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 1ge9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKELEDIFK EAEKDMKKAV EYYKNEIAGL RTSRASTALV EEIKVEYYGS DATA SEQUENCE KVPIKQLGTI SVPEHNQIVI QVWDQNAVPA IEKAIREELN LNPTVQGNVI DATA SEQUENCE RVTLPPLTEE RRRELVRLLH KITEEARVRV RNVRREAKEM IEELEGISED DATA SEQUENCE EKKRALERLQ KLTDKYIDEI NKLMEAKEKE IMSV 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 4.486 4.480 0.010 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.308 55.300 0.014 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 I N -0.020 120.557 120.570 0.012 0.000 2.412 2 I HA 0.441 5.001 4.170 0.014 -0.382 0.279 2 I C -1.494 174.631 176.117 0.015 0.000 1.063 2 I CA -0.924 60.383 61.300 0.012 0.000 1.193 2 I CB -1.043 36.960 38.000 0.005 0.000 1.370 2 I HN 0.123 8.339 8.210 0.010 0.000 0.479 3 K N 6.055 126.467 120.400 0.021 0.000 1.956 3 K HA 0.363 4.693 4.320 0.017 0.000 0.245 3 K C 0.019 176.635 176.600 0.027 0.000 1.015 3 K CA -2.363 53.936 56.287 0.021 0.000 0.864 3 K CB 2.714 35.227 32.500 0.021 0.000 1.570 3 K HN -0.166 8.141 8.250 0.026 -0.041 0.577 4 E N 1.459 121.674 120.200 0.026 0.000 2.333 4 E HA -0.254 4.267 4.350 0.028 -0.154 0.198 4 E C 1.867 178.492 176.600 0.042 0.000 1.007 4 E CA 2.228 58.646 56.400 0.029 0.000 0.845 4 E CB -0.306 29.408 29.700 0.023 0.000 0.766 4 E HN 0.271 8.747 8.360 0.022 -0.103 0.507 5 L N -0.295 120.957 121.223 0.049 0.000 2.043 5 L HA -0.376 4.002 4.340 0.062 0.000 0.212 5 L C 1.357 178.294 176.870 0.112 0.000 1.075 5 L CA 3.576 58.460 54.840 0.073 0.000 0.752 5 L CB -0.142 41.962 42.059 0.076 0.000 0.891 5 L HN -0.615 7.735 8.230 0.041 -0.096 0.432 6 E N -1.918 118.336 120.200 0.090 0.000 2.130 6 E HA -0.446 3.975 4.350 0.118 0.000 0.196 6 E C 2.273 178.933 176.600 0.101 0.000 0.998 6 E CA 3.986 60.439 56.400 0.089 0.000 0.806 6 E CB -0.677 29.044 29.700 0.035 0.000 0.738 6 E HN -0.403 7.996 8.360 0.065 0.000 0.459 7 D N -1.466 118.978 120.400 0.075 0.000 2.178 7 D HA -0.163 4.514 4.640 0.062 0.000 0.202 7 D C 2.111 178.461 176.300 0.083 0.000 0.974 7 D CA 3.190 57.230 54.000 0.066 0.000 0.841 7 D CB -0.265 40.561 40.800 0.044 0.000 0.953 7 D HN -0.391 7.913 8.370 0.061 0.102 0.478 8 I N -0.411 120.212 120.570 0.088 0.000 2.252 8 I HA -0.357 4.012 4.170 0.048 -0.170 0.245 8 I C 1.589 177.769 176.117 0.104 0.000 1.102 8 I CA 0.915 62.256 61.300 0.070 0.000 1.385 8 I CB -1.223 36.800 38.000 0.039 0.000 1.064 8 I HN -0.616 7.507 8.210 0.088 0.139 0.414 9 F N 1.718 121.674 119.950 0.010 0.000 2.113 9 F HA -0.488 4.047 4.527 0.012 0.000 0.297 9 F C 1.585 177.392 175.800 0.011 0.000 1.103 9 F CA 3.232 61.239 58.000 0.011 0.000 1.248 9 F CB -0.078 38.927 39.000 0.008 0.000 0.999 9 F HN 0.281 8.743 8.300 0.271 0.000 0.475 10 K N -0.121 120.455 120.400 0.292 0.000 2.063 10 K HA -0.374 4.043 4.320 0.161 0.000 0.208 10 K C 2.342 179.020 176.600 0.129 0.000 1.048 10 K CA 3.159 59.544 56.287 0.162 0.000 0.928 10 K CB -0.206 32.343 32.500 0.082 0.000 0.713 10 K HN -0.038 8.363 8.250 0.252 0.000 0.442 11 E N -2.229 118.035 120.200 0.106 0.000 2.072 11 E HA -0.204 4.185 4.350 0.066 0.000 0.190 11 E C 2.261 178.903 176.600 0.069 0.000 0.982 11 E CA 2.704 59.147 56.400 0.073 0.000 0.803 11 E CB -0.453 29.279 29.700 0.053 0.000 0.755 11 E HN -0.284 8.144 8.360 0.113 0.000 0.453 12 A N 0.217 123.076 122.820 0.065 0.000 1.969 12 A HA -0.282 4.054 4.320 0.026 0.000 0.218 12 A C 1.866 179.484 177.584 0.056 0.000 1.169 12 A CA 2.964 55.018 52.037 0.029 0.000 0.635 12 A CB -0.571 18.397 19.000 -0.053 0.000 0.810 12 A HN 0.299 8.388 8.150 0.079 0.108 0.445 13 E N -1.078 119.197 120.200 0.125 0.000 2.028 13 E HA -0.318 4.103 4.350 0.119 0.000 0.190 13 E C 1.920 178.577 176.600 0.095 0.000 0.984 13 E CA 3.235 59.724 56.400 0.148 0.000 0.800 13 E CB -0.019 29.840 29.700 0.264 0.000 0.758 13 E HN 0.280 8.641 8.360 0.178 0.105 0.448 14 K N -1.536 118.918 120.400 0.090 0.000 2.152 14 K HA -0.329 4.028 4.320 0.061 0.000 0.206 14 K C 2.573 179.216 176.600 0.072 0.000 1.048 14 K CA 3.231 59.560 56.287 0.070 0.000 0.933 14 K CB -0.171 32.368 32.500 0.064 0.000 0.721 14 K HN -0.605 7.707 8.250 0.104 0.000 0.447 15 D N -0.557 119.887 120.400 0.074 0.000 2.103 15 D HA -0.168 4.522 4.640 0.083 0.000 0.199 15 D C 2.519 178.879 176.300 0.099 0.000 0.978 15 D CA 3.062 57.110 54.000 0.081 0.000 0.829 15 D CB 0.146 40.987 40.800 0.068 0.000 0.981 15 D HN -0.543 7.852 8.370 0.073 0.018 0.464 16 M N -0.719 118.934 119.600 0.088 0.000 2.123 16 M HA -0.399 4.192 4.480 0.186 0.000 0.263 16 M C 2.055 178.342 176.300 -0.021 0.000 1.069 16 M CA 3.072 58.424 55.300 0.087 0.000 1.133 16 M CB -0.456 32.192 32.600 0.080 0.000 1.356 16 M HN -0.319 8.016 8.290 0.075 0.000 0.415 17 K N -0.720 119.677 120.400 -0.004 0.000 2.032 17 K HA -0.422 3.851 4.320 -0.078 0.000 0.209 17 K C 2.558 179.146 176.600 -0.022 0.000 1.048 17 K CA 4.142 60.410 56.287 -0.032 0.000 0.927 17 K CB -0.352 32.148 32.500 0.000 0.000 0.712 17 K HN 0.511 8.671 8.250 0.030 0.108 0.441 18 K N -2.343 118.085 120.400 0.048 0.000 2.148 18 K HA -0.234 4.121 4.320 0.060 0.000 0.204 18 K C 2.250 178.980 176.600 0.217 0.000 1.050 18 K CA 3.226 59.591 56.287 0.129 0.000 0.942 18 K CB -0.203 32.413 32.500 0.192 0.000 0.724 18 K HN -0.621 7.665 8.250 0.060 0.000 0.446 19 A N -0.336 122.582 122.820 0.162 0.000 1.872 19 A HA -0.244 4.247 4.320 0.285 0.000 0.214 19 A C 2.002 179.697 177.584 0.185 0.000 1.187 19 A CA 3.234 55.414 52.037 0.240 0.000 0.614 19 A CB -0.593 18.625 19.000 0.365 0.000 0.826 19 A HN -0.623 7.482 8.150 0.116 0.115 0.442 20 V N -4.852 114.952 119.914 -0.183 0.000 2.453 20 V HA -0.466 3.615 4.120 -0.065 0.000 0.247 20 V C 1.871 177.969 176.094 0.007 0.000 1.048 20 V CA 3.481 65.633 62.300 -0.247 0.000 1.049 20 V CB -0.475 30.997 31.823 -0.585 0.000 0.672 20 V HN 0.063 8.090 8.190 -0.270 0.000 0.457 21 E N 0.978 121.151 120.200 -0.045 0.000 2.051 21 E HA -0.362 3.927 4.350 -0.102 0.000 0.192 21 E C 2.687 179.238 176.600 -0.081 0.000 0.991 21 E CA 3.582 59.921 56.400 -0.103 0.000 0.799 21 E CB -0.137 29.447 29.700 -0.193 0.000 0.748 21 E HN -0.297 8.025 8.360 -0.064 0.000 0.449 22 Y N -1.907 118.422 120.300 0.047 0.000 2.263 22 Y HA -0.328 4.239 4.550 0.029 0.000 0.292 22 Y C 2.140 178.098 175.900 0.097 0.000 1.130 22 Y CA 3.310 61.447 58.100 0.061 0.000 1.179 22 Y CB -0.022 38.482 38.460 0.073 0.000 0.998 22 Y HN -0.469 7.900 8.280 0.148 0.000 0.532 23 Y N 0.527 120.940 120.300 0.188 0.000 2.145 23 Y HA -0.399 4.242 4.550 0.152 0.000 0.286 23 Y C 1.409 177.366 175.900 0.095 0.000 1.145 23 Y CA 2.310 60.500 58.100 0.151 0.000 1.148 23 Y CB 0.063 38.646 38.460 0.205 0.000 0.981 23 Y HN -0.198 8.328 8.280 0.410 0.000 0.507 24 K N -2.370 117.855 120.400 -0.293 0.000 2.147 24 K HA -0.472 3.446 4.320 -0.669 0.000 0.205 24 K C 2.456 178.933 176.600 -0.205 0.000 1.049 24 K CA 3.166 59.223 56.287 -0.383 0.000 0.936 24 K CB -0.754 31.624 32.500 -0.203 0.000 0.722 24 K HN 0.078 8.315 8.250 -0.022 0.000 0.446 25 N N -0.615 118.029 118.700 -0.094 0.000 2.223 25 N HA -0.240 4.461 4.740 -0.064 0.000 0.185 25 N C 2.282 177.777 175.510 -0.025 0.000 1.016 25 N CA 3.297 56.322 53.050 -0.043 0.000 0.863 25 N CB -0.134 38.359 38.487 0.010 0.000 0.983 25 N HN -0.272 7.959 8.380 -0.054 0.117 0.429 26 E N -0.395 119.795 120.200 -0.017 0.000 2.112 26 E HA -0.193 4.166 4.350 0.016 0.000 0.190 26 E C 2.116 178.684 176.600 -0.054 0.000 0.979 26 E CA 2.913 59.310 56.400 -0.005 0.000 0.814 26 E CB 0.080 29.808 29.700 0.046 0.000 0.762 26 E HN -0.646 7.568 8.360 -0.019 0.135 0.460 27 I N -2.014 118.475 120.570 -0.134 0.000 2.716 27 I HA -0.254 3.863 4.170 -0.088 0.000 0.259 27 I C 0.917 176.970 176.117 -0.106 0.000 1.172 27 I CA 2.540 63.758 61.300 -0.137 0.000 1.478 27 I CB -0.114 37.744 38.000 -0.237 0.000 1.104 27 I HN -0.766 7.232 8.210 -0.206 0.088 0.439 28 A N -2.118 120.637 122.820 -0.108 0.000 2.066 28 A HA 0.011 4.284 4.320 -0.079 0.000 0.218 28 A C 0.839 178.389 177.584 -0.057 0.000 1.157 28 A CA 2.099 54.088 52.037 -0.080 0.000 0.670 28 A CB 0.446 19.397 19.000 -0.081 0.000 0.804 28 A HN 0.317 8.288 8.150 -0.127 0.102 0.453 29 G N -4.464 104.307 108.800 -0.047 0.000 3.441 29 G HA2 0.217 4.229 3.960 -0.034 0.000 0.263 29 G HA3 0.217 4.133 3.960 -0.025 0.029 0.263 29 G C -0.632 174.253 174.900 -0.026 0.000 1.014 29 G CA -0.926 44.155 45.100 -0.032 0.000 0.833 29 G HN -0.678 7.550 8.290 -0.051 0.031 0.514 30 L N -0.184 121.020 121.223 -0.031 0.000 2.473 30 L HA -0.229 4.103 4.340 -0.015 0.000 0.280 30 L C 0.350 177.205 176.870 -0.024 0.000 1.266 30 L CA 0.498 55.324 54.840 -0.024 0.000 0.824 30 L CB 1.035 43.077 42.059 -0.028 0.000 1.091 30 L HN -0.727 7.370 8.230 -0.041 0.108 0.534 31 R N 0.052 120.540 120.500 -0.020 0.000 4.164 31 R HA -0.011 4.317 4.340 -0.020 0.000 0.195 31 R C -1.026 175.259 176.300 -0.025 0.000 1.712 31 R CA -1.399 54.689 56.100 -0.020 0.000 1.457 31 R CB -2.748 27.543 30.300 -0.014 0.000 1.387 31 R HN 0.246 8.506 8.270 -0.016 0.000 0.785 32 T N 5.207 119.743 114.554 -0.030 0.000 2.853 32 T HA -0.034 4.293 4.350 -0.037 0.000 0.298 32 T C 0.636 175.317 174.700 -0.032 0.000 0.978 32 T CA 0.484 62.562 62.100 -0.035 0.000 1.152 32 T CB 0.759 69.602 68.868 -0.043 0.000 0.914 32 T HN -0.237 7.933 8.240 -0.031 0.052 0.539 33 S N 2.365 118.047 115.700 -0.030 0.000 2.507 33 S HA -0.286 4.172 4.470 -0.020 0.000 0.235 33 S C 0.174 174.758 174.600 -0.026 0.000 0.988 33 S CA 1.650 59.836 58.200 -0.024 0.000 0.944 33 S CB 0.159 63.346 63.200 -0.021 0.000 0.762 33 S HN 0.235 8.526 8.310 -0.033 0.000 0.526 34 R N 0.975 121.453 120.500 -0.037 0.000 2.441 34 R HA -0.094 4.222 4.340 -0.039 0.000 0.284 34 R C -0.939 175.335 176.300 -0.043 0.000 1.070 34 R CA -0.514 55.557 56.100 -0.048 0.000 1.047 34 R CB 0.869 31.124 30.300 -0.075 0.000 1.016 34 R HN -0.630 7.545 8.270 -0.041 0.070 0.477 35 A N 6.669 129.468 122.820 -0.034 0.000 2.899 35 A HA -0.019 4.291 4.320 -0.018 0.000 0.287 35 A C -1.638 175.926 177.584 -0.032 0.000 1.715 35 A CA 0.052 52.078 52.037 -0.020 0.000 1.393 35 A CB -0.985 18.018 19.000 0.005 0.000 1.070 35 A HN 0.327 8.459 8.150 -0.030 0.000 0.587 36 S N 2.904 118.580 115.700 -0.039 0.000 2.482 36 S HA 0.286 4.730 4.470 -0.044 0.000 0.303 36 S C 0.738 175.319 174.600 -0.031 0.000 1.091 36 S CA -1.550 56.624 58.200 -0.044 0.000 1.057 36 S CB 2.796 65.961 63.200 -0.058 0.000 1.031 36 S HN -0.404 7.855 8.310 -0.037 0.028 0.485 37 T N 0.130 114.669 114.554 -0.025 0.000 3.035 37 T HA -0.210 4.126 4.350 -0.023 0.000 0.268 37 T C 0.726 175.408 174.700 -0.029 0.000 1.109 37 T CA 2.180 64.266 62.100 -0.024 0.000 1.119 37 T CB 0.089 68.946 68.868 -0.018 0.000 0.900 37 T HN 0.403 8.629 8.240 -0.023 0.000 0.503 38 A N 0.381 123.182 122.820 -0.033 0.000 1.841 38 A HA -0.135 4.324 4.320 -0.034 -0.160 0.214 38 A C 1.884 179.446 177.584 -0.036 0.000 1.195 38 A CA 1.837 53.853 52.037 -0.035 0.000 0.611 38 A CB -0.535 18.441 19.000 -0.039 0.000 0.835 38 A HN -0.490 7.596 8.150 -0.034 0.043 0.443 39 L N -5.191 116.010 121.223 -0.037 0.000 2.113 39 L HA -0.327 4.164 4.340 -0.037 -0.174 0.221 39 L C 1.632 178.484 176.870 -0.029 0.000 1.084 39 L CA 2.338 57.158 54.840 -0.034 0.000 0.787 39 L CB -1.052 40.988 42.059 -0.032 0.000 0.893 39 L HN -0.290 7.916 8.230 -0.039 0.000 0.440 40 V N -5.057 114.840 119.914 -0.028 0.000 2.458 40 V HA -0.147 4.101 4.120 -0.023 -0.142 0.180 40 V C 0.847 176.924 176.094 -0.028 0.000 1.083 40 V CA 0.091 62.376 62.300 -0.026 0.000 1.279 40 V CB 0.416 32.224 31.823 -0.027 0.000 0.803 40 V HN -0.597 7.564 8.190 -0.029 0.011 0.469 41 E N -2.851 117.331 120.200 -0.031 0.000 4.278 41 E HA -0.265 4.064 4.350 -0.036 0.000 0.339 41 E C -0.896 175.685 176.600 -0.032 0.000 0.624 41 E CA 2.215 58.595 56.400 -0.033 0.000 1.405 41 E CB -0.728 28.952 29.700 -0.033 0.000 1.797 41 E HN 0.197 8.538 8.360 -0.032 0.000 0.400 42 E N -1.325 118.859 120.200 -0.027 0.000 2.939 42 E HA 0.139 4.474 4.350 -0.025 0.000 0.215 42 E C -0.641 175.946 176.600 -0.022 0.000 1.025 42 E CA -0.814 55.572 56.400 -0.023 0.000 1.259 42 E CB 0.362 30.052 29.700 -0.017 0.000 1.228 42 E HN -0.110 8.099 8.360 -0.026 0.135 0.443 43 I N 1.902 122.455 120.570 -0.028 0.000 2.734 43 I HA -0.109 4.046 4.170 -0.025 0.000 0.301 43 I C -0.331 175.770 176.117 -0.027 0.000 1.127 43 I CA -0.898 60.384 61.300 -0.029 0.000 2.292 43 I CB -3.103 34.874 38.000 -0.038 0.000 1.590 43 I HN -0.021 8.098 8.210 -0.032 0.071 1.053 44 K N 5.284 125.673 120.400 -0.018 0.000 2.405 44 K HA -0.264 4.174 4.320 -0.010 -0.124 0.276 44 K C -1.459 175.133 176.600 -0.014 0.000 1.099 44 K CA 0.367 56.647 56.287 -0.012 0.000 1.120 44 K CB -0.601 31.896 32.500 -0.006 0.000 0.877 44 K HN 0.469 8.648 8.250 -0.016 0.062 0.472 45 V N 6.769 126.677 119.914 -0.010 0.000 2.513 45 V HA 0.259 4.361 4.120 -0.030 0.000 0.299 45 V C -1.781 174.314 176.094 0.002 0.000 1.035 45 V CA -2.714 59.574 62.300 -0.020 0.000 0.889 45 V CB 3.188 34.989 31.823 -0.038 0.000 0.988 45 V HN 0.879 8.949 8.190 -0.004 0.117 0.440 46 E N 8.417 128.605 120.200 -0.020 0.000 2.290 46 E HA 0.154 4.747 4.350 0.039 -0.219 0.277 46 E C -1.364 175.227 176.600 -0.015 0.000 1.035 46 E CA 0.202 56.603 56.400 0.001 0.000 0.873 46 E CB 0.621 30.311 29.700 -0.017 0.000 1.029 46 E HN 0.457 8.793 8.360 -0.040 0.000 0.419 47 Y N 6.709 126.973 120.300 -0.060 0.000 2.646 47 Y HA 0.179 4.594 4.550 -0.225 0.000 0.334 47 Y C -1.389 174.517 175.900 0.009 0.000 1.004 47 Y CA -2.064 55.975 58.100 -0.101 0.000 1.301 47 Y CB 1.326 39.760 38.460 -0.043 0.000 1.093 47 Y HN 0.873 9.184 8.280 0.166 0.068 0.530 48 Y N 4.728 125.172 120.300 0.239 0.000 3.589 48 Y HA -0.345 4.268 4.550 0.104 0.000 0.218 48 Y C 0.500 176.463 175.900 0.106 0.000 1.234 48 Y CA 0.564 58.765 58.100 0.168 0.000 1.576 48 Y CB -1.200 37.394 38.460 0.224 0.000 1.487 48 Y HN 0.275 8.426 8.280 -0.215 0.000 0.616 49 G N -3.464 105.451 108.800 0.192 0.000 2.130 49 G HA2 -0.314 3.700 3.960 0.090 0.000 0.216 49 G HA3 -0.314 3.720 3.960 0.122 0.000 0.216 49 G C -1.220 173.743 174.900 0.105 0.000 0.999 49 G CA -0.452 44.722 45.100 0.124 0.000 0.686 49 G HN -0.097 8.266 8.290 0.143 0.013 0.515 50 S N -0.111 115.663 115.700 0.123 0.000 2.557 50 S HA 0.140 4.649 4.470 0.065 0.000 0.291 50 S C -1.484 173.165 174.600 0.081 0.000 1.116 50 S CA -0.594 57.661 58.200 0.091 0.000 0.992 50 S CB 2.177 65.430 63.200 0.089 0.000 1.028 50 S HN -0.331 8.041 8.310 0.155 0.031 0.484 51 K N 6.172 126.602 120.400 0.049 0.000 2.264 51 K HA 0.205 4.696 4.320 0.039 -0.148 0.277 51 K C -0.902 175.715 176.600 0.027 0.000 1.067 51 K CA -0.072 56.236 56.287 0.035 0.000 0.900 51 K CB 0.043 32.556 32.500 0.022 0.000 1.124 51 K HN 0.463 8.737 8.250 0.040 0.000 0.469 52 V N 1.437 121.369 119.914 0.031 0.000 2.971 52 V HA 0.538 4.662 4.120 0.006 0.000 0.309 52 V C -2.432 173.666 176.094 0.007 0.000 1.130 52 V CA -3.786 58.524 62.300 0.017 0.000 0.964 52 V CB 3.455 35.289 31.823 0.019 0.000 1.029 52 V HN 0.263 8.479 8.190 0.042 0.000 0.427 53 P HA 0.077 4.650 4.420 -0.025 -0.168 0.275 53 P C -0.474 176.804 177.300 -0.038 0.000 1.270 53 P CA -0.914 62.170 63.100 -0.025 0.000 0.791 53 P CB 0.729 32.410 31.700 -0.031 0.000 1.089 54 I N -2.657 117.877 120.570 -0.060 0.000 3.832 54 I HA -0.029 4.087 4.170 -0.090 0.000 0.324 54 I C 0.890 176.930 176.117 -0.129 0.000 1.447 54 I CA -1.535 59.706 61.300 -0.098 0.000 1.242 54 I CB -2.205 35.727 38.000 -0.112 0.000 1.212 54 I HN 0.158 8.334 8.210 -0.057 0.000 0.415 55 K N 2.079 122.420 120.400 -0.098 0.000 2.062 55 K HA -0.182 4.074 4.320 -0.105 0.000 0.205 55 K C 0.609 177.128 176.600 -0.134 0.000 1.051 55 K CA 2.711 58.938 56.287 -0.101 0.000 0.941 55 K CB -0.044 32.418 32.500 -0.064 0.000 0.719 55 K HN 0.183 8.286 8.250 -0.072 0.104 0.440 56 Q N -3.265 116.462 119.800 -0.121 0.000 2.141 56 Q HA 0.151 4.395 4.340 -0.160 0.000 0.248 56 Q C -0.402 175.511 176.000 -0.145 0.000 0.834 56 Q CA 0.425 56.154 55.803 -0.124 0.000 1.096 56 Q CB 0.579 29.286 28.738 -0.051 0.000 1.189 56 Q HN 0.045 8.260 8.270 -0.091 0.000 0.471 57 L N -2.806 118.283 121.223 -0.222 0.000 2.519 57 L HA 0.262 4.576 4.340 -0.043 0.000 0.194 57 L C -0.136 176.443 176.870 -0.485 0.000 1.072 57 L CA 0.465 55.196 54.840 -0.182 0.000 0.845 57 L CB 1.569 43.586 42.059 -0.070 0.000 1.138 57 L HN -0.360 7.555 8.230 -0.245 0.168 0.487 58 G N -4.993 103.432 108.800 -0.626 0.000 3.354 58 G HA2 0.408 3.312 3.960 -1.710 0.000 0.174 58 G HA3 0.408 4.191 3.960 -0.524 -0.138 0.174 58 G C -2.105 172.326 174.900 -0.781 0.000 1.140 58 G CA -0.250 44.297 45.100 -0.923 0.000 0.897 58 G HN -0.824 7.204 8.290 -0.438 0.000 0.685 59 T N -0.128 114.204 114.554 -0.369 0.000 3.289 59 T HA 0.260 4.498 4.350 -0.186 0.000 0.370 59 T C -2.187 172.470 174.700 -0.072 0.000 1.546 59 T CA -0.330 61.663 62.100 -0.177 0.000 1.144 59 T CB 1.546 70.378 68.868 -0.060 0.000 1.379 59 T HN -0.045 8.029 8.240 -0.276 0.000 0.478 60 I N 1.853 122.392 120.570 -0.052 0.000 2.436 60 I HA 1.175 5.582 4.170 -0.015 -0.246 0.289 60 I C -2.239 173.875 176.117 -0.005 0.000 1.010 60 I CA -3.293 57.992 61.300 -0.025 0.000 1.098 60 I CB 2.030 40.010 38.000 -0.034 0.000 1.266 60 I HN 0.179 8.352 8.210 -0.062 0.000 0.434 61 S N 5.807 121.513 115.700 0.010 0.000 2.564 61 S HA 0.301 4.781 4.470 0.017 0.000 0.274 61 S C -1.647 172.969 174.600 0.027 0.000 1.124 61 S CA -1.605 56.607 58.200 0.021 0.000 0.869 61 S CB 3.193 66.411 63.200 0.031 0.000 1.105 61 S HN 0.379 8.696 8.310 0.012 0.000 0.472 62 V N 3.784 123.720 119.914 0.037 0.000 2.364 62 V HA 0.304 4.587 4.120 0.043 -0.136 0.272 62 V C -0.495 175.636 176.094 0.061 0.000 1.036 62 V CA -1.682 60.651 62.300 0.055 0.000 0.880 62 V CB 0.209 32.079 31.823 0.078 0.000 0.991 62 V HN 0.608 8.821 8.190 0.038 0.000 0.460 63 P HA 0.060 4.494 4.420 0.024 0.000 0.218 63 P C -0.763 176.548 177.300 0.019 0.000 1.151 63 P CA 1.062 64.179 63.100 0.029 0.000 0.850 63 P CB 0.929 32.643 31.700 0.023 0.000 0.801 64 E N -3.551 116.672 120.200 0.037 0.000 2.789 64 E HA 0.095 4.429 4.350 -0.027 0.000 0.208 64 E C 0.214 176.881 176.600 0.112 0.000 0.988 64 E CA -0.849 55.566 56.400 0.025 0.000 1.092 64 E CB -0.163 29.548 29.700 0.018 0.000 1.066 64 E HN 0.130 8.520 8.360 0.049 0.000 0.465 65 H N -0.991 118.079 119.070 -0.000 0.000 4.988 65 H HA -0.483 4.071 4.556 -0.002 0.000 0.062 65 H C -0.551 174.775 175.328 -0.003 0.000 0.573 65 H CA 2.872 58.919 56.048 -0.002 0.000 0.989 65 H CB -1.169 28.592 29.762 -0.002 0.000 0.461 65 H HN 0.291 8.684 8.280 0.188 0.000 0.781 66 N N 0.842 119.621 118.700 0.131 0.000 2.362 66 N HA -0.053 4.708 4.740 0.035 0.000 0.211 66 N C -1.890 173.643 175.510 0.038 0.000 1.170 66 N CA 0.635 53.719 53.050 0.058 0.000 0.828 66 N CB 0.926 39.442 38.487 0.048 0.000 1.034 66 N HN 0.064 8.450 8.380 0.151 0.084 0.475 67 Q N -2.780 117.046 119.800 0.044 0.000 2.377 67 Q HA 0.615 5.093 4.340 0.019 -0.127 0.279 67 Q C -2.407 173.608 176.000 0.025 0.000 1.049 67 Q CA -1.233 54.587 55.803 0.028 0.000 0.825 67 Q CB 4.056 32.810 28.738 0.027 0.000 1.401 67 Q HN -0.497 7.691 8.270 0.064 0.121 0.404 68 I N 2.515 123.094 120.570 0.014 0.000 2.466 68 I HA 0.240 4.418 4.170 0.014 0.000 0.289 68 I C -1.922 174.199 176.117 0.008 0.000 1.026 68 I CA -1.085 60.221 61.300 0.009 0.000 1.078 68 I CB 2.711 40.710 38.000 -0.001 0.000 1.249 68 I HN 1.064 9.164 8.210 0.011 0.116 0.429 69 V N 6.573 126.494 119.914 0.011 0.000 2.378 69 V HA 0.847 5.190 4.120 0.010 -0.217 0.288 69 V C -0.713 175.385 176.094 0.007 0.000 1.016 69 V CA -1.703 60.605 62.300 0.012 0.000 0.840 69 V CB 1.656 33.492 31.823 0.022 0.000 0.994 69 V HN 0.249 8.447 8.190 0.013 0.000 0.431 70 I N 6.964 127.534 120.570 0.001 0.000 2.339 70 I HA 0.378 4.669 4.170 -0.020 -0.133 0.290 70 I C -1.182 174.936 176.117 0.002 0.000 0.994 70 I CA -2.709 58.584 61.300 -0.012 0.000 1.191 70 I CB 0.243 38.228 38.000 -0.025 0.000 1.343 70 I HN 1.045 9.155 8.210 0.002 0.102 0.458 71 Q N 7.096 126.899 119.800 0.005 0.000 2.381 71 Q HA 0.361 4.738 4.340 0.062 0.000 0.263 71 Q C -1.273 174.739 176.000 0.021 0.000 1.030 71 Q CA -1.442 54.397 55.803 0.060 0.000 0.772 71 Q CB 1.783 30.611 28.738 0.150 0.000 1.232 71 Q HN 0.738 8.998 8.270 -0.018 0.000 0.476 72 V N 4.645 124.578 119.914 0.031 0.000 2.267 72 V HA 0.069 4.121 4.120 -0.115 0.000 0.254 72 V C -0.293 175.890 176.094 0.149 0.000 1.144 72 V CA -2.357 59.942 62.300 -0.003 0.000 0.992 72 V CB -2.118 29.686 31.823 -0.032 0.000 1.199 72 V HN -0.033 8.179 8.190 0.037 0.000 0.493 73 W N 4.132 125.432 121.300 0.001 0.000 2.274 73 W HA -0.352 4.311 4.660 0.005 0.000 0.314 73 W C 0.017 176.538 176.519 0.004 0.000 1.254 73 W CA 1.082 58.432 57.345 0.008 0.000 1.265 73 W CB -0.482 28.991 29.460 0.023 0.000 1.141 73 W HN -0.298 7.879 8.180 -0.004 0.000 0.505 74 D N -3.381 117.148 120.400 0.214 0.000 2.193 74 D HA 0.077 4.787 4.640 0.117 0.000 0.249 74 D C 0.416 176.710 176.300 -0.011 0.000 1.034 74 D CA -1.128 52.928 54.000 0.092 0.000 0.902 74 D CB 1.114 41.953 40.800 0.065 0.000 1.182 74 D HN -0.600 7.861 8.370 0.182 0.017 0.436 75 Q N -0.992 118.785 119.800 -0.037 0.000 2.378 75 Q HA -0.218 4.094 4.340 -0.047 0.000 0.205 75 Q C 0.216 176.120 176.000 -0.160 0.000 0.954 75 Q CA 2.225 57.987 55.803 -0.069 0.000 0.901 75 Q CB -0.340 28.376 28.738 -0.038 0.000 0.981 75 Q HN 0.471 8.734 8.270 -0.012 0.000 0.483 76 N N 0.117 118.645 118.700 -0.287 0.000 2.270 76 N HA -0.123 4.380 4.740 -0.395 0.000 0.181 76 N C -0.030 175.204 175.510 -0.459 0.000 1.016 76 N CA 2.708 55.460 53.050 -0.498 0.000 0.870 76 N CB 0.083 37.995 38.487 -0.959 0.000 0.979 76 N HN -0.017 8.157 8.380 -0.262 0.049 0.431 77 A N -2.601 119.992 122.820 -0.379 0.000 2.275 77 A HA 0.164 4.325 4.320 -0.266 0.000 0.212 77 A C 0.495 177.990 177.584 -0.148 0.000 1.201 77 A CA 0.775 52.662 52.037 -0.250 0.000 0.843 77 A CB -0.370 18.519 19.000 -0.185 0.000 0.873 77 A HN -0.553 7.552 8.150 -0.346 -0.162 0.492 78 V N -0.281 119.555 119.914 -0.130 0.000 2.323 78 V HA -0.237 3.845 4.120 -0.064 0.000 0.244 78 V C -0.511 175.538 176.094 -0.075 0.000 1.041 78 V CA 4.406 66.658 62.300 -0.080 0.000 1.025 78 V CB -2.281 29.507 31.823 -0.058 0.000 0.656 78 V HN -0.752 7.163 8.190 -0.157 0.181 0.451 79 P HA -0.118 4.269 4.420 -0.055 0.000 0.216 79 P C 0.673 177.932 177.300 -0.068 0.000 1.153 79 P CA 2.931 65.988 63.100 -0.072 0.000 0.844 79 P CB -0.831 30.820 31.700 -0.081 0.000 0.787 80 A N -2.665 120.103 122.820 -0.086 0.000 1.858 80 A HA -0.294 3.992 4.320 -0.057 0.000 0.216 80 A C 1.762 179.313 177.584 -0.054 0.000 1.190 80 A CA 2.889 54.884 52.037 -0.070 0.000 0.617 80 A CB -0.629 18.321 19.000 -0.084 0.000 0.827 80 A HN -0.349 7.732 8.150 -0.115 0.000 0.443 81 I N -1.404 119.130 120.570 -0.060 0.000 2.208 81 I HA -0.628 3.516 4.170 -0.044 0.000 0.245 81 I C 1.776 177.870 176.117 -0.038 0.000 1.097 81 I CA 4.433 65.704 61.300 -0.048 0.000 1.363 81 I CB -0.449 37.519 38.000 -0.054 0.000 1.051 81 I HN -0.557 7.608 8.210 -0.076 0.000 0.413 82 E N 0.045 120.222 120.200 -0.038 0.000 2.049 82 E HA -0.454 3.880 4.350 -0.026 0.000 0.198 82 E C 2.612 179.197 176.600 -0.025 0.000 1.007 82 E CA 3.765 60.148 56.400 -0.029 0.000 0.809 82 E CB -0.443 29.240 29.700 -0.029 0.000 0.749 82 E HN -0.603 7.722 8.360 -0.045 0.008 0.450 83 K N -2.588 117.796 120.400 -0.027 0.000 2.103 83 K HA -0.267 4.041 4.320 -0.018 0.000 0.204 83 K C 2.423 179.012 176.600 -0.020 0.000 1.052 83 K CA 2.427 58.701 56.287 -0.022 0.000 0.945 83 K CB -0.186 32.300 32.500 -0.022 0.000 0.722 83 K HN -0.782 7.449 8.250 -0.032 0.000 0.443 84 A N -0.054 122.752 122.820 -0.023 0.000 1.873 84 A HA -0.185 4.125 4.320 -0.017 0.000 0.215 84 A C 2.040 179.613 177.584 -0.020 0.000 1.186 84 A CA 2.938 54.963 52.037 -0.021 0.000 0.616 84 A CB -0.558 18.427 19.000 -0.025 0.000 0.823 84 A HN 0.139 8.085 8.150 -0.028 0.187 0.442 85 I N -0.309 120.248 120.570 -0.022 0.000 2.179 85 I HA -0.545 3.613 4.170 -0.020 0.000 0.242 85 I C 0.795 176.902 176.117 -0.016 0.000 1.088 85 I CA 3.646 64.934 61.300 -0.020 0.000 1.357 85 I CB 0.291 38.278 38.000 -0.022 0.000 1.051 85 I HN 0.680 8.750 8.210 -0.025 0.125 0.409 86 R N -0.771 119.720 120.500 -0.015 0.000 2.159 86 R HA -0.438 3.895 4.340 -0.012 0.000 0.237 86 R C 1.698 177.991 176.300 -0.011 0.000 1.131 86 R CA 3.817 59.909 56.100 -0.012 0.000 0.982 86 R CB -0.462 29.831 30.300 -0.012 0.000 0.868 86 R HN -0.580 7.679 8.270 -0.017 0.000 0.453 87 E N -3.255 116.938 120.200 -0.011 0.000 2.047 87 E HA -0.284 4.062 4.350 -0.008 0.000 0.191 87 E C 1.279 177.874 176.600 -0.008 0.000 0.987 87 E CA 2.878 59.273 56.400 -0.009 0.000 0.799 87 E CB -0.292 29.403 29.700 -0.009 0.000 0.752 87 E HN -0.667 7.548 8.360 -0.013 0.137 0.449 88 E N -2.897 117.297 120.200 -0.010 0.000 2.086 88 E HA -0.143 4.202 4.350 -0.008 0.000 0.190 88 E C 1.909 178.502 176.600 -0.011 0.000 0.975 88 E CA 1.926 58.319 56.400 -0.010 0.000 0.813 88 E CB 0.716 30.409 29.700 -0.012 0.000 0.768 88 E HN -0.731 7.622 8.360 -0.012 0.000 0.457 89 L N -4.383 116.833 121.223 -0.013 0.000 2.313 89 L HA -0.086 4.245 4.340 -0.014 0.000 0.214 89 L C -0.091 176.772 176.870 -0.011 0.000 1.119 89 L CA 0.754 55.586 54.840 -0.013 0.000 0.809 89 L CB 0.581 42.632 42.059 -0.014 0.000 0.933 89 L HN 0.277 8.391 8.230 -0.013 0.108 0.449 90 N N -2.975 115.719 118.700 -0.010 0.000 2.725 90 N HA -0.361 4.534 4.740 -0.008 -0.160 0.251 90 N C -1.607 173.898 175.510 -0.008 0.000 1.031 90 N CA 1.214 54.259 53.050 -0.008 0.000 0.720 90 N CB -1.783 36.700 38.487 -0.007 0.000 0.930 90 N HN -0.341 7.906 8.380 -0.010 0.127 0.543 91 L N -5.638 115.580 121.223 -0.008 0.000 2.357 91 L HA 0.214 4.550 4.340 -0.006 0.000 0.244 91 L C -1.687 175.179 176.870 -0.007 0.000 1.115 91 L CA -1.850 52.986 54.840 -0.007 0.000 0.919 91 L CB 3.337 45.392 42.059 -0.007 0.000 1.532 91 L HN -0.885 7.340 8.230 -0.009 0.000 0.416 92 N N 0.719 119.416 118.700 -0.006 0.000 2.699 92 N HA 0.322 5.058 4.740 -0.007 0.000 0.232 92 N C -1.685 173.822 175.510 -0.005 0.000 1.027 92 N CA -2.188 50.858 53.050 -0.006 0.000 0.920 92 N CB 1.014 39.499 38.487 -0.004 0.000 1.148 92 N HN 0.278 8.655 8.380 -0.005 0.000 0.509 93 P HA 0.098 4.514 4.420 -0.005 0.000 0.279 93 P C -1.103 176.193 177.300 -0.006 0.000 1.239 93 P CA -0.610 62.486 63.100 -0.007 0.000 0.789 93 P CB 0.814 32.508 31.700 -0.010 0.000 0.933 94 T N 4.212 118.764 114.554 -0.003 0.000 2.829 94 T HA 0.196 4.544 4.350 -0.003 0.000 0.282 94 T C -1.356 173.343 174.700 -0.002 0.000 0.990 94 T CA 0.083 62.181 62.100 -0.002 0.000 1.028 94 T CB 1.800 70.668 68.868 0.000 0.000 0.951 94 T HN 0.069 8.307 8.240 -0.002 0.000 0.460 95 V N 5.105 125.017 119.914 -0.002 0.000 2.444 95 V HA 0.457 4.749 4.120 0.001 -0.172 0.294 95 V C -1.034 175.060 176.094 0.001 0.000 1.022 95 V CA -1.204 61.096 62.300 -0.001 0.000 0.850 95 V CB 1.903 33.722 31.823 -0.006 0.000 0.992 95 V HN 0.383 8.571 8.190 -0.003 0.000 0.426 96 Q N 5.915 125.718 119.800 0.005 0.000 2.304 96 Q HA 0.346 4.688 4.340 0.004 0.000 0.270 96 Q C 0.440 176.446 176.000 0.010 0.000 1.035 96 Q CA -1.558 54.249 55.803 0.006 0.000 0.781 96 Q CB 1.905 30.647 28.738 0.007 0.000 1.261 96 Q HN 0.765 9.040 8.270 0.008 0.000 0.444 97 G N 7.992 116.797 108.800 0.008 0.000 4.011 97 G HA2 -0.540 3.424 3.960 0.007 0.000 0.348 97 G HA3 -0.540 3.427 3.960 0.012 0.000 0.348 97 G C -0.136 174.773 174.900 0.015 0.000 1.310 97 G CA 1.913 47.019 45.100 0.010 0.000 1.056 97 G HN 0.811 9.104 8.290 0.005 0.000 0.728 98 N N 3.151 121.866 118.700 0.025 0.000 2.286 98 N HA 0.195 4.953 4.740 0.031 0.000 0.245 98 N C -1.987 173.556 175.510 0.054 0.000 1.363 98 N CA -0.020 53.054 53.050 0.041 0.000 0.822 98 N CB 2.479 40.999 38.487 0.056 0.000 1.345 98 N HN -0.117 8.265 8.380 0.026 0.014 0.494 99 V N -4.066 115.871 119.914 0.038 0.000 2.823 99 V HA 0.498 4.649 4.120 0.051 0.000 0.312 99 V C -2.174 173.933 176.094 0.021 0.000 1.072 99 V CA -1.525 60.798 62.300 0.039 0.000 0.937 99 V CB 3.205 35.052 31.823 0.040 0.000 1.013 99 V HN 0.094 8.190 8.190 0.027 0.111 0.430 100 I N 2.783 123.362 120.570 0.016 0.000 2.382 100 I HA 0.687 5.062 4.170 0.005 -0.203 0.286 100 I C -1.521 174.600 176.117 0.007 0.000 1.002 100 I CA -1.406 59.897 61.300 0.006 0.000 1.135 100 I CB 2.247 40.245 38.000 -0.003 0.000 1.288 100 I HN 1.016 9.134 8.210 0.021 0.104 0.448 101 R N 8.106 128.609 120.500 0.006 0.000 2.229 101 R HA 0.381 4.727 4.340 0.009 0.000 0.332 101 R C -1.770 174.532 176.300 0.004 0.000 0.989 101 R CA -0.894 55.210 56.100 0.007 0.000 0.842 101 R CB 1.757 32.062 30.300 0.009 0.000 1.119 101 R HN 0.656 8.929 8.270 0.005 0.000 0.456 102 V N 8.406 128.322 119.914 0.003 0.000 2.409 102 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 102 V C -1.907 174.189 176.094 0.003 0.000 1.020 102 V CA -1.048 61.252 62.300 0.001 0.000 0.848 102 V CB 3.412 35.233 31.823 -0.003 0.000 0.990 102 V HN 1.123 9.210 8.190 0.005 0.107 0.430 103 T N 7.677 122.233 114.554 0.003 0.000 2.812 103 T HA 0.376 4.730 4.350 0.007 0.000 0.282 103 T C -0.860 173.841 174.700 0.002 0.000 0.990 103 T CA -2.138 59.965 62.100 0.005 0.000 0.960 103 T CB 0.938 69.810 68.868 0.007 0.000 0.948 103 T HN 0.281 8.522 8.240 0.002 0.000 0.438 104 L N 5.066 126.289 121.223 0.001 0.000 2.334 104 L HA 0.705 5.043 4.340 -0.002 0.000 0.275 104 L C -1.825 175.045 176.870 0.000 0.000 1.036 104 L CA -3.979 50.860 54.840 -0.002 0.000 0.807 104 L CB -1.732 40.324 42.059 -0.005 0.000 1.231 104 L HN -0.138 8.094 8.230 0.003 0.000 0.438 105 P HA 0.102 4.523 4.420 0.002 0.000 0.262 105 P C -2.038 175.262 177.300 0.000 0.000 1.182 105 P CA -1.083 62.017 63.100 0.000 0.000 0.761 105 P CB -0.394 31.306 31.700 -0.001 0.000 0.795 106 P HA -0.119 4.304 4.420 0.005 0.000 0.256 106 P C -0.043 177.258 177.300 0.000 0.000 1.173 106 P CA -0.150 62.952 63.100 0.004 0.000 0.768 106 P CB 0.118 31.821 31.700 0.006 0.000 0.758 107 L N 1.707 122.928 121.223 -0.003 0.000 2.652 107 L HA 0.167 4.502 4.340 -0.007 0.000 0.284 107 L C -0.218 176.649 176.870 -0.004 0.000 1.204 107 L CA -0.442 54.394 54.840 -0.007 0.000 1.105 107 L CB -2.231 39.821 42.059 -0.013 0.000 1.393 107 L HN 0.285 8.514 8.230 -0.002 0.000 0.452 108 T N 2.091 116.644 114.554 -0.002 0.000 2.773 108 T HA -0.019 4.331 4.350 0.002 0.000 0.337 108 T C 0.816 175.516 174.700 -0.001 0.000 1.086 108 T CA -0.709 61.391 62.100 0.000 0.000 0.998 108 T CB 1.450 70.319 68.868 0.001 0.000 1.281 108 T HN 0.115 8.337 8.240 -0.002 0.016 0.525 109 E N -0.796 119.405 120.200 0.002 0.000 2.086 109 E HA -0.460 3.892 4.350 0.003 0.000 0.200 109 E C 2.294 178.895 176.600 0.002 0.000 1.012 109 E CA 4.388 60.790 56.400 0.003 0.000 0.812 109 E CB -0.379 29.324 29.700 0.005 0.000 0.743 109 E HN 0.399 8.761 8.360 0.003 0.000 0.453 110 E N -2.002 118.199 120.200 0.001 0.000 2.072 110 E HA -0.261 4.091 4.350 0.003 0.000 0.190 110 E C 2.253 178.851 176.600 -0.004 0.000 0.982 110 E CA 2.476 58.876 56.400 0.001 0.000 0.803 110 E CB -0.046 29.655 29.700 0.002 0.000 0.755 110 E HN -0.680 7.678 8.360 0.002 0.002 0.453 111 R N -0.987 119.510 120.500 -0.006 0.000 2.083 111 R HA -0.312 4.022 4.340 -0.010 0.000 0.237 111 R C 2.574 178.863 176.300 -0.018 0.000 1.137 111 R CA 2.917 59.011 56.100 -0.011 0.000 0.951 111 R CB -0.177 30.117 30.300 -0.010 0.000 0.851 111 R HN -0.791 7.408 8.270 -0.004 0.069 0.434 112 R N -3.191 117.298 120.500 -0.017 0.000 2.127 112 R HA -0.296 4.024 4.340 -0.033 0.000 0.238 112 R C 2.651 178.929 176.300 -0.037 0.000 1.134 112 R CA 3.429 59.513 56.100 -0.027 0.000 0.975 112 R CB -0.507 29.782 30.300 -0.018 0.000 0.865 112 R HN 0.201 8.464 8.270 -0.012 0.000 0.447 113 R N -3.014 117.473 120.500 -0.022 0.000 2.115 113 R HA -0.238 4.090 4.340 -0.020 0.000 0.230 113 R C 2.143 178.425 176.300 -0.030 0.000 1.111 113 R CA 2.495 58.585 56.100 -0.017 0.000 0.976 113 R CB -0.745 29.558 30.300 0.004 0.000 0.870 113 R HN -0.353 7.781 8.270 -0.013 0.129 0.445 114 E N 0.413 120.598 120.200 -0.026 0.000 2.031 114 E HA -0.248 4.093 4.350 -0.014 0.000 0.193 114 E C 2.498 179.071 176.600 -0.044 0.000 0.994 114 E CA 3.201 59.586 56.400 -0.025 0.000 0.800 114 E CB -0.539 29.150 29.700 -0.018 0.000 0.752 114 E HN -0.561 7.652 8.360 -0.021 0.135 0.447 115 L N -1.531 119.658 121.223 -0.057 0.000 2.027 115 L HA -0.174 4.134 4.340 -0.055 0.000 0.206 115 L C 2.328 179.118 176.870 -0.133 0.000 1.074 115 L CA 2.858 57.654 54.840 -0.072 0.000 0.745 115 L CB -1.122 40.899 42.059 -0.063 0.000 0.898 115 L HN -0.672 7.528 8.230 -0.049 0.000 0.433 116 V N -2.397 117.403 119.914 -0.190 0.000 2.332 116 V HA -0.540 3.347 4.120 -0.388 0.000 0.248 116 V C 2.346 178.028 176.094 -0.687 0.000 1.055 116 V CA 4.495 66.543 62.300 -0.419 0.000 1.038 116 V CB -0.897 30.713 31.823 -0.355 0.000 0.651 116 V HN -0.048 8.060 8.190 -0.136 0.000 0.450 117 R N -1.487 118.842 120.500 -0.286 0.000 2.115 117 R HA -0.110 4.324 4.340 0.157 0.000 0.226 117 R C 2.770 179.075 176.300 0.009 0.000 1.100 117 R CA 1.950 58.032 56.100 -0.031 0.000 0.980 117 R CB -0.758 29.576 30.300 0.057 0.000 0.875 117 R HN -0.303 7.864 8.270 -0.171 0.000 0.445 118 L N 0.064 121.264 121.223 -0.039 0.000 2.072 118 L HA -0.239 4.116 4.340 0.025 0.000 0.205 118 L C 1.856 178.739 176.870 0.021 0.000 1.079 118 L CA 3.430 58.270 54.840 0.001 0.000 0.752 118 L CB 0.010 42.063 42.059 -0.011 0.000 0.906 118 L HN -0.481 7.571 8.230 -0.079 0.130 0.436 119 L N -1.105 120.105 121.223 -0.022 0.000 2.156 119 L HA -0.452 3.929 4.340 0.068 0.000 0.208 119 L C 1.133 178.078 176.870 0.125 0.000 1.095 119 L CA 3.103 57.963 54.840 0.033 0.000 0.770 119 L CB -0.193 41.855 42.059 -0.019 0.000 0.914 119 L HN 0.516 8.689 8.230 -0.095 0.000 0.439 120 H N -0.717 118.381 119.070 0.046 0.000 2.352 120 H HA -0.452 4.127 4.556 0.038 0.000 0.299 120 H C 2.382 177.730 175.328 0.033 0.000 1.097 120 H CA 3.388 59.457 56.048 0.035 0.000 1.311 120 H CB -0.058 29.717 29.762 0.021 0.000 1.377 120 H HN 0.020 8.076 8.280 -0.049 0.194 0.504 121 K N -1.265 119.233 120.400 0.163 0.000 2.155 121 K HA -0.250 4.114 4.320 0.073 0.000 0.203 121 K C 2.066 178.719 176.600 0.088 0.000 1.052 121 K CA 2.744 59.088 56.287 0.094 0.000 0.948 121 K CB -0.175 32.368 32.500 0.071 0.000 0.728 121 K HN -0.647 7.695 8.250 0.152 0.000 0.448 122 I N -0.833 119.814 120.570 0.129 0.000 2.142 122 I HA -0.431 3.836 4.170 0.161 0.000 0.240 122 I C 1.868 178.072 176.117 0.146 0.000 1.078 122 I CA 2.356 63.768 61.300 0.187 0.000 1.343 122 I CB -1.707 36.461 38.000 0.280 0.000 1.046 122 I HN -0.679 7.501 8.210 0.133 0.109 0.405 123 T N 1.546 116.193 114.554 0.154 0.000 2.759 123 T HA -0.467 3.859 4.350 -0.040 0.000 0.269 123 T C 2.217 176.872 174.700 -0.075 0.000 1.042 123 T CA 5.463 67.586 62.100 0.039 0.000 1.140 123 T CB -0.507 68.425 68.868 0.107 0.000 0.864 123 T HN 0.235 8.592 8.240 0.196 0.000 0.455 124 E N 0.730 120.913 120.200 -0.029 0.000 2.150 124 E HA -0.286 4.015 4.350 -0.082 0.000 0.193 124 E C 2.371 178.917 176.600 -0.089 0.000 0.985 124 E CA 3.095 59.458 56.400 -0.061 0.000 0.814 124 E CB -0.197 29.485 29.700 -0.030 0.000 0.752 124 E HN -0.734 7.631 8.360 0.024 0.010 0.466 125 E N -1.021 119.139 120.200 -0.067 0.000 2.106 125 E HA -0.249 4.065 4.350 -0.059 0.000 0.192 125 E C 2.198 178.710 176.600 -0.147 0.000 0.984 125 E CA 2.587 58.946 56.400 -0.068 0.000 0.806 125 E CB -0.184 29.513 29.700 -0.004 0.000 0.750 125 E HN -0.468 7.753 8.360 -0.029 0.122 0.458 126 A N -0.793 121.866 122.820 -0.269 0.000 1.877 126 A HA -0.254 3.865 4.320 -0.335 0.000 0.216 126 A C 1.780 179.008 177.584 -0.594 0.000 1.186 126 A CA 3.224 54.959 52.037 -0.504 0.000 0.620 126 A CB -0.452 18.035 19.000 -0.855 0.000 0.822 126 A HN -0.185 7.814 8.150 -0.252 0.000 0.443 127 R N -3.148 117.092 120.500 -0.433 0.000 2.105 127 R HA -0.390 3.688 4.340 -0.438 0.000 0.239 127 R C 1.976 178.130 176.300 -0.245 0.000 1.135 127 R CA 3.134 59.028 56.100 -0.343 0.000 0.967 127 R CB -0.760 29.408 30.300 -0.220 0.000 0.861 127 R HN -0.757 7.302 8.270 -0.353 0.000 0.442 128 V N -0.444 119.360 119.914 -0.184 0.000 2.392 128 V HA -0.388 3.671 4.120 -0.102 0.000 0.249 128 V C 2.130 178.160 176.094 -0.108 0.000 1.059 128 V CA 3.450 65.679 62.300 -0.118 0.000 1.051 128 V CB -0.976 30.798 31.823 -0.082 0.000 0.658 128 V HN -0.452 7.533 8.190 -0.184 0.095 0.455 129 R N -1.313 119.109 120.500 -0.129 0.000 2.062 129 R HA -0.284 4.038 4.340 -0.031 0.000 0.229 129 R C 2.710 178.967 176.300 -0.072 0.000 1.128 129 R CA 3.232 59.293 56.100 -0.065 0.000 0.960 129 R CB -0.230 30.072 30.300 0.002 0.000 0.855 129 R HN -0.913 7.143 8.270 -0.177 0.108 0.432 130 V N 0.119 119.920 119.914 -0.189 0.000 2.287 130 V HA -0.420 3.689 4.120 -0.019 0.000 0.248 130 V C 2.436 178.479 176.094 -0.085 0.000 1.053 130 V CA 4.514 66.730 62.300 -0.140 0.000 1.027 130 V CB -0.247 31.399 31.823 -0.295 0.000 0.646 130 V HN -0.021 7.961 8.190 -0.346 0.000 0.447 131 R N -1.793 118.645 120.500 -0.103 0.000 2.083 131 R HA -0.381 3.920 4.340 -0.064 0.000 0.237 131 R C 2.494 178.766 176.300 -0.046 0.000 1.137 131 R CA 3.129 59.187 56.100 -0.070 0.000 0.951 131 R CB -0.904 29.352 30.300 -0.072 0.000 0.851 131 R HN 0.116 8.302 8.270 -0.140 0.000 0.434 132 N N 0.138 118.813 118.700 -0.041 0.000 2.223 132 N HA -0.277 4.449 4.740 -0.023 0.000 0.185 132 N C 2.385 177.887 175.510 -0.013 0.000 1.016 132 N CA 3.224 56.260 53.050 -0.023 0.000 0.863 132 N CB 0.051 38.528 38.487 -0.018 0.000 0.983 132 N HN -0.656 7.693 8.380 -0.053 0.000 0.429 133 V N 0.739 120.649 119.914 -0.008 0.000 2.261 133 V HA -0.533 3.593 4.120 0.010 0.000 0.246 133 V C 1.700 177.786 176.094 -0.012 0.000 1.047 133 V CA 5.058 67.360 62.300 0.002 0.000 1.015 133 V CB -0.086 31.750 31.823 0.022 0.000 0.642 133 V HN -0.184 7.859 8.190 -0.015 0.139 0.446 134 R N -2.176 118.311 120.500 -0.022 0.000 2.092 134 R HA -0.320 4.000 4.340 -0.033 0.000 0.231 134 R C 2.327 178.613 176.300 -0.024 0.000 1.119 134 R CA 3.185 59.268 56.100 -0.028 0.000 0.970 134 R CB -0.746 29.534 30.300 -0.033 0.000 0.864 134 R HN -0.520 7.736 8.270 -0.023 0.000 0.440 135 R N -0.787 119.700 120.500 -0.022 0.000 2.090 135 R HA -0.238 4.090 4.340 -0.019 0.000 0.228 135 R C 1.952 178.244 176.300 -0.013 0.000 1.110 135 R CA 2.857 58.946 56.100 -0.019 0.000 0.973 135 R CB -0.128 30.160 30.300 -0.021 0.000 0.869 135 R HN 0.455 8.606 8.270 -0.024 0.104 0.440 136 E N -0.486 119.707 120.200 -0.010 0.000 2.028 136 E HA -0.244 4.103 4.350 -0.004 0.000 0.190 136 E C 1.987 178.585 176.600 -0.004 0.000 0.984 136 E CA 2.834 59.231 56.400 -0.004 0.000 0.800 136 E CB 0.051 29.751 29.700 0.001 0.000 0.758 136 E HN 0.302 8.532 8.360 -0.012 0.123 0.448 137 A N -0.575 122.241 122.820 -0.007 0.000 1.908 137 A HA -0.236 4.266 4.320 -0.001 -0.182 0.218 137 A C 2.250 179.828 177.584 -0.010 0.000 1.181 137 A CA 3.029 55.061 52.037 -0.009 0.000 0.627 137 A CB -0.607 18.379 19.000 -0.022 0.000 0.818 137 A HN 0.299 8.331 8.150 -0.009 0.113 0.445 138 K N -2.186 118.206 120.400 -0.014 0.000 2.063 138 K HA -0.355 3.956 4.320 -0.014 0.000 0.208 138 K C 2.184 178.780 176.600 -0.007 0.000 1.048 138 K CA 3.541 59.820 56.287 -0.013 0.000 0.928 138 K CB -0.276 32.215 32.500 -0.015 0.000 0.713 138 K HN -0.336 7.904 8.250 -0.017 0.000 0.442 139 E N -1.948 118.248 120.200 -0.006 0.000 2.160 139 E HA -0.274 4.308 4.350 -0.004 -0.234 0.195 139 E C 2.494 179.094 176.600 0.000 0.000 0.991 139 E CA 2.889 59.287 56.400 -0.003 0.000 0.810 139 E CB -0.259 29.440 29.700 -0.003 0.000 0.742 139 E HN -0.626 7.634 8.360 -0.007 0.096 0.466 140 M N -2.264 117.337 119.600 0.002 0.000 2.132 140 M HA -0.288 4.196 4.480 0.007 0.000 0.263 140 M C 2.044 178.348 176.300 0.006 0.000 1.065 140 M CA 3.812 59.116 55.300 0.006 0.000 1.122 140 M CB -0.115 32.491 32.600 0.010 0.000 1.365 140 M HN -0.516 7.635 8.290 0.001 0.139 0.411 141 I N -3.287 117.285 120.570 0.003 0.000 2.163 141 I HA -0.357 3.817 4.170 0.007 0.000 0.240 141 I C 2.645 178.764 176.117 0.003 0.000 1.081 141 I CA 2.277 63.579 61.300 0.004 0.000 1.353 141 I CB -1.845 36.155 38.000 0.000 0.000 1.054 141 I HN -0.843 7.279 8.210 0.001 0.089 0.407 142 E N -0.764 119.436 120.200 0.000 0.000 2.333 142 E HA -0.374 3.975 4.350 -0.000 0.000 0.198 142 E C 1.379 177.979 176.600 0.001 0.000 1.007 142 E CA 2.768 59.168 56.400 -0.000 0.000 0.845 142 E CB -0.960 28.739 29.700 -0.002 0.000 0.766 142 E HN 0.134 8.493 8.360 -0.001 0.000 0.507 143 E N -1.188 119.014 120.200 0.002 0.000 2.250 143 E HA -0.072 4.279 4.350 0.002 0.000 0.192 143 E C 0.322 176.924 176.600 0.004 0.000 0.986 143 E CA 0.731 57.133 56.400 0.003 0.000 0.849 143 E CB 0.439 30.141 29.700 0.004 0.000 0.797 143 E HN -0.612 7.561 8.360 0.003 0.188 0.482 144 L N 1.223 122.450 121.223 0.005 0.000 2.385 144 L HA -0.038 4.306 4.340 0.007 0.000 0.281 144 L C -0.543 176.330 176.870 0.005 0.000 1.106 144 L CA 0.744 55.588 54.840 0.007 0.000 0.856 144 L CB -0.859 41.205 42.059 0.009 0.000 1.186 144 L HN -0.623 7.498 8.230 0.005 0.113 0.453 145 E N 2.208 122.411 120.200 0.005 0.000 3.426 145 E HA -0.389 3.963 4.350 0.004 0.000 0.291 145 E C -0.149 176.453 176.600 0.003 0.000 0.898 145 E CA 0.930 57.333 56.400 0.004 0.000 0.970 145 E CB -1.379 28.323 29.700 0.004 0.000 1.489 145 E HN 0.925 9.288 8.360 0.005 0.000 0.461 146 G N -3.958 104.843 108.800 0.003 0.000 2.284 146 G HA2 -0.421 3.720 3.960 0.001 0.000 0.261 146 G HA3 -0.421 3.540 3.960 0.001 0.000 0.261 146 G C -0.826 174.075 174.900 0.001 0.000 0.997 146 G CA 0.982 46.083 45.100 0.002 0.000 0.621 146 G HN -0.198 7.884 8.290 0.003 0.210 0.534 147 I N -4.757 115.814 120.570 0.002 0.000 2.685 147 I HA 0.251 4.421 4.170 0.001 0.000 0.289 147 I C -2.710 173.408 176.117 0.003 0.000 1.292 147 I CA -1.348 59.953 61.300 0.001 0.000 1.050 147 I CB 2.579 40.579 38.000 0.001 0.000 1.301 147 I HN -0.695 7.393 8.210 0.003 0.123 0.425 148 S N 5.752 121.454 115.700 0.003 0.000 2.774 148 S HA 0.416 4.889 4.470 0.004 0.000 0.297 148 S C 0.253 174.855 174.600 0.003 0.000 1.143 148 S CA -0.811 57.391 58.200 0.004 0.000 1.090 148 S CB 1.933 65.136 63.200 0.006 0.000 1.019 148 S HN -0.053 8.258 8.310 0.002 0.000 0.482 149 E N 5.940 126.142 120.200 0.003 0.000 2.033 149 E HA -0.327 4.024 4.350 0.001 0.000 0.189 149 E C 0.915 177.518 176.600 0.004 0.000 0.979 149 E CA 3.864 60.266 56.400 0.003 0.000 0.802 149 E CB 0.033 29.735 29.700 0.002 0.000 0.763 149 E HN 0.428 8.790 8.360 0.004 0.000 0.449 150 D N -0.803 119.601 120.400 0.006 0.000 2.123 150 D HA -0.292 4.353 4.640 0.008 0.000 0.196 150 D C 1.910 178.216 176.300 0.011 0.000 0.992 150 D CA 3.632 57.637 54.000 0.009 0.000 0.833 150 D CB -0.447 40.359 40.800 0.010 0.000 0.954 150 D HN 0.207 8.581 8.370 0.006 0.000 0.455 151 E N -1.228 118.978 120.200 0.011 0.000 2.046 151 E HA -0.247 4.114 4.350 0.018 0.000 0.190 151 E C 1.956 178.560 176.600 0.007 0.000 0.982 151 E CA 3.507 59.914 56.400 0.013 0.000 0.800 151 E CB -0.077 29.631 29.700 0.013 0.000 0.756 151 E HN 0.141 8.498 8.360 0.009 0.009 0.449 152 K N -0.825 119.576 120.400 0.003 0.000 2.063 152 K HA -0.362 3.955 4.320 -0.005 0.000 0.208 152 K C 2.733 179.330 176.600 -0.005 0.000 1.048 152 K CA 3.311 59.596 56.287 -0.002 0.000 0.928 152 K CB -0.042 32.456 32.500 -0.003 0.000 0.713 152 K HN -0.135 7.998 8.250 0.004 0.119 0.442 153 K N -0.959 119.441 120.400 -0.001 0.000 2.001 153 K HA -0.315 4.002 4.320 -0.005 0.000 0.208 153 K C 2.663 179.262 176.600 -0.001 0.000 1.048 153 K CA 3.514 59.800 56.287 -0.001 0.000 0.932 153 K CB -0.023 32.478 32.500 0.002 0.000 0.715 153 K HN 0.133 8.384 8.250 0.002 0.000 0.437 154 R N -1.517 118.987 120.500 0.006 0.000 2.115 154 R HA -0.215 4.133 4.340 0.013 0.000 0.226 154 R C 2.470 178.771 176.300 0.002 0.000 1.100 154 R CA 2.631 58.739 56.100 0.013 0.000 0.980 154 R CB -0.265 30.052 30.300 0.028 0.000 0.875 154 R HN -0.511 7.764 8.270 0.008 0.000 0.445 155 A N -0.269 122.548 122.820 -0.004 0.000 1.968 155 A HA -0.188 4.115 4.320 -0.028 0.000 0.217 155 A C 1.591 179.143 177.584 -0.053 0.000 1.169 155 A CA 2.912 54.934 52.037 -0.025 0.000 0.638 155 A CB -0.462 18.531 19.000 -0.011 0.000 0.812 155 A HN 0.702 8.721 8.150 0.001 0.132 0.446 156 L N -1.036 120.165 121.223 -0.037 0.000 2.005 156 L HA -0.357 3.955 4.340 -0.047 0.000 0.207 156 L C 2.013 178.852 176.870 -0.053 0.000 1.072 156 L CA 2.849 57.664 54.840 -0.041 0.000 0.744 156 L CB -0.790 41.253 42.059 -0.026 0.000 0.895 156 L HN 0.037 8.155 8.230 -0.023 0.098 0.433 157 E N -1.073 119.102 120.200 -0.041 0.000 2.085 157 E HA -0.477 3.853 4.350 -0.034 0.000 0.194 157 E C 2.474 179.029 176.600 -0.075 0.000 0.994 157 E CA 3.217 59.593 56.400 -0.040 0.000 0.801 157 E CB -0.823 28.867 29.700 -0.017 0.000 0.743 157 E HN -0.336 8.006 8.360 -0.029 0.000 0.453 158 R N -0.270 120.164 120.500 -0.109 0.000 2.081 158 R HA -0.220 3.985 4.340 -0.224 0.000 0.235 158 R C 2.769 178.873 176.300 -0.326 0.000 1.131 158 R CA 2.760 58.709 56.100 -0.252 0.000 0.960 158 R CB -0.432 29.696 30.300 -0.286 0.000 0.856 158 R HN -0.535 7.682 8.270 -0.076 0.008 0.436 159 L N -0.777 120.320 121.223 -0.211 0.000 2.156 159 L HA -0.199 4.013 4.340 -0.214 0.000 0.208 159 L C 2.013 178.818 176.870 -0.109 0.000 1.095 159 L CA 2.589 57.330 54.840 -0.165 0.000 0.770 159 L CB -1.101 40.896 42.059 -0.104 0.000 0.914 159 L HN 0.256 8.195 8.230 -0.156 0.198 0.439 160 Q N -0.086 119.664 119.800 -0.085 0.000 2.049 160 Q HA -0.435 3.880 4.340 -0.041 0.000 0.198 160 Q C 2.379 178.352 176.000 -0.045 0.000 0.971 160 Q CA 4.046 59.818 55.803 -0.051 0.000 0.833 160 Q CB -0.101 28.614 28.738 -0.038 0.000 0.896 160 Q HN 0.923 8.931 8.270 -0.089 0.209 0.434 161 K N 0.423 120.787 120.400 -0.060 0.000 2.074 161 K HA -0.302 4.008 4.320 -0.016 0.000 0.209 161 K C 2.790 179.369 176.600 -0.035 0.000 1.048 161 K CA 3.148 59.412 56.287 -0.039 0.000 0.926 161 K CB -0.496 31.981 32.500 -0.038 0.000 0.713 161 K HN 0.316 8.400 8.250 -0.076 0.120 0.444 162 L N -2.073 119.101 121.223 -0.080 0.000 2.044 162 L HA -0.272 4.055 4.340 -0.021 0.000 0.205 162 L C 1.872 178.747 176.870 0.009 0.000 1.075 162 L CA 3.526 58.336 54.840 -0.051 0.000 0.747 162 L CB -0.081 41.907 42.059 -0.119 0.000 0.903 162 L HN -0.583 7.561 8.230 -0.137 0.004 0.435 163 T N 1.746 116.301 114.554 0.001 0.000 2.684 163 T HA -0.431 3.969 4.350 0.083 0.000 0.267 163 T C 2.011 176.746 174.700 0.058 0.000 1.036 163 T CA 4.773 66.895 62.100 0.038 0.000 1.148 163 T CB -0.587 68.279 68.868 -0.003 0.000 0.863 163 T HN -0.092 7.955 8.240 -0.037 0.171 0.436 164 D N 0.473 120.890 120.400 0.029 0.000 2.190 164 D HA -0.331 4.328 4.640 0.031 0.000 0.200 164 D C 1.830 178.166 176.300 0.061 0.000 0.992 164 D CA 3.935 57.955 54.000 0.034 0.000 0.854 164 D CB 0.074 40.884 40.800 0.017 0.000 0.936 164 D HN 0.355 8.616 8.370 0.008 0.113 0.462 165 K N -0.745 119.692 120.400 0.060 0.000 2.032 165 K HA -0.328 4.021 4.320 0.048 0.000 0.209 165 K C 2.087 178.753 176.600 0.110 0.000 1.048 165 K CA 3.032 59.355 56.287 0.061 0.000 0.927 165 K CB -0.405 32.115 32.500 0.034 0.000 0.712 165 K HN -0.649 7.509 8.250 0.044 0.118 0.441 166 Y N -0.707 119.596 120.300 0.005 0.000 2.242 166 Y HA -0.255 4.311 4.550 0.026 0.000 0.291 166 Y C 1.933 177.829 175.900 -0.005 0.000 1.137 166 Y CA 1.698 59.799 58.100 0.002 0.000 1.181 166 Y CB -0.360 38.086 38.460 -0.022 0.000 0.989 166 Y HN -0.764 7.566 8.280 0.211 0.076 0.527 167 I N -0.395 120.281 120.570 0.177 0.000 2.142 167 I HA -0.575 3.613 4.170 0.030 0.000 0.240 167 I C 1.833 178.004 176.117 0.091 0.000 1.078 167 I CA 2.993 64.339 61.300 0.077 0.000 1.343 167 I CB -1.572 36.447 38.000 0.032 0.000 1.046 167 I HN -0.040 8.161 8.210 0.157 0.104 0.405 168 D N -1.424 119.029 120.400 0.088 0.000 2.224 168 D HA -0.185 4.626 4.640 0.063 -0.133 0.205 168 D C 3.144 179.503 176.300 0.099 0.000 0.965 168 D CA 3.281 57.326 54.000 0.075 0.000 0.852 168 D CB -0.635 40.198 40.800 0.054 0.000 0.947 168 D HN 0.115 8.536 8.370 0.085 0.000 0.494 169 E N 0.115 120.394 120.200 0.132 0.000 2.072 169 E HA -0.222 4.190 4.350 0.103 0.000 0.190 169 E C 2.414 179.158 176.600 0.240 0.000 0.982 169 E CA 2.773 59.261 56.400 0.148 0.000 0.803 169 E CB 0.256 30.020 29.700 0.107 0.000 0.755 169 E HN -0.257 8.079 8.360 0.143 0.110 0.453 170 I N 0.282 121.035 120.570 0.305 0.000 2.133 170 I HA -0.406 4.131 4.170 0.611 0.000 0.238 170 I C 0.857 177.111 176.117 0.227 0.000 1.074 170 I CA 3.562 65.064 61.300 0.337 0.000 1.342 170 I CB 0.252 38.325 38.000 0.121 0.000 1.053 170 I HN 0.485 8.762 8.210 0.298 0.112 0.404 171 N N -0.191 118.590 118.700 0.135 0.000 2.205 171 N HA -0.364 4.434 4.740 0.096 0.000 0.186 171 N C 1.938 177.505 175.510 0.094 0.000 1.015 171 N CA 2.974 56.082 53.050 0.097 0.000 0.862 171 N CB -1.438 37.086 38.487 0.061 0.000 0.986 171 N HN -0.234 8.216 8.380 0.117 0.000 0.429 172 K N -0.088 120.370 120.400 0.097 0.000 2.097 172 K HA -0.188 4.166 4.320 0.056 0.000 0.205 172 K C 2.066 178.708 176.600 0.070 0.000 1.050 172 K CA 2.271 58.602 56.287 0.072 0.000 0.938 172 K CB -0.338 32.200 32.500 0.064 0.000 0.718 172 K HN -0.605 7.691 8.250 0.112 0.021 0.442 173 L N -0.307 120.979 121.223 0.104 0.000 2.027 173 L HA -0.238 4.118 4.340 0.027 0.000 0.206 173 L C 1.958 178.868 176.870 0.066 0.000 1.074 173 L CA 2.942 57.824 54.840 0.070 0.000 0.745 173 L CB -0.478 41.629 42.059 0.080 0.000 0.898 173 L HN -0.499 7.704 8.230 0.152 0.118 0.433 174 M N -0.305 119.362 119.600 0.111 0.000 2.132 174 M HA -0.492 4.037 4.480 0.081 0.000 0.263 174 M C 1.956 178.292 176.300 0.061 0.000 1.065 174 M CA 3.783 59.140 55.300 0.094 0.000 1.122 174 M CB -0.468 32.207 32.600 0.124 0.000 1.365 174 M HN -0.253 8.128 8.290 0.153 0.000 0.411 175 E N -0.296 119.939 120.200 0.058 0.000 2.049 175 E HA -0.318 4.235 4.350 0.042 -0.177 0.198 175 E C 2.304 178.921 176.600 0.028 0.000 1.007 175 E CA 3.459 59.884 56.400 0.042 0.000 0.809 175 E CB -0.281 29.442 29.700 0.039 0.000 0.749 175 E HN -0.057 8.344 8.360 0.069 0.000 0.450 176 A N -1.164 121.670 122.820 0.023 0.000 1.858 176 A HA -0.282 4.043 4.320 0.009 0.000 0.216 176 A C 2.398 179.983 177.584 0.001 0.000 1.190 176 A CA 3.083 55.125 52.037 0.009 0.000 0.617 176 A CB -0.569 18.433 19.000 0.004 0.000 0.827 176 A HN -0.539 7.629 8.150 0.030 0.000 0.443 177 K N -1.455 118.945 120.400 -0.000 0.000 2.074 177 K HA -0.362 3.944 4.320 -0.024 0.000 0.209 177 K C 2.451 179.045 176.600 -0.010 0.000 1.048 177 K CA 3.284 59.564 56.287 -0.012 0.000 0.926 177 K CB -0.503 31.989 32.500 -0.013 0.000 0.713 177 K HN -0.426 7.828 8.250 0.007 0.000 0.444 178 E N -1.132 119.071 120.200 0.006 0.000 2.070 178 E HA -0.399 3.952 4.350 0.001 0.000 0.197 178 E C 2.460 179.062 176.600 0.002 0.000 1.004 178 E CA 3.415 59.820 56.400 0.009 0.000 0.805 178 E CB -0.257 29.459 29.700 0.027 0.000 0.744 178 E HN 0.376 8.636 8.360 0.017 0.110 0.451 179 K N -2.885 117.517 120.400 0.003 0.000 2.152 179 K HA -0.302 4.021 4.320 0.005 0.000 0.206 179 K C 1.834 178.427 176.600 -0.010 0.000 1.048 179 K CA 2.836 59.123 56.287 0.001 0.000 0.933 179 K CB -0.280 32.221 32.500 0.003 0.000 0.721 179 K HN -0.436 7.815 8.250 0.006 0.003 0.447 180 E N -1.493 118.695 120.200 -0.021 0.000 2.057 180 E HA -0.184 4.140 4.350 -0.044 0.000 0.190 180 E C 2.473 179.050 176.600 -0.039 0.000 0.969 180 E CA 1.995 58.371 56.400 -0.039 0.000 0.812 180 E CB 0.499 30.169 29.700 -0.050 0.000 0.777 180 E HN -0.680 7.524 8.360 -0.017 0.146 0.455 181 I N -0.527 120.022 120.570 -0.034 0.000 2.127 181 I HA -0.530 3.614 4.170 -0.043 0.000 0.241 181 I C 2.022 178.123 176.117 -0.026 0.000 1.075 181 I CA 4.120 65.398 61.300 -0.037 0.000 1.334 181 I CB 0.229 38.202 38.000 -0.045 0.000 1.040 181 I HN 0.627 8.692 8.210 -0.031 0.126 0.405 182 M N -3.520 116.071 119.600 -0.015 0.000 2.618 182 M HA -0.029 4.448 4.480 -0.005 0.000 0.240 182 M C 0.883 177.182 176.300 -0.002 0.000 1.123 182 M CA 0.724 56.021 55.300 -0.004 0.000 1.060 182 M CB -1.325 31.279 32.600 0.005 0.000 1.535 182 M HN 0.117 8.283 8.290 -0.013 0.117 0.507 183 S N 0.096 115.791 115.700 -0.007 0.000 2.374 183 S HA -0.204 4.276 4.470 0.005 -0.007 0.227 183 S C 0.411 175.015 174.600 0.007 0.000 1.037 183 S CA 2.790 60.989 58.200 -0.001 0.000 1.024 183 S CB 0.301 63.492 63.200 -0.014 0.000 0.861 183 S HN -0.552 7.519 8.310 -0.015 0.229 0.456 184 V N 0.000 119.915 119.914 0.002 0.000 2.409 184 V HA 0.000 4.131 4.120 0.018 0.000 0.244 184 V CA 0.000 62.305 62.300 0.009 0.000 1.235 184 V CB 0.000 31.825 31.823 0.003 0.000 1.184 184 V HN 0.000 8.177 8.190 -0.007 0.008 0.556