 0.651 237 G HN -0.379 7.648 8.290 -0.131 0.184 0.523 238 Y N -0.340 120.032 120.300 0.120 0.000 2.457 238 Y HA 0.358 4.974 4.550 0.110 0.000 0.333 238 Y C -2.195 173.803 175.900 0.163 0.000 1.119 238 Y CA -2.748 55.446 58.100 0.156 0.000 1.143 238 Y CB 0.725 39.345 38.460 0.266 0.000 1.230 238 Y HN -0.506 7.865 8.280 0.153 0.000 0.469 239 P HA 0.059 4.663 4.420 0.308 0.000 0.276 239 P C -1.979 175.539 177.300 0.363 0.000 1.243 239 P CA 0.002 63.263 63.100 0.269 0.000 0.768 239 P CB 0.435 32.200 31.700 0.108 0.000 0.856 240 A N 2.983 126.122 122.820 0.533 0.000 2.423 240 A HA 0.990 5.856 4.320 0.564 -0.208 0.304 240 A C -2.239 175.635 177.584 0.485 0.000 1.104 240 A CA -2.197 50.176 52.037 0.560 0.000 0.757 240 A CB 4.353 23.675 19.000 0.536 0.000 1.313 240 A HN 0.044 8.507 8.150 0.522 0.000 0.423 241 A N -1.516 121.472 122.820 0.280 0.000 2.606 241 A HA 0.448 4.761 4.320 -0.011 0.000 0.293 241 A C -2.814 174.740 177.584 -0.050 0.000 1.082 241 A CA -0.351 51.652 52.037 -0.057 0.000 0.685 241 A CB 3.838 22.456 19.000 -0.637 0.000 1.284 241 A HN 0.207 8.567 8.150 0.350 0.000 0.408 242 M N 1.057 120.598 119.600 -0.099 0.000 2.073 242 M HA 0.871 5.501 4.480 -0.056 -0.185 0.261 242 M C -2.831 173.456 176.300 -0.021 0.000 0.928 242 M CA -2.904 52.324 55.300 -0.119 0.000 1.006 242 M CB 3.944 36.301 32.600 -0.404 0.000 1.893 242 M HN 0.525 8.775 8.290 -0.066 0.000 0.440 243 P HA 0.131 4.258 4.420 -0.488 0.000 0.276 243 P C -2.181 175.199 177.300 0.133 0.000 1.253 243 P CA -0.364 62.637 63.100 -0.164 0.000 0.766 243 P CB -0.392 31.197 31.700 -0.185 0.000 0.845 244 F N 5.162 125.077 119.950 -0.059 0.000 2.556 244 F HA 0.461 4.885 4.527 -0.172 0.000 0.327 244 F C -0.381 175.428 175.800 0.016 0.000 1.059 244 F CA -3.330 54.628 58.000 -0.070 0.000 0.953 244 F CB 4.719 43.708 39.000 -0.018 0.000 1.227 244 F HN 0.195 8.544 8.300 0.082 0.000 0.478 245 E N 0.980 120.655 120.200 -0.876 0.000 2.268 245 E HA -0.298 3.896 4.350 -0.261 0.000 0.195 245 E C -0.958 175.623 176.600 -0.033 0.000 0.995 245 E CA 2.655 58.791 56.400 -0.439 0.000 0.836 245 E CB 0.391 29.793 29.700 -0.498 0.000 0.763 245 E HN 0.134 7.555 8.360 -1.564 0.000 0.491 246 S N -4.902 110.707 115.700 -0.151 0.000 2.655 246 S HA 0.037 4.575 4.470 0.113 0.000 0.266 246 S C -1.049 173.707 174.600 0.260 0.000 1.149 246 S CA -1.496 56.752 58.200 0.081 0.000 0.818 246 S CB 2.911 66.153 63.200 0.071 0.000 1.130 246 S HN -0.774 7.278 8.310 -0.351 0.047 0.476 247 K N -0.567 119.977 120.400 0.240 0.000 2.440 247 K HA -0.067 4.462 4.320 0.348 0.000 0.270 247 K C 1.114 177.965 176.600 0.418 0.000 0.980 247 K CA -0.082 56.390 56.287 0.309 0.000 0.953 247 K CB -0.086 32.540 32.500 0.210 0.000 0.925 247 K HN 0.008 8.364 8.250 0.176 0.000 0.497 248 F N 4.114 124.254 119.950 0.317 0.000 2.171 248 F HA -0.339 4.558 4.527 0.617 0.000 0.300 248 F C 1.745 177.662 175.800 0.195 0.000 1.090 248 F CA 3.743 61.964 58.000 0.368 0.000 1.293 248 F CB 0.471 39.609 39.000 0.231 0.000 1.013 248 F HN 0.517 9.491 8.300 0.539 -0.351 0.486 249 N N -2.290 116.507 118.700 0.161 0.000 2.550 249 N HA -0.206 4.471 4.740 -0.106 0.000 0.186 249 N C 0.108 175.547 175.510 -0.118 0.000 1.110 249 N CA 1.916 54.951 53.050 -0.025 0.000 0.912 249 N CB 0.142 38.664 38.487 0.059 0.000 0.968 249 N HN 0.087 8.626 8.380 0.264 0.000 0.448 250 D N -2.130 118.245 120.400 -0.041 0.000 2.431 250 D HA 0.234 4.857 4.640 -0.029 0.000 0.213 250 D C -0.973 175.357 176.300 0.051 0.000 1.130 250 D CA -0.910 53.093 54.000 0.004 0.000 0.834 250 D CB 0.790 41.635 40.800 0.075 0.000 0.985 250 D HN -0.495 7.703 8.370 0.040 0.196 0.504 251 Y N -1.027 119.264 120.300 -0.016 0.000 2.335 251 Y HA 0.062 4.607 4.550 -0.008 0.000 0.348 251 Y C -0.522 175.231 175.900 -0.246 0.000 1.280 251 Y CA -2.146 55.911 58.100 -0.072 0.000 1.504 251 Y CB -0.030 38.403 38.460 -0.045 0.000 1.366 251 Y HN -1.031 7.110 8.280 -0.231 0.000 0.621 252 N N 1.234 119.831 118.700 -0.171 0.000 2.315 252 N HA -0.138 3.428 4.740 -1.958 0.000 0.270 252 N C 0.052 175.364 175.510 -0.330 0.000 1.329 252 N CA -0.427 52.120 53.050 -0.840 0.000 0.860 252 N CB 0.743 38.886 38.487 -0.574 0.000 1.095 252 N HN -0.261 8.405 8.380 -0.026 -0.302 0.487 253 P HA 0.196 4.513 4.420 -0.172 0.000 0.245 253 P C -0.830 176.397 177.300 -0.121 0.000 1.212 253 P CA 1.007 63.991 63.100 -0.193 0.000 0.774 253 P CB 0.379 31.981 31.700 -0.164 0.000 0.999 254 R N -3.933 116.488 120.500 -0.131 0.000 2.437 254 R HA 0.167 4.479 4.340 -0.047 0.000 0.257 254 R C -0.860 175.420 176.300 -0.034 0.000 0.927 254 R CA -0.856 55.203 56.100 -0.070 0.000 1.078 254 R CB 0.393 30.654 30.300 -0.065 0.000 1.161 254 R HN -0.244 7.826 8.270 -0.197 0.082 0.529 255 I N -4.618 115.924 120.570 -0.046 0.000 2.892 255 I HA -0.162 4.022 4.170 0.023 0.000 0.287 255 I C 0.104 176.261 176.117 0.067 0.000 1.205 255 I CA 1.032 62.321 61.300 -0.019 0.000 1.409 255 I CB 0.146 38.068 38.000 -0.131 0.000 1.367 255 I HN -0.878 7.295 8.210 -0.062 0.000 0.597 256 H N -2.157 116.928 119.070 0.027 0.000 2.899 256 H HA -0.401 4.413 4.556 0.035 -0.237 0.282 256 H C -0.658 174.678 175.328 0.013 0.000 1.198 256 H CA 0.427 56.492 56.048 0.029 0.000 1.140 256 H CB -2.417 27.368 29.762 0.038 0.000 1.317 256 H HN 0.833 9.305 8.280 0.319 0.000 0.375 257 T N -5.779 108.842 114.554 0.113 0.000 2.838 257 T HA 0.443 4.822 4.350 0.048 0.000 0.292 257 T C 0.797 175.518 174.700 0.034 0.000 1.113 257 T CA -2.691 59.441 62.100 0.054 0.000 1.008 257 T CB 2.197 71.085 68.868 0.033 0.000 1.259 257 T HN -0.855 7.412 8.240 0.112 0.040 0.520 258 T N -4.351 110.213 114.554 0.017 0.000 3.025 258 T HA -0.153 4.405 4.350 0.010 -0.201 0.270 258 T C 0.675 175.381 174.700 0.009 0.000 1.126 258 T CA 1.598 63.704 62.100 0.010 0.000 1.105 258 T CB -0.046 68.823 68.868 0.002 0.000 0.884 258 T HN 0.345 8.593 8.240 0.014 0.000 0.522 259 Q N -0.956 118.849 119.800 0.009 0.000 2.198 259 Q HA 0.232 4.575 4.340 0.004 0.000 0.209 259 Q C -1.117 174.885 176.000 0.003 0.000 0.848 259 Q CA -1.573 54.232 55.803 0.004 0.000 0.974 259 Q CB 0.294 29.032 28.738 -0.000 0.000 1.115 259 Q HN -0.674 7.522 8.270 0.012 0.080 0.494 260 D N 2.233 122.640 120.400 0.010 0.000 2.545 260 D HA -0.018 4.617 4.640 -0.008 0.000 0.227 260 D C -1.154 175.153 176.300 0.012 0.000 1.150 260 D CA -0.515 53.489 54.000 0.008 0.000 1.046 260 D CB -1.333 39.483 40.800 0.027 0.000 1.098 260 D HN -0.667 7.714 8.370 0.018 0.000 0.502 261 T N -1.379 113.180 114.554 0.009 0.000 2.950 261 T HA 0.585 5.079 4.350 0.009 -0.139 0.288 261 T C 0.356 175.067 174.700 0.018 0.000 1.035 261 T CA -3.223 58.884 62.100 0.011 0.000 1.028 261 T CB 3.767 72.639 68.868 0.007 0.000 1.109 261 T HN -0.497 7.707 8.240 0.007 0.039 0.514 262 L N 1.243 122.476 121.223 0.016 0.000 2.079 262 L HA -0.318 4.040 4.340 0.030 0.000 0.210 262 L C 1.639 178.527 176.870 0.031 0.000 1.081 262 L CA 2.750 57.605 54.840 0.025 0.000 0.752 262 L CB -0.164 41.907 42.059 0.019 0.000 0.896 262 L HN 0.319 8.871 8.230 0.010 -0.316 0.433 263 A N -2.890 119.944 122.820 0.023 0.000 1.972 263 A HA -0.272 4.063 4.320 0.024 0.000 0.219 263 A C 1.099 178.706 177.584 0.038 0.000 1.169 263 A CA 2.522 54.575 52.037 0.025 0.000 0.635 263 A CB -0.677 18.333 19.000 0.016 0.000 0.810 263 A HN 0.246 8.393 8.150 0.017 0.013 0.446 264 N N -4.072 114.655 118.700 0.045 0.000 2.412 264 N HA 0.042 4.826 4.740 0.073 0.000 0.184 264 N C -0.287 175.302 175.510 0.130 0.000 1.101 264 N CA 0.660 53.751 53.050 0.067 0.000 0.881 264 N CB 0.432 38.939 38.487 0.033 0.000 0.969 264 N HN -0.401 7.877 8.380 0.035 0.123 0.459 265 S N -0.900 114.868 115.700 0.114 0.000 2.301 265 S HA 0.017 4.658 4.470 0.284 0.000 0.245 265 S C -1.116 173.545 174.600 0.101 0.000 1.191 265 S CA 0.410 58.706 58.200 0.160 0.000 1.032 265 S CB 1.820 65.079 63.200 0.099 0.000 1.104 265 S HN -0.701 7.499 8.310 0.077 0.155 0.453 266 D N 0.359 120.801 120.400 0.070 0.000 2.467 266 D HA 0.442 5.092 4.640 0.016 0.000 0.220 266 D C -0.556 175.770 176.300 0.043 0.000 1.103 266 D CA -3.255 50.767 54.000 0.038 0.000 0.886 266 D CB 0.496 41.322 40.800 0.043 0.000 1.025 266 D HN -0.346 8.076 8.370 0.086 0.000 0.514 267 P HA -0.072 4.368 4.420 0.033 0.000 0.234 267 P C 0.073 177.390 177.300 0.029 0.000 1.167 267 P CA 0.995 64.113 63.100 0.030 0.000 0.763 267 P CB 0.062 31.776 31.700 0.022 0.000 0.835 268 T N -6.278 108.293 114.554 0.029 0.000 3.067 268 T HA -0.089 4.277 4.350 0.027 0.000 0.261 268 T C 1.225 175.950 174.700 0.041 0.000 1.110 268 T CA 0.455 62.573 62.100 0.030 0.000 1.113 268 T CB 0.818 69.700 68.868 0.023 0.000 0.917 268 T HN -0.542 7.878 8.240 0.026 -0.164 0.499 269 G N 1.703 110.536 108.800 0.054 0.000 2.155 269 G HA2 -0.410 3.733 3.960 0.076 0.000 0.257 269 G HA3 -0.410 3.586 3.960 0.060 0.000 0.257 269 G C 0.732 175.682 174.900 0.082 0.000 0.983 269 G CA 1.010 46.151 45.100 0.068 0.000 0.676 269 G HN -0.191 7.969 8.290 0.053 0.161 0.528 270 S N 1.115 116.864 115.700 0.082 0.000 2.382 270 S HA -0.409 4.102 4.470 0.068 0.000 0.228 270 S C 0.884 175.569 174.600 0.143 0.000 1.027 270 S CA 3.876 62.128 58.200 0.086 0.000 0.991 270 S CB 0.090 63.330 63.200 0.066 0.000 0.823 270 S HN -0.713 7.687 8.310 0.071 -0.047 0.469 271 H N 2.271 121.375 119.070 0.057 0.000 2.299 271 H HA -0.252 4.368 4.556 0.107 0.000 0.302 271 H C 2.062 177.525 175.328 0.226 0.000 1.078 271 H CA 3.200 59.318 56.048 0.115 0.000 1.323 271 H CB 0.100 29.908 29.762 0.075 0.000 1.381 271 H HN -0.676 7.954 8.280 0.223 -0.217 0.498 272 A N -1.192 121.728 122.820 0.167 0.000 1.978 272 A HA -0.238 4.316 4.320 0.142 -0.149 0.220 272 A C 1.682 179.355 177.584 0.149 0.000 1.170 272 A CA 2.863 54.981 52.037 0.135 0.000 0.636 272 A CB -0.713 18.332 19.000 0.075 0.000 0.810 272 A HN -0.373 8.107 8.150 0.177 -0.224 0.448 273 K N -2.008 118.451 120.400 0.099 0.000 2.103 273 K HA -0.362 3.995 4.320 0.062 0.000 0.207 273 K C 1.863 178.478 176.600 0.024 0.000 1.048 273 K CA 3.385 59.708 56.287 0.060 0.000 0.930 273 K CB -0.228 32.300 32.500 0.045 0.000 0.716 273 K HN -0.193 8.097 8.250 0.099 0.020 0.444 274 K N -1.707 118.679 120.400 -0.024 0.000 2.026 274 K HA -0.326 3.913 4.320 -0.134 0.000 0.208 274 K C 2.633 179.066 176.600 -0.280 0.000 1.048 274 K CA 3.054 59.230 56.287 -0.185 0.000 0.929 274 K CB -0.251 32.040 32.500 -0.349 0.000 0.713 274 K HN -0.672 7.564 8.250 0.009 0.019 0.439 275 F N -2.106 117.760 119.950 -0.140 0.000 2.186 275 F HA -0.223 4.226 4.527 -0.130 0.000 0.299 275 F C 2.273 178.045 175.800 -0.047 0.000 1.090 275 F CA 3.818 61.747 58.000 -0.118 0.000 1.307 275 F CB -0.499 38.415 39.000 -0.145 0.000 1.019 275 F HN -0.714 7.629 8.300 0.072 0.000 0.489 276 T N 2.654 117.284 114.554 0.126 0.000 2.746 276 T HA -0.504 3.911 4.350 0.108 0.000 0.267 276 T C 1.803 176.532 174.700 0.048 0.000 1.039 276 T CA 5.302 67.455 62.100 0.088 0.000 1.142 276 T CB -0.343 68.569 68.868 0.073 0.000 0.866 276 T HN -0.226 8.099 8.240 0.140 0.000 0.444 277 Q N 1.298 121.104 119.800 0.011 0.000 2.084 277 Q HA -0.315 4.026 4.340 0.002 0.000 0.202 277 Q C 2.454 178.449 176.000 -0.008 0.000 0.978 277 Q CA 3.203 59.002 55.803 -0.007 0.000 0.844 277 Q CB -0.068 28.657 28.738 -0.022 0.000 0.898 277 Q HN -0.314 7.958 8.270 0.003 0.000 0.426 278 L N 0.287 121.492 121.223 -0.030 0.000 2.046 278 L HA -0.349 3.993 4.340 0.002 0.000 0.208 278 L C 1.539 178.457 176.870 0.079 0.000 1.077 278 L CA 3.007 57.842 54.840 -0.008 0.000 0.747 278 L CB -0.518 41.489 42.059 -0.087 0.000 0.896 278 L HN -0.214 7.975 8.230 -0.067 0.000 0.432 279 G N -2.165 106.695 108.800 0.099 0.000 2.422 279 G HA2 -0.375 3.720 3.960 0.225 0.000 0.218 279 G HA3 -0.375 3.691 3.960 0.178 0.000 0.218 279 G C 0.958 175.994 174.900 0.227 0.000 1.146 279 G CA 2.175 47.390 45.100 0.192 0.000 0.769 279 G HN -0.119 8.216 8.290 0.074 0.000 0.547 280 L N 1.689 122.982 121.223 0.115 0.000 2.027 280 L HA -0.220 4.161 4.340 0.067 0.000 0.206 280 L C 1.432 178.312 176.870 0.016 0.000 1.074 280 L CA 2.381 57.256 54.840 0.059 0.000 0.745 280 L CB -0.569 41.504 42.059 0.025 0.000 0.898 280 L HN -0.290 7.993 8.230 0.088 0.000 0.433 281 A N -0.955 121.858 122.820 -0.012 0.000 1.908 281 A HA -0.381 3.805 4.320 -0.223 0.000 0.218 281 A C 1.696 179.317 177.584 0.062 0.000 1.181 281 A CA 3.112 55.092 52.037 -0.096 0.000 0.627 281 A CB -1.133 17.789 19.000 -0.131 0.000 0.818 281 A HN -0.212 7.938 8.150 -0.000 0.000 0.445 282 Y N 0.119 120.452 120.300 0.054 0.000 2.128 282 Y HA -0.492 4.192 4.550 0.224 0.000 0.284 282 Y C 1.271 177.253 175.900 0.136 0.000 1.154 282 Y CA 2.998 61.193 58.100 0.159 0.000 1.149 282 Y CB -0.165 38.413 38.460 0.196 0.000 0.976 282 Y HN -0.290 8.161 8.280 0.285 0.000 0.505 283 A N -1.258 121.527 122.820 -0.058 0.000 1.902 283 A HA -0.389 3.700 4.320 -0.385 0.000 0.217 283 A C 2.023 179.577 177.584 -0.050 0.000 1.181 283 A CA 2.983 54.921 52.037 -0.166 0.000 0.623 283 A CB -0.570 18.426 19.000 -0.006 0.000 0.818 283 A HN -0.323 7.913 8.150 0.143 0.000 0.443 284 I N -1.775 118.750 120.570 -0.075 0.000 2.142 284 I HA -0.570 3.636 4.170 0.061 0.000 0.240 284 I C 2.184 178.319 176.117 0.030 0.000 1.078 284 I CA 4.320 65.598 61.300 -0.037 0.000 1.343 284 I CB -0.109 37.774 38.000 -0.196 0.000 1.046 284 I HN -0.279 7.879 8.210 -0.086 0.000 0.405 285 E N -1.376 118.836 120.200 0.019 0.000 2.047 285 E HA -0.338 4.053 4.350 0.068 0.000 0.191 285 E C 2.680 179.311 176.600 0.052 0.000 0.987 285 E CA 2.891 59.342 56.400 0.086 0.000 0.799 285 E CB -0.097 29.736 29.700 0.222 0.000 0.752 285 E HN -0.380 7.985 8.360 0.009 0.000 0.449 286 M N -2.430 117.157 119.600 -0.022 0.000 2.254 286 M HA -0.062 4.364 4.480 -0.090 0.000 0.265 286 M C 2.715 178.934 176.300 -0.135 0.000 1.066 286 M CA 1.641 56.861 55.300 -0.132 0.000 1.123 286 M CB -0.678 31.731 32.600 -0.318 0.000 1.388 286 M HN 0.155 8.418 8.290 -0.045 0.000 0.425 287 G N -1.859 106.892 108.800 -0.081 0.000 2.443 287 G HA2 -0.276 3.615 3.960 -0.116 0.000 0.219 287 G HA3 -0.276 3.820 3.960 0.083 -0.086 0.219 287 G C 0.938 175.805 174.900 -0.055 0.000 1.131 287 G CA 2.026 47.102 45.100 -0.039 0.000 0.775 287 G HN -0.060 8.191 8.290 -0.064 0.000 0.547 288 S N 1.170 116.866 115.700 -0.007 0.000 2.486 288 S HA -0.028 4.414 4.470 -0.047 0.000 0.220 288 S C -0.875 173.700 174.600 -0.043 0.000 1.011 288 S CA 1.564 59.751 58.200 -0.023 0.000 0.921 288 S CB 0.584 63.792 63.200 0.014 0.000 0.785 288 S HN -0.714 7.569 8.310 0.017 0.038 0.517 289 A N 0.751 123.543 122.820 -0.046 0.000 2.332 289 A HA 0.017 4.312 4.320 -0.042 0.000 0.258 289 A C -1.650 175.888 177.584 -0.078 0.000 1.087 289 A CA 0.209 52.214 52.037 -0.054 0.000 0.802 289 A CB 0.867 19.835 19.000 -0.054 0.000 1.042 289 A HN -0.831 7.294 8.150 -0.042 0.000 0.489 290 T N -3.749 110.764 114.554 -0.069 0.000 2.909 290 T HA 0.227 4.643 4.350 -0.088 -0.119 0.299 290 T C -0.744 173.920 174.700 -0.060 0.000 1.073 290 T CA -2.152 59.903 62.100 -0.074 0.000 0.999 290 T CB 2.508 71.333 68.868 -0.072 0.000 1.098 290 T HN -0.396 7.809 8.240 -0.058 0.000 0.477 291 G N 0.000 108.765 108.800 -0.058 0.000 5.446 291 G HA2 0.000 nan 3.960 nan 0.000 0.244 291 G HA3 0.000 3.936 3.960 -0.040 0.000 0.244 291 G CA 0.000 45.074 45.100 -0.044 0.000 0.502 291 G HN 0.000 8.669 8.290 -0.064 -0.417 0.925