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 1sh5_1_A DATA FIRST_RESID 6 DATA SEQUENCE FDERDRVQKK TFTKWVNKHL IKHWRAEAQR HISDLYEDLR DGHNLISLLE DATA SEQUENCE VLSGDSLPRE KGRMRFHKLQ NVQIALDYLR HRQVKLVNIR NDDIADGNPK DATA SEQUENCE LTLGLIWTII LHFQISDIQV SGQSEDMTAK EKLLLWSQRM VEGYQGLRCD DATA SEQUENCE NFTTSWRDGR LFNAIIHRHK PMLIDMNKVY RQTNLENLDQ AFSVAERDLG DATA SEQUENCE VTRLLDPEDV DVPQPDEKSI ITYVSSLYDA MP 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 6 F HA 0.000 4.524 4.527 -0.005 0.000 0.279 6 F C 0.000 175.795 175.800 -0.009 0.000 0.967 6 F CA 0.000 57.997 58.000 -0.006 0.000 1.383 6 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 7 D N 6.943 127.058 120.400 -0.475 0.000 2.425 7 D HA 0.226 4.553 4.640 -0.522 0.000 0.240 7 D C -0.105 175.681 176.300 -0.856 0.000 1.080 7 D CA -0.683 52.976 54.000 -0.567 0.000 0.836 7 D CB 1.716 42.359 40.800 -0.261 0.000 1.125 7 D HN 0.160 8.366 8.370 -0.273 0.000 0.525 8 E N 5.055 124.683 120.200 -0.953 0.000 2.209 8 E HA -0.405 3.448 4.350 -0.829 0.000 0.196 8 E C 1.446 177.873 176.600 -0.289 0.000 0.993 8 E CA 2.478 58.489 56.400 -0.649 0.000 0.819 8 E CB 0.305 29.797 29.700 -0.347 0.000 0.745 8 E HN 0.601 8.468 8.360 -0.820 0.000 0.477 9 R N -2.432 117.917 120.500 -0.250 0.000 2.120 9 R HA -0.358 3.894 4.340 -0.148 0.000 0.234 9 R C 2.156 178.352 176.300 -0.173 0.000 1.123 9 R CA 3.417 59.411 56.100 -0.176 0.000 0.975 9 R CB -0.331 29.874 30.300 -0.158 0.000 0.866 9 R HN -0.373 7.975 8.270 -0.270 -0.240 0.446 10 D N -1.294 119.007 120.400 -0.165 0.000 2.178 10 D HA -0.208 4.352 4.640 -0.133 0.000 0.202 10 D C 1.772 178.040 176.300 -0.053 0.000 0.974 10 D CA 3.295 57.234 54.000 -0.102 0.000 0.841 10 D CB -0.455 40.325 40.800 -0.033 0.000 0.953 10 D HN -0.305 7.933 8.370 -0.200 0.012 0.478 11 R N 0.273 120.765 120.500 -0.014 0.000 2.073 11 R HA -0.234 4.138 4.340 0.053 0.000 0.234 11 R C 2.067 178.334 176.300 -0.055 0.000 1.134 11 R CA 2.940 59.060 56.100 0.033 0.000 0.952 11 R CB -0.158 30.232 30.300 0.149 0.000 0.850 11 R HN -0.813 7.349 8.270 -0.040 0.085 0.433 12 V N -0.831 119.030 119.914 -0.088 0.000 2.343 12 V HA -0.397 3.672 4.120 -0.086 0.000 0.247 12 V C 1.857 177.836 176.094 -0.193 0.000 1.051 12 V CA 4.274 66.507 62.300 -0.112 0.000 1.036 12 V CB -0.629 31.134 31.823 -0.100 0.000 0.654 12 V HN -0.486 7.649 8.190 -0.092 0.000 0.451 13 Q N 0.450 120.084 119.800 -0.276 0.000 2.046 13 Q HA -0.253 3.746 4.340 -0.569 0.000 0.200 13 Q C 2.401 178.045 176.000 -0.593 0.000 0.975 13 Q CA 3.331 58.812 55.803 -0.536 0.000 0.836 13 Q CB -0.164 28.221 28.738 -0.589 0.000 0.896 13 Q HN -0.207 7.920 8.270 -0.238 0.000 0.428 14 K N -0.876 119.333 120.400 -0.318 0.000 2.063 14 K HA -0.375 3.843 4.320 -0.170 0.000 0.208 14 K C 2.027 178.543 176.600 -0.140 0.000 1.048 14 K CA 3.308 59.474 56.287 -0.201 0.000 0.928 14 K CB -0.161 32.228 32.500 -0.185 0.000 0.713 14 K HN -0.583 7.526 8.250 -0.236 0.000 0.442 15 K N -1.751 118.574 120.400 -0.125 0.000 2.057 15 K HA -0.265 4.018 4.320 -0.061 0.000 0.206 15 K C 2.388 178.977 176.600 -0.019 0.000 1.050 15 K CA 3.224 59.470 56.287 -0.068 0.000 0.935 15 K CB -0.163 32.300 32.500 -0.063 0.000 0.715 15 K HN -0.596 7.573 8.250 -0.135 0.000 0.439 16 T N 2.463 116.991 114.554 -0.043 0.000 2.708 16 T HA -0.255 4.129 4.350 0.057 0.000 0.266 16 T C 1.965 176.831 174.700 0.276 0.000 1.037 16 T CA 5.208 67.345 62.100 0.061 0.000 1.146 16 T CB -0.170 68.698 68.868 0.001 0.000 0.865 16 T HN -0.143 8.027 8.240 -0.116 0.000 0.435 17 F N 0.426 120.404 119.950 0.046 0.000 2.186 17 F HA -0.092 4.508 4.527 0.122 0.000 0.299 17 F C 2.147 178.026 175.800 0.131 0.000 1.090 17 F CA 1.179 59.235 58.000 0.093 0.000 1.307 17 F CB -1.283 37.749 39.000 0.053 0.000 1.019 17 F HN 0.049 8.424 8.300 0.125 0.000 0.489 18 T N 1.980 116.669 114.554 0.225 0.000 2.708 18 T HA -0.428 3.975 4.350 0.089 0.000 0.266 18 T C 1.916 176.678 174.700 0.103 0.000 1.037 18 T CA 5.262 67.421 62.100 0.100 0.000 1.146 18 T CB -0.466 68.398 68.868 -0.007 0.000 0.865 18 T HN -0.191 8.148 8.240 0.166 0.000 0.435 19 K N 1.079 121.554 120.400 0.125 0.000 2.097 19 K HA -0.310 4.059 4.320 0.083 0.000 0.206 19 K C 2.047 178.761 176.600 0.190 0.000 1.049 19 K CA 3.652 60.014 56.287 0.124 0.000 0.933 19 K CB -0.438 32.120 32.500 0.097 0.000 0.717 19 K HN -0.503 7.820 8.250 0.121 0.000 0.442 20 W N 0.312 121.656 121.300 0.074 0.000 2.355 20 W HA -0.365 4.361 4.660 0.110 0.000 0.309 20 W C 1.854 178.386 176.519 0.021 0.000 1.206 20 W CA 4.233 61.617 57.345 0.065 0.000 1.284 20 W CB 0.189 29.668 29.460 0.031 0.000 1.145 20 W HN -0.306 8.148 8.180 0.455 0.000 0.502 21 V N -1.261 118.791 119.914 0.231 0.000 2.295 21 V HA -0.657 3.386 4.120 -0.128 0.000 0.246 21 V C 2.067 178.125 176.094 -0.059 0.000 1.049 21 V CA 4.623 66.935 62.300 0.019 0.000 1.024 21 V CB -0.675 31.204 31.823 0.093 0.000 0.648 21 V HN 0.042 8.444 8.190 0.352 0.000 0.447 22 N N -1.328 117.364 118.700 -0.013 0.000 2.223 22 N HA -0.296 4.423 4.740 -0.035 0.000 0.185 22 N C 2.122 177.621 175.510 -0.017 0.000 1.016 22 N CA 2.787 55.827 53.050 -0.017 0.000 0.863 22 N CB -0.617 37.877 38.487 0.012 0.000 0.983 22 N HN -0.138 8.255 8.380 0.021 0.000 0.429 23 K N -1.106 119.279 120.400 -0.025 0.000 2.148 23 K HA -0.251 4.031 4.320 -0.063 0.000 0.204 23 K C 1.255 177.753 176.600 -0.169 0.000 1.050 23 K CA 2.529 58.773 56.287 -0.071 0.000 0.942 23 K CB 0.036 32.497 32.500 -0.065 0.000 0.724 23 K HN -0.566 7.660 8.250 -0.012 0.017 0.446 24 H N -2.317 116.546 119.070 -0.344 0.000 2.384 24 H HA -0.048 4.330 4.556 -0.297 0.000 0.300 24 H C 2.772 177.973 175.328 -0.212 0.000 1.057 24 H CA 2.502 58.349 56.048 -0.335 0.000 1.370 24 H CB 1.025 30.476 29.762 -0.519 0.000 1.417 24 H HN -0.710 7.562 8.280 0.005 0.011 0.527 25 L N -1.056 120.129 121.223 -0.063 0.000 2.129 25 L HA -0.295 3.986 4.340 -0.099 0.000 0.212 25 L C 2.230 179.058 176.870 -0.070 0.000 1.087 25 L CA 3.165 57.955 54.840 -0.085 0.000 0.757 25 L CB -0.335 41.670 42.059 -0.091 0.000 0.896 25 L HN -0.294 7.898 8.230 -0.063 0.000 0.434 26 I N -8.521 112.013 120.570 -0.061 0.000 3.291 26 I HA -0.119 4.026 4.170 -0.041 0.000 0.279 26 I C 0.476 176.563 176.117 -0.050 0.000 1.294 26 I CA 1.912 63.182 61.300 -0.048 0.000 1.428 26 I CB -0.702 37.274 38.000 -0.040 0.000 1.070 26 I HN -0.683 7.472 8.210 -0.064 0.016 0.478 27 K N -2.278 118.079 120.400 -0.071 0.000 2.417 27 K HA 0.015 4.309 4.320 -0.043 0.000 0.196 27 K C -0.095 176.489 176.600 -0.026 0.000 1.023 27 K CA -0.792 55.459 56.287 -0.061 0.000 1.122 27 K CB -0.307 32.120 32.500 -0.122 0.000 0.850 27 K HN -0.518 7.526 8.250 -0.093 0.150 0.521 28 H N 2.248 121.211 119.070 -0.178 0.000 2.790 28 H HA -0.154 4.152 4.556 -0.416 0.000 0.358 28 H C 0.644 175.867 175.328 -0.176 0.000 1.103 28 H CA 1.393 57.241 56.048 -0.333 0.000 1.426 28 H CB 1.885 31.370 29.762 -0.462 0.000 1.424 28 H HN -0.804 7.440 8.280 0.028 0.052 0.599 29 W N 1.613 122.738 121.300 -0.291 0.000 2.584 29 W HA -0.017 4.589 4.660 -0.091 0.000 0.264 29 W C -0.369 176.149 176.519 -0.002 0.000 1.264 29 W CA -0.005 57.253 57.345 -0.145 0.000 1.306 29 W CB 0.214 29.549 29.460 -0.209 0.000 1.110 29 W HN 0.295 7.730 8.180 -1.242 0.000 0.606 30 R N 1.338 121.858 120.500 0.033 0.000 2.229 30 R HA 0.162 4.585 4.340 0.137 0.000 0.328 30 R C 0.632 176.964 176.300 0.054 0.000 1.009 30 R CA -1.285 54.886 56.100 0.118 0.000 0.864 30 R CB 0.759 31.109 30.300 0.084 0.000 1.085 30 R HN -0.658 7.562 8.270 -0.083 0.000 0.453 31 A N 7.477 130.314 122.820 0.027 0.000 1.948 31 A HA -0.325 3.991 4.320 -0.007 0.000 0.220 31 A C 2.103 179.655 177.584 -0.053 0.000 1.177 31 A CA 3.140 55.172 52.037 -0.009 0.000 0.636 31 A CB -0.616 18.382 19.000 -0.003 0.000 0.815 31 A HN 0.927 9.102 8.150 0.042 0.000 0.449 32 E N -2.311 117.848 120.200 -0.069 0.000 2.204 32 E HA -0.268 4.031 4.350 -0.084 0.000 0.195 32 E C 0.663 177.158 176.600 -0.174 0.000 0.990 32 E CA 1.954 58.292 56.400 -0.104 0.000 0.821 32 E CB -0.733 28.906 29.700 -0.102 0.000 0.750 32 E HN 0.344 8.655 8.360 -0.052 0.018 0.477 33 A N -4.361 118.301 122.820 -0.264 0.000 2.169 33 A HA -0.010 4.072 4.320 -0.396 0.000 0.212 33 A C 0.018 177.401 177.584 -0.336 0.000 1.153 33 A CA 0.360 52.126 52.037 -0.452 0.000 0.756 33 A CB 0.456 18.845 19.000 -1.018 0.000 0.813 33 A HN -0.720 7.263 8.150 -0.237 0.025 0.471 34 Q N -0.557 119.129 119.800 -0.189 0.000 3.004 34 Q HA -0.106 4.356 4.340 -0.118 -0.193 0.256 34 Q C -0.339 175.617 176.000 -0.073 0.000 1.387 34 Q CA 0.023 55.760 55.803 -0.110 0.000 0.962 34 Q CB -1.554 27.148 28.738 -0.058 0.000 1.676 34 Q HN -0.703 7.323 8.270 -0.155 0.151 0.568 35 R N 0.452 120.904 120.500 -0.081 0.000 2.700 35 R HA 0.122 4.460 4.340 -0.003 0.000 0.253 35 R C -1.131 175.190 176.300 0.035 0.000 1.091 35 R CA -1.741 54.344 56.100 -0.025 0.000 1.104 35 R CB 1.830 32.100 30.300 -0.050 0.000 1.202 35 R HN -0.398 7.776 8.270 -0.116 0.026 0.532 36 H N 0.810 119.850 119.070 -0.049 0.000 2.547 36 H HA 0.178 4.830 4.556 -0.037 -0.119 0.342 36 H C -0.651 174.660 175.328 -0.028 0.000 1.048 36 H CA -1.181 54.845 56.048 -0.037 0.000 1.204 36 H CB 2.297 32.039 29.762 -0.032 0.000 1.493 36 H HN 0.115 8.468 8.280 0.121 0.000 0.511 37 I N 6.251 126.524 120.570 -0.495 0.000 2.396 37 I HA -0.119 3.919 4.170 -0.220 0.000 0.289 37 I C -0.769 175.046 176.117 -0.504 0.000 1.056 37 I CA -0.353 60.729 61.300 -0.364 0.000 1.365 37 I CB -1.060 36.807 38.000 -0.223 0.000 1.407 37 I HN 0.312 8.617 8.210 -0.475 -0.380 0.509 38 S N 6.892 122.454 115.700 -0.230 0.000 2.427 38 S HA 0.085 4.492 4.470 -0.105 0.000 0.224 38 S C -0.082 174.461 174.600 -0.095 0.000 1.047 38 S CA 1.259 59.395 58.200 -0.106 0.000 0.953 38 S CB 1.502 64.703 63.200 0.003 0.000 0.824 38 S HN 0.594 9.134 8.310 -0.149 -0.319 0.502 39 D N 0.352 120.694 120.400 -0.096 0.000 2.686 39 D HA 0.269 4.815 4.640 -0.157 0.000 0.249 39 D C -0.970 175.255 176.300 -0.125 0.000 1.260 39 D CA -1.237 52.692 54.000 -0.118 0.000 0.910 39 D CB 2.387 43.147 40.800 -0.067 0.000 1.323 39 D HN -0.707 7.881 8.370 -0.084 -0.268 0.561 40 L N 5.750 126.845 121.223 -0.213 0.000 2.265 40 L HA -0.207 4.100 4.340 -0.056 0.000 0.215 40 L C 0.464 177.360 176.870 0.043 0.000 1.117 40 L CA 2.113 56.876 54.840 -0.129 0.000 0.782 40 L CB 0.316 42.269 42.059 -0.176 0.000 0.914 40 L HN 0.680 8.732 8.230 -0.296 0.000 0.441 41 Y N -6.338 113.970 120.300 0.013 0.000 2.466 41 Y HA -0.054 4.506 4.550 0.016 0.000 0.272 41 Y C 0.633 176.534 175.900 0.002 0.000 1.169 41 Y CA -1.905 56.202 58.100 0.012 0.000 1.285 41 Y CB -1.073 37.395 38.460 0.013 0.000 1.078 41 Y HN -0.517 7.880 8.280 -0.197 -0.235 0.523 42 E N -1.121 119.146 120.200 0.112 0.000 2.306 42 E HA 0.060 4.448 4.350 0.064 0.000 0.201 42 E C 2.032 178.651 176.600 0.032 0.000 0.874 42 E CA 1.527 57.962 56.400 0.060 0.000 0.972 42 E CB 1.111 30.832 29.700 0.034 0.000 0.957 42 E HN -0.626 7.737 8.360 0.072 0.040 0.492 43 D N -0.057 120.353 120.400 0.016 0.000 2.340 43 D HA 0.082 4.720 4.640 -0.003 0.000 0.220 43 D C 0.464 176.763 176.300 -0.001 0.000 1.039 43 D CA 1.657 55.654 54.000 -0.004 0.000 0.866 43 D CB 0.133 40.914 40.800 -0.032 0.000 0.913 43 D HN -0.186 8.192 8.370 0.014 0.000 0.523 44 L N -3.917 117.317 121.223 0.018 0.000 2.693 44 L HA 0.210 4.548 4.340 -0.002 0.000 0.235 44 L C 1.292 178.159 176.870 -0.004 0.000 1.127 44 L CA -0.320 54.527 54.840 0.011 0.000 0.914 44 L CB -0.273 41.809 42.059 0.038 0.000 1.193 44 L HN -0.447 7.769 8.230 0.038 0.037 0.502 45 R N 0.850 121.349 120.500 -0.002 0.000 2.120 45 R HA -0.255 4.268 4.340 -0.008 -0.188 0.234 45 R C 1.435 177.703 176.300 -0.054 0.000 1.123 45 R CA 3.364 59.455 56.100 -0.015 0.000 0.975 45 R CB 0.067 30.365 30.300 -0.003 0.000 0.866 45 R HN -0.808 7.466 8.270 0.007 0.000 0.446 46 D N -5.583 114.768 120.400 -0.081 0.000 2.340 46 D HA -0.088 4.470 4.640 -0.137 0.000 0.220 46 D C 0.956 177.116 176.300 -0.234 0.000 1.039 46 D CA -0.449 53.459 54.000 -0.154 0.000 0.866 46 D CB -0.672 40.031 40.800 -0.163 0.000 0.913 46 D HN -0.188 8.141 8.370 -0.067 0.000 0.523 47 G N -0.153 108.559 108.800 -0.146 0.000 2.284 47 G HA2 -0.532 3.384 3.960 -0.073 0.000 0.261 47 G HA3 -0.532 3.344 3.960 -0.141 0.000 0.261 47 G C 0.826 175.679 174.900 -0.078 0.000 0.997 47 G CA 1.621 46.648 45.100 -0.121 0.000 0.621 47 G HN -0.302 7.869 8.290 -0.097 0.060 0.534 48 H N 2.706 121.736 119.070 -0.067 0.000 2.326 48 H HA -0.238 4.260 4.556 -0.097 0.000 0.301 48 H C 1.948 177.205 175.328 -0.119 0.000 1.081 48 H CA 3.406 59.398 56.048 -0.094 0.000 1.334 48 H CB -0.426 29.279 29.762 -0.095 0.000 1.385 48 H HN -0.137 8.298 8.280 -0.170 -0.258 0.504 49 N N -1.902 116.812 118.700 0.023 0.000 2.166 49 N HA -0.270 4.418 4.740 -0.086 0.000 0.186 49 N C 1.560 177.036 175.510 -0.056 0.000 1.019 49 N CA 3.189 56.211 53.050 -0.046 0.000 0.856 49 N CB -0.746 37.716 38.487 -0.042 0.000 0.993 49 N HN 0.018 8.417 8.380 0.032 0.000 0.426 50 L N 0.385 121.589 121.223 -0.032 0.000 2.046 50 L HA -0.273 4.053 4.340 -0.023 0.000 0.208 50 L C 1.666 178.508 176.870 -0.047 0.000 1.077 50 L CA 2.828 57.651 54.840 -0.027 0.000 0.747 50 L CB -0.038 42.015 42.059 -0.010 0.000 0.896 50 L HN -0.511 7.706 8.230 -0.022 0.000 0.432 51 I N -0.802 119.741 120.570 -0.046 0.000 2.179 51 I HA -0.648 3.475 4.170 -0.078 0.000 0.242 51 I C 1.733 177.783 176.117 -0.113 0.000 1.088 51 I CA 4.524 65.783 61.300 -0.068 0.000 1.357 51 I CB -0.154 37.828 38.000 -0.030 0.000 1.051 51 I HN -0.361 7.833 8.210 -0.028 0.000 0.409 52 S N 0.439 116.048 115.700 -0.151 0.000 2.370 52 S HA -0.351 4.126 4.470 -0.259 -0.162 0.226 52 S C 2.114 176.618 174.600 -0.161 0.000 1.033 52 S CA 3.109 61.160 58.200 -0.248 0.000 1.011 52 S CB 0.041 62.989 63.200 -0.419 0.000 0.852 52 S HN -0.311 7.918 8.310 -0.135 0.000 0.457 53 L N 2.393 123.532 121.223 -0.139 0.000 2.017 53 L HA -0.292 3.963 4.340 -0.142 0.000 0.208 53 L C 1.032 177.797 176.870 -0.176 0.000 1.073 53 L CA 3.136 57.892 54.840 -0.140 0.000 0.745 53 L CB -0.240 41.755 42.059 -0.106 0.000 0.894 53 L HN -0.449 7.705 8.230 -0.126 0.000 0.432 54 L N -2.682 118.445 121.223 -0.160 0.000 2.131 54 L HA -0.501 3.670 4.340 -0.281 0.000 0.210 54 L C 2.300 179.061 176.870 -0.182 0.000 1.092 54 L CA 3.179 57.901 54.840 -0.197 0.000 0.759 54 L CB -0.703 41.273 42.059 -0.140 0.000 0.903 54 L HN -0.520 7.632 8.230 -0.129 0.000 0.435 55 E N -0.354 119.766 120.200 -0.134 0.000 2.051 55 E HA -0.299 4.224 4.350 0.025 -0.158 0.192 55 E C 2.858 179.465 176.600 0.012 0.000 0.991 55 E CA 2.910 59.292 56.400 -0.030 0.000 0.799 55 E CB 0.096 29.763 29.700 -0.055 0.000 0.748 55 E HN -0.239 8.030 8.360 -0.135 0.011 0.449 56 V N -0.937 118.924 119.914 -0.089 0.000 2.427 56 V HA -0.293 3.867 4.120 0.067 0.000 0.248 56 V C 0.988 177.079 176.094 -0.006 0.000 1.051 56 V CA 2.991 65.273 62.300 -0.029 0.000 1.048 56 V CB -0.358 31.427 31.823 -0.064 0.000 0.666 56 V HN -0.463 7.669 8.190 -0.098 0.000 0.456 57 L N -3.281 117.852 121.223 -0.150 0.000 2.156 57 L HA -0.181 4.102 4.340 -0.096 0.000 0.208 57 L C 1.308 178.135 176.870 -0.071 0.000 1.095 57 L CA 2.163 56.847 54.840 -0.260 0.000 0.770 57 L CB 0.224 41.748 42.059 -0.891 0.000 0.914 57 L HN -0.371 7.727 8.230 -0.220 0.000 0.439 58 S N -4.617 111.098 115.700 0.025 0.000 2.492 58 S HA 0.007 4.733 4.470 0.426 0.000 0.218 58 S C 1.537 176.268 174.600 0.217 0.000 1.016 58 S CA 0.671 59.039 58.200 0.280 0.000 0.916 58 S CB 2.126 65.565 63.200 0.398 0.000 0.791 58 S HN -0.353 7.922 8.310 -0.022 0.022 0.513 59 G N 2.290 111.208 108.800 0.196 0.000 2.212 59 G HA2 -0.358 3.719 3.960 0.196 0.000 0.266 59 G HA3 -0.358 3.646 3.960 0.073 0.000 0.266 59 G C -0.344 174.617 174.900 0.101 0.000 0.978 59 G CA 0.481 45.669 45.100 0.147 0.000 0.632 59 G HN -0.268 8.146 8.290 0.207 0.000 0.537 60 D N 1.786 122.293 120.400 0.177 0.000 2.304 60 D HA 0.182 4.875 4.640 0.088 0.000 0.247 60 D C -0.836 175.590 176.300 0.210 0.000 1.089 60 D CA 0.195 54.280 54.000 0.142 0.000 0.910 60 D CB 1.138 42.026 40.800 0.147 0.000 1.199 60 D HN -0.367 8.041 8.370 0.195 0.079 0.426 61 S N 0.954 116.756 115.700 0.169 0.000 2.554 61 S HA 0.217 5.022 4.470 0.307 -0.151 0.278 61 S C -0.741 173.913 174.600 0.089 0.000 1.242 61 S CA 0.117 58.439 58.200 0.204 0.000 1.051 61 S CB 1.055 64.359 63.200 0.175 0.000 0.986 61 S HN 0.079 8.455 8.310 0.109 0.000 0.502 62 L N 4.129 125.384 121.223 0.054 0.000 2.354 62 L HA 0.519 4.865 4.340 0.009 0.000 0.264 62 L C -2.348 174.539 176.870 0.028 0.000 1.008 62 L CA -3.399 51.439 54.840 -0.002 0.000 0.819 62 L CB 1.126 43.121 42.059 -0.108 0.000 1.339 62 L HN -0.152 8.387 8.230 0.078 -0.263 0.420 63 P HA 0.052 4.498 4.420 0.044 0.000 0.274 63 P C -1.724 175.597 177.300 0.036 0.000 1.246 63 P CA -0.512 62.612 63.100 0.040 0.000 0.795 63 P CB 0.667 32.394 31.700 0.046 0.000 1.006 64 R N -1.371 119.155 120.500 0.045 0.000 2.561 64 R HA 0.032 4.518 4.340 0.066 -0.106 0.266 64 R C -1.291 175.055 176.300 0.077 0.000 1.091 64 R CA -0.792 55.347 56.100 0.065 0.000 0.927 64 R CB 2.822 33.153 30.300 0.051 0.000 1.240 64 R HN -0.136 8.161 8.270 0.045 0.000 0.449 65 E N 4.756 125.009 120.200 0.088 0.000 2.249 65 E HA 0.142 4.535 4.350 0.071 0.000 0.280 65 E C -0.468 176.186 176.600 0.090 0.000 1.016 65 E CA -0.931 55.514 56.400 0.075 0.000 0.830 65 E CB 1.041 30.777 29.700 0.059 0.000 1.081 65 E HN 0.254 8.994 8.360 0.072 -0.338 0.395 66 K N 1.361 121.754 120.400 -0.012 0.000 2.354 66 K HA 0.171 4.564 4.320 0.122 0.000 0.194 66 K C 0.725 177.234 176.600 -0.152 0.000 1.038 66 K CA -0.428 55.852 56.287 -0.012 0.000 1.052 66 K CB 0.532 33.012 32.500 -0.033 0.000 0.861 66 K HN 0.210 8.434 8.250 -0.044 0.000 0.535 67 G N -1.164 107.315 108.800 -0.535 0.000 2.683 67 G HA2 0.045 3.789 3.960 -0.359 0.000 0.260 67 G HA3 0.045 3.045 3.960 -1.600 0.000 0.260 67 G C -0.446 174.342 174.900 -0.187 0.000 1.238 67 G CA -0.560 44.106 45.100 -0.725 0.000 0.934 67 G HN -0.457 7.407 8.290 -0.709 0.000 0.534 68 R N -2.986 117.585 120.500 0.118 0.000 2.565 68 R HA 0.257 4.659 4.340 0.103 0.000 0.347 68 R C -0.711 175.714 176.300 0.209 0.000 1.010 68 R CA -0.948 55.240 56.100 0.148 0.000 1.126 68 R CB 0.003 30.346 30.300 0.071 0.000 1.331 68 R HN 0.209 8.569 8.270 0.151 0.000 0.552 69 M N 0.111 119.937 119.600 0.378 0.000 2.245 69 M HA 0.240 4.789 4.480 0.116 0.000 0.292 69 M C 0.852 177.196 176.300 0.074 0.000 1.176 69 M CA -1.654 53.744 55.300 0.163 0.000 1.035 69 M CB 0.374 33.032 32.600 0.098 0.000 1.440 69 M HN -0.839 7.894 8.290 0.739 0.000 0.494 70 R N 1.038 121.554 120.500 0.027 0.000 2.105 70 R HA -0.361 3.969 4.340 -0.017 0.000 0.239 70 R C 1.976 178.240 176.300 -0.060 0.000 1.135 70 R CA 3.821 59.916 56.100 -0.009 0.000 0.967 70 R CB -0.481 29.821 30.300 0.003 0.000 0.861 70 R HN 0.564 8.854 8.270 0.034 0.000 0.442 71 F N -2.378 117.464 119.950 -0.180 0.000 2.095 71 F HA -0.316 4.124 4.527 -0.145 0.000 0.298 71 F C 1.188 176.860 175.800 -0.214 0.000 1.104 71 F CA 3.367 61.230 58.000 -0.228 0.000 1.232 71 F CB -0.358 38.441 39.000 -0.335 0.000 0.987 71 F HN 0.029 8.341 8.300 0.049 0.017 0.475 72 H N -2.017 116.815 119.070 -0.397 0.000 2.353 72 H HA -0.293 3.738 4.556 -0.874 0.000 0.300 72 H C 2.687 177.779 175.328 -0.392 0.000 1.090 72 H CA 3.493 59.245 56.048 -0.492 0.000 1.327 72 H CB -0.462 29.224 29.762 -0.125 0.000 1.383 72 H HN -0.525 7.449 8.280 -0.510 0.000 0.508 73 K N 0.155 120.458 120.400 -0.161 0.000 2.026 73 K HA -0.203 4.173 4.320 -0.187 -0.168 0.208 73 K C 2.508 179.000 176.600 -0.180 0.000 1.048 73 K CA 3.255 59.444 56.287 -0.162 0.000 0.929 73 K CB 0.001 32.439 32.500 -0.104 0.000 0.713 73 K HN -0.818 7.363 8.250 -0.115 0.000 0.439 74 L N -2.091 119.017 121.223 -0.193 0.000 2.083 74 L HA -0.353 3.918 4.340 -0.115 0.000 0.209 74 L C 2.110 178.862 176.870 -0.197 0.000 1.083 74 L CA 3.040 57.782 54.840 -0.162 0.000 0.752 74 L CB -0.336 41.645 42.059 -0.130 0.000 0.899 74 L HN -0.177 7.935 8.230 -0.197 0.000 0.433 75 Q N -1.084 118.508 119.800 -0.347 0.000 2.119 75 Q HA -0.334 3.875 4.340 -0.218 0.000 0.201 75 Q C 2.296 178.187 176.000 -0.182 0.000 0.972 75 Q CA 2.845 58.461 55.803 -0.312 0.000 0.847 75 Q CB -0.511 27.869 28.738 -0.595 0.000 0.903 75 Q HN -0.146 7.829 8.270 -0.492 0.000 0.433 76 N N -0.092 118.497 118.700 -0.185 0.000 2.166 76 N HA -0.266 4.426 4.740 -0.079 0.000 0.186 76 N C 2.258 177.720 175.510 -0.080 0.000 1.019 76 N CA 3.219 56.199 53.050 -0.116 0.000 0.856 76 N CB -0.232 38.155 38.487 -0.166 0.000 0.993 76 N HN -0.368 7.876 8.380 -0.227 0.000 0.426 77 V N -0.106 119.754 119.914 -0.089 0.000 2.358 77 V HA -0.397 3.700 4.120 -0.039 0.000 0.246 77 V C 1.631 177.710 176.094 -0.026 0.000 1.047 77 V CA 4.398 66.667 62.300 -0.051 0.000 1.035 77 V CB -0.618 31.174 31.823 -0.052 0.000 0.658 77 V HN -0.299 7.817 8.190 -0.113 0.006 0.452 78 Q N 0.056 119.833 119.800 -0.038 0.000 2.096 78 Q HA -0.299 4.039 4.340 -0.004 0.000 0.204 78 Q C 2.381 178.388 176.000 0.011 0.000 0.982 78 Q CA 2.993 58.788 55.803 -0.014 0.000 0.850 78 Q CB -0.558 28.163 28.738 -0.028 0.000 0.901 78 Q HN -0.548 7.684 8.270 -0.063 0.000 0.422 79 I N -0.889 119.683 120.570 0.004 0.000 2.163 79 I HA -0.560 3.639 4.170 0.049 0.000 0.243 79 I C 1.705 177.867 176.117 0.074 0.000 1.085 79 I CA 4.184 65.506 61.300 0.036 0.000 1.347 79 I CB -0.287 37.725 38.000 0.019 0.000 1.044 79 I HN -0.121 8.077 8.210 -0.020 0.000 0.408 80 A N -0.499 122.350 122.820 0.049 0.000 1.877 80 A HA -0.331 4.042 4.320 0.088 0.000 0.216 80 A C 2.068 179.728 177.584 0.126 0.000 1.186 80 A CA 3.219 55.303 52.037 0.079 0.000 0.620 80 A CB -0.668 18.353 19.000 0.034 0.000 0.822 80 A HN -0.645 7.517 8.150 0.021 0.000 0.443 81 L N -2.978 118.291 121.223 0.077 0.000 2.109 81 L HA -0.428 3.952 4.340 0.067 0.000 0.207 81 L C 2.161 179.076 176.870 0.074 0.000 1.086 81 L CA 2.785 57.664 54.840 0.065 0.000 0.760 81 L CB -0.552 41.527 42.059 0.033 0.000 0.910 81 L HN -0.295 7.966 8.230 0.052 0.000 0.437 82 D N -0.537 119.912 120.400 0.082 0.000 2.117 82 D HA -0.310 4.362 4.640 0.054 0.000 0.197 82 D C 2.204 178.583 176.300 0.132 0.000 0.987 82 D CA 3.686 57.735 54.000 0.082 0.000 0.829 82 D CB -0.189 40.651 40.800 0.066 0.000 0.961 82 D HN 0.198 8.613 8.370 0.075 0.000 0.460 83 Y N 0.987 121.325 120.300 0.063 0.000 2.207 83 Y HA -0.422 4.214 4.550 0.144 0.000 0.287 83 Y C 1.369 177.315 175.900 0.077 0.000 1.156 83 Y CA 3.516 61.676 58.100 0.100 0.000 1.182 83 Y CB -0.042 38.471 38.460 0.089 0.000 0.979 83 Y HN -0.532 7.927 8.280 0.299 0.000 0.521 84 L N -2.144 119.112 121.223 0.055 0.000 2.044 84 L HA -0.329 3.896 4.340 -0.191 0.000 0.205 84 L C 2.324 179.108 176.870 -0.144 0.000 1.075 84 L CA 2.252 57.039 54.840 -0.088 0.000 0.747 84 L CB -0.841 41.221 42.059 0.005 0.000 0.903 84 L HN -0.670 7.551 8.230 0.161 0.105 0.435 85 R N -0.666 119.803 120.500 -0.051 0.000 2.080 85 R HA -0.378 3.932 4.340 -0.050 0.000 0.236 85 R C 2.781 179.070 176.300 -0.019 0.000 1.137 85 R CA 3.490 59.571 56.100 -0.032 0.000 0.943 85 R CB -0.384 29.919 30.300 0.005 0.000 0.846 85 R HN -0.421 7.842 8.270 -0.010 0.000 0.431 86 H N 0.613 119.606 119.070 -0.127 0.000 2.431 86 H HA -0.188 4.312 4.556 -0.094 0.000 0.297 86 H C 1.382 176.594 175.328 -0.194 0.000 1.115 86 H CA 2.577 58.542 56.048 -0.140 0.000 1.277 86 H CB -0.083 29.604 29.762 -0.125 0.000 1.372 86 H HN -0.054 8.280 8.280 0.089 0.000 0.516 87 R N -3.538 116.761 120.500 -0.335 0.000 2.391 87 R HA 0.062 4.174 4.340 -0.381 0.000 0.249 87 R C -1.198 174.966 176.300 -0.227 0.000 0.957 87 R CA -0.326 55.556 56.100 -0.364 0.000 1.093 87 R CB -0.111 29.907 30.300 -0.471 0.000 1.156 87 R HN -0.796 7.163 8.270 -0.330 0.113 0.526 88 Q N -5.010 114.694 119.800 -0.160 0.000 2.468 88 Q HA -0.439 3.899 4.340 -0.074 -0.042 0.289 88 Q C -1.239 174.705 176.000 -0.093 0.000 1.299 88 Q CA 0.716 56.461 55.803 -0.097 0.000 0.838 88 Q CB -2.911 25.784 28.738 -0.072 0.000 1.195 88 Q HN 0.074 8.089 8.270 -0.142 0.170 0.456 89 V N -0.095 119.732 119.914 -0.146 0.000 2.465 89 V HA 0.038 4.101 4.120 -0.095 0.000 0.279 89 V C -0.126 175.921 176.094 -0.079 0.000 1.045 89 V CA -1.087 61.128 62.300 -0.142 0.000 0.938 89 V CB 0.540 32.198 31.823 -0.276 0.000 0.986 89 V HN -0.629 7.461 8.190 -0.168 0.000 0.467 90 K N 7.830 128.199 120.400 -0.050 0.000 2.278 90 K HA -0.026 4.278 4.320 -0.026 0.000 0.289 90 K C -0.976 175.610 176.600 -0.023 0.000 1.080 90 K CA -0.347 55.923 56.287 -0.029 0.000 0.934 90 K CB -0.477 32.013 32.500 -0.017 0.000 1.093 90 K HN 0.209 8.431 8.250 -0.045 0.000 0.459 91 L N 6.807 128.020 121.223 -0.017 0.000 2.296 91 L HA 0.201 4.542 4.340 0.002 0.000 0.286 91 L C -0.747 176.125 176.870 0.004 0.000 1.023 91 L CA -1.294 53.544 54.840 -0.004 0.000 0.812 91 L CB 0.960 43.017 42.059 -0.003 0.000 1.223 91 L HN 0.092 8.311 8.230 -0.020 0.000 0.421 92 V N 3.009 122.931 119.914 0.013 0.000 2.841 92 V HA 0.220 4.346 4.120 0.009 0.000 0.310 92 V C -0.603 175.500 176.094 0.016 0.000 1.090 92 V CA -0.989 61.318 62.300 0.013 0.000 0.930 92 V CB 3.070 34.900 31.823 0.012 0.000 1.014 92 V HN 0.169 8.370 8.190 0.019 0.000 0.425 93 N N 1.692 120.399 118.700 0.012 0.000 2.901 93 N HA -0.209 4.536 4.740 0.007 0.000 0.248 93 N C -1.354 174.162 175.510 0.010 0.000 1.044 93 N CA 0.858 53.914 53.050 0.010 0.000 0.847 93 N CB -0.002 38.492 38.487 0.012 0.000 1.127 93 N HN 0.247 8.632 8.380 0.009 0.000 0.562 94 I N -0.578 119.998 120.570 0.011 0.000 2.389 94 I HA 0.193 4.367 4.170 0.008 0.000 0.288 94 I C -1.218 174.903 176.117 0.006 0.000 0.999 94 I CA -0.916 60.390 61.300 0.010 0.000 1.129 94 I CB 1.034 39.044 38.000 0.017 0.000 1.288 94 I HN -0.521 7.660 8.210 0.011 0.035 0.444 95 R N 5.414 125.915 120.500 0.002 0.000 2.758 95 R HA 0.433 4.773 4.340 0.001 0.000 0.265 95 R C 0.061 176.358 176.300 -0.005 0.000 1.016 95 R CA -2.163 53.936 56.100 -0.001 0.000 1.040 95 R CB 2.123 32.421 30.300 -0.002 0.000 1.152 95 R HN -0.300 8.235 8.270 -0.000 -0.265 0.503 96 N N 1.039 119.734 118.700 -0.009 0.000 2.144 96 N HA -0.540 4.187 4.740 -0.022 0.000 0.165 96 N C 1.137 176.635 175.510 -0.021 0.000 0.756 96 N CA 3.947 56.985 53.050 -0.019 0.000 0.879 96 N CB -0.351 38.123 38.487 -0.021 0.000 0.975 96 N HN 0.579 8.955 8.380 -0.007 0.000 1.054 97 D N -3.624 116.766 120.400 -0.017 0.000 2.144 97 D HA -0.240 4.387 4.640 -0.021 0.000 0.200 97 D C 1.652 177.942 176.300 -0.017 0.000 0.978 97 D CA 3.521 57.511 54.000 -0.017 0.000 0.833 97 D CB -0.392 40.401 40.800 -0.012 0.000 0.961 97 D HN 0.257 8.599 8.370 -0.014 0.020 0.470 98 D N -1.112 119.280 120.400 -0.014 0.000 2.144 98 D HA -0.174 4.453 4.640 -0.021 0.000 0.200 98 D C 1.523 177.813 176.300 -0.017 0.000 0.978 98 D CA 3.304 57.294 54.000 -0.017 0.000 0.833 98 D CB -0.056 40.735 40.800 -0.014 0.000 0.961 98 D HN -0.595 7.655 8.370 -0.012 0.113 0.470 99 I N -1.087 119.478 120.570 -0.009 0.000 2.406 99 I HA -0.107 4.066 4.170 0.005 0.000 0.249 99 I C 2.802 178.915 176.117 -0.007 0.000 1.122 99 I CA 0.501 61.800 61.300 -0.001 0.000 1.431 99 I CB -0.972 37.030 38.000 0.004 0.000 1.087 99 I HN -0.754 7.450 8.210 -0.009 0.000 0.424 100 A N 0.378 123.186 122.820 -0.019 0.000 2.015 100 A HA -0.198 4.304 4.320 -0.027 -0.198 0.219 100 A C 0.782 178.357 177.584 -0.016 0.000 1.163 100 A CA 2.584 54.606 52.037 -0.025 0.000 0.646 100 A CB -0.168 18.810 19.000 -0.038 0.000 0.806 100 A HN -0.356 7.781 8.150 -0.022 0.000 0.448 101 D N -5.699 114.692 120.400 -0.014 0.000 2.350 101 D HA -0.012 4.623 4.640 -0.009 0.000 0.213 101 D C 0.606 176.900 176.300 -0.010 0.000 1.031 101 D CA 0.316 54.309 54.000 -0.012 0.000 0.861 101 D CB 0.542 41.332 40.800 -0.017 0.000 0.926 101 D HN -0.517 7.818 8.370 -0.016 0.025 0.520 102 G N -1.115 107.681 108.800 -0.007 0.000 2.142 102 G HA2 -0.422 3.554 3.960 0.026 0.000 0.225 102 G HA3 -0.422 3.625 3.960 0.019 -0.076 0.225 102 G C -0.522 174.326 174.900 -0.086 0.000 1.015 102 G CA 0.247 45.345 45.100 -0.002 0.000 0.716 102 G HN -0.661 7.478 8.290 -0.006 0.147 0.508 103 N N 0.858 119.500 118.700 -0.097 0.000 2.417 103 N HA -0.029 4.620 4.740 -0.151 0.000 0.272 103 N C -0.477 174.853 175.510 -0.299 0.000 1.304 103 N CA -1.512 51.447 53.050 -0.152 0.000 0.906 103 N CB 1.384 39.819 38.487 -0.088 0.000 1.135 103 N HN -0.602 7.740 8.380 -0.063 0.000 0.483 104 P HA -0.313 2.984 4.420 -1.873 0.000 0.214 104 P C 0.989 178.034 177.300 -0.425 0.000 1.163 104 P CA 2.600 65.098 63.100 -1.004 0.000 0.883 104 P CB 0.158 31.347 31.700 -0.851 0.000 0.788 105 K N -2.102 118.172 120.400 -0.211 0.000 2.057 105 K HA -0.275 4.015 4.320 -0.049 0.000 0.207 105 K C 2.069 178.655 176.600 -0.024 0.000 1.049 105 K CA 3.372 59.613 56.287 -0.077 0.000 0.931 105 K CB -0.673 31.795 32.500 -0.055 0.000 0.714 105 K HN 0.154 8.281 8.250 -0.205 0.000 0.440 106 L N -3.864 117.336 121.223 -0.039 0.000 2.240 106 L HA -0.207 4.148 4.340 0.025 0.000 0.211 106 L C 1.936 178.828 176.870 0.037 0.000 1.106 106 L CA 2.338 57.180 54.840 0.004 0.000 0.793 106 L CB -0.397 41.657 42.059 -0.009 0.000 0.927 106 L HN -0.212 7.975 8.230 -0.072 0.000 0.446 107 T N 2.673 117.241 114.554 0.023 0.000 2.737 107 T HA -0.365 4.044 4.350 0.099 0.000 0.265 107 T C 2.033 176.855 174.700 0.204 0.000 1.038 107 T CA 5.070 67.235 62.100 0.109 0.000 1.144 107 T CB -0.110 68.845 68.868 0.144 0.000 0.866 107 T HN -0.210 8.005 8.240 -0.042 0.000 0.434 108 L N -0.198 121.171 121.223 0.245 0.000 2.042 108 L HA -0.385 4.261 4.340 0.510 0.000 0.210 108 L C 2.147 179.227 176.870 0.350 0.000 1.076 108 L CA 3.162 58.220 54.840 0.363 0.000 0.749 108 L CB -0.591 41.620 42.059 0.253 0.000 0.893 108 L HN -0.070 8.270 8.230 0.183 0.000 0.432 109 G N -2.037 106.893 108.800 0.217 0.000 2.408 109 G HA2 -0.333 3.792 3.960 0.275 0.000 0.217 109 G HA3 -0.333 3.719 3.960 0.154 0.000 0.217 109 G C 0.957 175.967 174.900 0.184 0.000 1.150 109 G CA 1.818 47.045 45.100 0.212 0.000 0.776 109 G HN -0.349 8.024 8.290 0.158 0.012 0.542 110 L N 1.856 123.155 121.223 0.127 0.000 2.005 110 L HA -0.237 4.139 4.340 0.060 0.000 0.207 110 L C 1.796 178.689 176.870 0.038 0.000 1.072 110 L CA 2.958 57.843 54.840 0.075 0.000 0.744 110 L CB 0.047 42.145 42.059 0.065 0.000 0.895 110 L HN -0.593 7.713 8.230 0.126 0.000 0.433 111 I N -2.095 118.502 120.570 0.045 0.000 2.226 111 I HA -0.468 3.646 4.170 -0.094 0.000 0.245 111 I C 1.790 177.708 176.117 -0.332 0.000 1.100 111 I CA 2.631 63.862 61.300 -0.116 0.000 1.374 111 I CB -1.181 36.759 38.000 -0.099 0.000 1.057 111 I HN -0.389 7.886 8.210 0.109 0.000 0.413 112 W N 0.671 121.714 121.300 -0.428 0.000 2.321 112 W HA -0.515 3.714 4.660 -0.719 0.000 0.306 112 W C 1.865 178.233 176.519 -0.251 0.000 1.217 112 W CA 3.219 60.318 57.345 -0.410 0.000 1.257 112 W CB 0.102 29.528 29.460 -0.057 0.000 1.145 112 W HN 0.156 8.414 8.180 0.131 0.000 0.509 113 T N 1.458 115.869 114.554 -0.239 0.000 2.720 113 T HA -0.478 3.643 4.350 -0.382 0.000 0.268 113 T C 2.095 176.644 174.700 -0.251 0.000 1.037 113 T CA 5.850 67.788 62.100 -0.271 0.000 1.144 113 T CB -0.271 68.550 68.868 -0.078 0.000 0.864 113 T HN -0.497 7.730 8.240 -0.022 0.000 0.444 114 I N 1.270 121.739 120.570 -0.167 0.000 2.202 114 I HA -0.478 3.790 4.170 0.163 0.000 0.242 114 I C 1.629 177.712 176.117 -0.056 0.000 1.091 114 I CA 4.314 65.621 61.300 0.011 0.000 1.368 114 I CB -0.194 37.838 38.000 0.054 0.000 1.058 114 I HN -0.569 7.545 8.210 -0.159 0.000 0.410 115 I N -0.409 119.859 120.570 -0.504 0.000 2.179 115 I HA -0.538 3.223 4.170 -0.682 0.000 0.242 115 I C 2.078 177.859 176.117 -0.561 0.000 1.088 115 I CA 4.265 65.117 61.300 -0.746 0.000 1.357 115 I CB -0.232 37.075 38.000 -1.154 0.000 1.051 115 I HN -0.494 7.344 8.210 -0.619 0.000 0.409 116 L N -0.633 120.118 121.223 -0.787 0.000 2.046 116 L HA -0.430 3.469 4.340 -0.735 0.000 0.208 116 L C 1.241 177.886 176.870 -0.375 0.000 1.077 116 L CA 3.285 57.688 54.840 -0.728 0.000 0.747 116 L CB -0.497 40.983 42.059 -0.965 0.000 0.896 116 L HN -0.051 7.617 8.230 -0.936 0.000 0.432 117 H N -0.760 118.095 119.070 -0.357 0.000 2.403 117 H HA -0.209 4.149 4.556 -0.330 0.000 0.298 117 H C 1.388 176.499 175.328 -0.362 0.000 1.059 117 H CA 3.063 58.901 56.048 -0.349 0.000 1.363 117 H CB 0.551 30.076 29.762 -0.396 0.000 1.410 117 H HN -0.515 7.668 8.280 -0.162 0.000 0.528 118 F N -3.098 116.870 119.950 0.029 0.000 2.446 118 F HA -0.078 4.483 4.527 0.057 0.000 0.292 118 F C 1.058 176.862 175.800 0.008 0.000 1.096 118 F CA 2.829 60.871 58.000 0.070 0.000 1.438 118 F CB 1.186 40.303 39.000 0.196 0.000 1.107 118 F HN -0.304 8.147 8.300 0.251 0.000 0.546 119 Q N -0.870 119.007 119.800 0.128 0.000 2.511 119 Q HA 0.061 4.488 4.340 0.144 0.000 0.236 119 Q C 1.458 177.417 176.000 -0.069 0.000 0.893 119 Q CA 1.796 57.656 55.803 0.094 0.000 0.947 119 Q CB 2.028 30.883 28.738 0.195 0.000 1.110 119 Q HN -0.153 8.145 8.270 0.047 0.000 0.591 120 I N 0.248 120.707 120.570 -0.185 0.000 2.585 120 I HA -0.086 3.946 4.170 -0.230 0.000 0.254 120 I C 1.187 177.158 176.117 -0.242 0.000 1.129 120 I CA 2.323 63.479 61.300 -0.240 0.000 1.455 120 I CB 1.257 39.078 38.000 -0.299 0.000 1.111 120 I HN -0.624 7.450 8.210 -0.227 0.000 0.433 121 S N -0.900 114.652 115.700 -0.248 0.000 2.603 121 S HA -0.223 4.122 4.470 -0.208 0.000 0.229 121 S C 1.128 175.606 174.600 -0.204 0.000 0.972 121 S CA 1.761 59.821 58.200 -0.234 0.000 0.935 121 S CB -0.331 62.705 63.200 -0.275 0.000 0.769 121 S HN -0.410 7.740 8.310 -0.267 0.000 0.536 122 D N 0.358 120.649 120.400 -0.182 0.000 2.355 122 D HA 0.035 4.607 4.640 -0.114 0.000 0.218 122 D C 0.468 176.699 176.300 -0.115 0.000 1.004 122 D CA 0.899 54.827 54.000 -0.120 0.000 0.880 122 D CB 0.210 40.979 40.800 -0.053 0.000 0.911 122 D HN -0.400 7.788 8.370 -0.181 0.074 0.528 123 I N -0.024 120.404 120.570 -0.236 0.000 2.692 123 I HA -0.282 3.602 4.170 -0.477 0.000 0.284 123 I C -1.677 174.355 176.117 -0.142 0.000 1.159 123 I CA 0.493 61.559 61.300 -0.390 0.000 1.423 123 I CB 0.525 38.143 38.000 -0.637 0.000 1.380 123 I HN -0.738 7.261 8.210 -0.256 0.057 0.580 124 Q N 5.682 125.477 119.800 -0.009 0.000 2.271 124 Q HA 0.279 4.641 4.340 0.037 0.000 0.268 124 Q C -2.064 174.037 176.000 0.168 0.000 1.021 124 Q CA -0.909 54.938 55.803 0.073 0.000 0.802 124 Q CB 2.845 31.632 28.738 0.082 0.000 1.282 124 Q HN -0.279 8.036 8.270 0.076 0.000 0.431 125 V N 2.916 122.927 119.914 0.161 0.000 2.808 125 V HA 0.351 4.619 4.120 0.248 0.000 0.308 125 V C -1.648 174.543 176.094 0.162 0.000 1.099 125 V CA -1.381 61.058 62.300 0.232 0.000 0.920 125 V CB 4.304 36.359 31.823 0.387 0.000 1.014 125 V HN 0.189 8.452 8.190 0.121 0.000 0.425 126 S N 6.202 121.992 115.700 0.149 0.000 2.573 126 S HA -0.231 4.293 4.470 0.089 0.000 0.297 126 S C 0.581 175.236 174.600 0.092 0.000 1.280 126 S CA 1.383 59.645 58.200 0.104 0.000 1.061 126 S CB 0.296 63.553 63.200 0.094 0.000 0.812 126 S HN 0.291 8.702 8.310 0.167 0.000 0.500 127 G N 2.334 111.176 108.800 0.069 0.000 2.198 127 G HA2 -0.376 3.614 3.960 0.049 0.000 0.257 127 G HA3 -0.376 3.619 3.960 0.059 0.000 0.257 127 G C -0.441 174.497 174.900 0.062 0.000 1.042 127 G CA 0.312 45.447 45.100 0.059 0.000 0.791 127 G HN 0.499 8.827 8.290 0.062 0.000 0.502 128 Q N -0.817 119.021 119.800 0.064 0.000 2.392 128 Q HA -0.201 4.175 4.340 0.061 0.000 0.262 128 Q C 0.656 176.680 176.000 0.041 0.000 1.003 128 Q CA 0.141 55.978 55.803 0.056 0.000 0.888 128 Q CB 0.632 29.399 28.738 0.049 0.000 1.260 128 Q HN -0.447 7.863 8.270 0.067 0.000 0.435 129 S N 1.542 117.264 115.700 0.036 0.000 2.562 129 S HA -0.135 4.350 4.470 0.025 0.000 0.256 129 S C -0.169 174.444 174.600 0.022 0.000 1.248 129 S CA -0.082 58.134 58.200 0.027 0.000 0.988 129 S CB 0.581 63.796 63.200 0.026 0.000 1.035 129 S HN 0.331 8.665 8.310 0.040 0.000 0.548 130 E N -3.092 117.118 120.200 0.016 0.000 2.639 130 E HA 0.120 4.475 4.350 0.008 0.000 0.225 130 E C 0.139 176.742 176.600 0.006 0.000 0.921 130 E CA 0.205 56.611 56.400 0.009 0.000 1.184 130 E CB 0.796 30.500 29.700 0.006 0.000 1.160 130 E HN 0.261 8.630 8.360 0.015 0.000 0.547 131 D N -0.788 119.618 120.400 0.010 0.000 2.363 131 D HA -0.121 4.523 4.640 0.007 0.000 0.226 131 D C 0.376 176.685 176.300 0.015 0.000 1.020 131 D CA 0.473 54.479 54.000 0.010 0.000 0.892 131 D CB 0.001 40.809 40.800 0.012 0.000 0.900 131 D HN 0.026 8.403 8.370 0.012 0.000 0.531 132 M N 0.626 120.237 119.600 0.018 0.000 2.185 132 M HA -0.082 4.589 4.480 0.031 -0.173 0.357 132 M C -0.116 176.196 176.300 0.018 0.000 1.260 132 M CA 0.203 55.519 55.300 0.026 0.000 1.124 132 M CB 1.273 33.893 32.600 0.033 0.000 1.600 132 M HN -0.659 7.561 8.290 0.017 0.080 0.467 133 T N 4.786 119.357 114.554 0.028 0.000 2.868 133 T HA 0.085 4.440 4.350 0.008 0.000 0.292 133 T C 0.876 175.587 174.700 0.019 0.000 1.028 133 T CA 0.446 62.560 62.100 0.023 0.000 1.059 133 T CB 2.201 71.096 68.868 0.044 0.000 0.991 133 T HN -0.104 8.455 8.240 0.037 -0.297 0.531 134 A N 5.800 128.615 122.820 -0.009 0.000 1.908 134 A HA -0.246 4.040 4.320 -0.057 0.000 0.218 134 A C 1.724 179.311 177.584 0.005 0.000 1.181 134 A CA 3.808 55.821 52.037 -0.040 0.000 0.627 134 A CB -0.396 18.548 19.000 -0.094 0.000 0.818 134 A HN 0.602 8.741 8.150 -0.018 0.000 0.445 135 K N -1.897 118.541 120.400 0.062 0.000 2.097 135 K HA -0.256 4.140 4.320 0.125 0.000 0.206 135 K C 1.851 178.604 176.600 0.254 0.000 1.049 135 K CA 2.984 59.368 56.287 0.162 0.000 0.933 135 K CB -0.568 32.047 32.500 0.192 0.000 0.717 135 K HN 0.246 8.531 8.250 0.059 0.000 0.442 136 E N -1.702 118.597 120.200 0.166 0.000 2.110 136 E HA -0.322 4.128 4.350 0.166 0.000 0.193 136 E C 2.347 179.035 176.600 0.147 0.000 0.988 136 E CA 3.517 60.005 56.400 0.148 0.000 0.804 136 E CB -0.329 29.428 29.700 0.095 0.000 0.745 136 E HN 0.272 8.708 8.360 0.126 0.000 0.458 137 K N -0.936 119.530 120.400 0.110 0.000 2.097 137 K HA -0.250 4.140 4.320 0.118 0.000 0.206 137 K C 2.392 179.092 176.600 0.166 0.000 1.049 137 K CA 3.320 59.669 56.287 0.104 0.000 0.933 137 K CB -0.163 32.351 32.500 0.024 0.000 0.717 137 K HN -0.426 7.873 8.250 0.081 0.000 0.442 138 L N -0.304 121.025 121.223 0.176 0.000 2.156 138 L HA -0.209 4.245 4.340 0.190 0.000 0.208 138 L C 1.612 178.823 176.870 0.568 0.000 1.095 138 L CA 2.767 57.781 54.840 0.289 0.000 0.770 138 L CB -0.268 41.894 42.059 0.172 0.000 0.914 138 L HN -0.492 7.742 8.230 0.149 0.086 0.439 139 L N -0.362 121.155 121.223 0.489 0.000 2.027 139 L HA -0.293 4.149 4.340 0.172 0.000 0.206 139 L C 1.321 178.314 176.870 0.205 0.000 1.074 139 L CA 3.025 58.009 54.840 0.241 0.000 0.745 139 L CB -0.348 41.743 42.059 0.054 0.000 0.898 139 L HN -0.289 8.203 8.230 0.436 0.000 0.433 140 L N -0.650 120.696 121.223 0.206 0.000 2.012 140 L HA -0.372 4.208 4.340 0.113 -0.172 0.210 140 L C 2.015 179.023 176.870 0.229 0.000 1.073 140 L CA 3.191 58.134 54.840 0.171 0.000 0.748 140 L CB -0.410 41.743 42.059 0.157 0.000 0.891 140 L HN -0.148 8.207 8.230 0.208 0.000 0.431 141 W N -1.084 120.303 121.300 0.143 0.000 2.321 141 W HA -0.511 4.257 4.660 0.179 0.000 0.306 141 W C 1.653 178.296 176.519 0.206 0.000 1.217 141 W CA 4.327 61.786 57.345 0.190 0.000 1.257 141 W CB -0.098 29.502 29.460 0.234 0.000 1.145 141 W HN -0.187 8.288 8.180 0.491 0.000 0.509 142 S N -0.823 115.069 115.700 0.320 0.000 2.368 142 S HA -0.485 3.919 4.470 -0.111 0.000 0.224 142 S C 2.234 176.792 174.600 -0.070 0.000 1.029 142 S CA 3.245 61.521 58.200 0.127 0.000 0.988 142 S CB -0.210 63.283 63.200 0.487 0.000 0.838 142 S HN -0.542 7.988 8.310 0.510 0.086 0.462 143 Q N 1.010 120.800 119.800 -0.016 0.000 2.096 143 Q HA -0.330 3.955 4.340 -0.093 0.000 0.204 143 Q C 3.129 179.089 176.000 -0.067 0.000 0.982 143 Q CA 3.220 58.988 55.803 -0.058 0.000 0.850 143 Q CB -0.168 28.555 28.738 -0.025 0.000 0.901 143 Q HN -0.173 8.127 8.270 0.049 0.000 0.422 144 R N -1.107 119.354 120.500 -0.065 0.000 2.081 144 R HA -0.235 4.084 4.340 -0.034 0.000 0.235 144 R C 2.679 178.910 176.300 -0.116 0.000 1.131 144 R CA 2.854 58.912 56.100 -0.069 0.000 0.960 144 R CB -0.084 30.191 30.300 -0.042 0.000 0.856 144 R HN -0.239 8.006 8.270 -0.042 0.000 0.436 145 M N -3.765 115.678 119.600 -0.261 0.000 2.374 145 M HA -0.144 4.229 4.480 -0.179 0.000 0.264 145 M C 0.580 176.835 176.300 -0.075 0.000 1.067 145 M CA 1.428 56.576 55.300 -0.254 0.000 1.103 145 M CB -0.436 31.823 32.600 -0.567 0.000 1.402 145 M HN -0.350 7.727 8.290 -0.355 0.000 0.444 146 V N -8.536 111.336 119.914 -0.071 0.000 3.214 146 V HA 0.310 4.500 4.120 0.117 0.000 0.330 146 V C 0.519 176.704 176.094 0.151 0.000 1.403 146 V CA -2.636 59.679 62.300 0.024 0.000 1.143 146 V CB -1.089 30.632 31.823 -0.170 0.000 1.098 146 V HN -0.698 7.402 8.190 -0.109 0.025 0.463 147 E N 3.513 123.762 120.200 0.082 0.000 2.058 147 E HA -0.348 4.014 4.350 0.019 0.000 0.194 147 E C 0.984 177.605 176.600 0.035 0.000 0.997 147 E CA 2.886 59.309 56.400 0.038 0.000 0.801 147 E CB -0.198 29.505 29.700 0.005 0.000 0.746 147 E HN -0.872 7.458 8.360 0.048 0.059 0.450 148 G N -3.850 104.952 108.800 0.004 0.000 2.708 148 G HA2 -0.157 3.731 3.960 -0.120 0.000 0.210 148 G HA3 -0.157 3.636 3.960 -0.278 0.000 0.210 148 G C 0.005 174.763 174.900 -0.236 0.000 1.141 148 G CA 0.021 45.021 45.100 -0.167 0.000 0.788 148 G HN 0.074 8.387 8.290 0.038 0.000 0.531 149 Y N -0.879 119.405 120.300 -0.027 0.000 2.342 149 Y HA 0.062 4.616 4.550 0.006 0.000 0.334 149 Y C 0.803 176.707 175.900 0.007 0.000 1.067 149 Y CA -0.424 57.674 58.100 -0.004 0.000 1.128 149 Y CB 0.439 38.888 38.460 -0.018 0.000 1.200 149 Y HN -0.921 7.440 8.280 0.241 0.064 0.464 150 Q N 5.413 125.299 119.800 0.142 0.000 1.800 150 Q HA -0.276 4.058 4.340 -0.010 0.000 0.289 150 Q C 1.785 177.801 176.000 0.027 0.000 1.015 150 Q CA 2.063 57.879 55.803 0.020 0.000 0.890 150 Q CB -0.195 28.481 28.738 -0.104 0.000 0.958 150 Q HN 0.626 9.001 8.270 0.175 0.000 0.416 151 G N -2.212 106.611 108.800 0.039 0.000 3.496 151 G HA2 0.066 4.022 3.960 -0.008 0.000 0.273 151 G HA3 0.066 4.031 3.960 0.007 0.000 0.273 151 G C -1.298 173.617 174.900 0.025 0.000 1.279 151 G CA -0.382 44.728 45.100 0.017 0.000 1.041 151 G HN 0.098 8.424 8.290 0.060 0.000 0.539 152 L N -0.293 120.947 121.223 0.027 0.000 2.295 152 L HA 0.220 4.521 4.340 -0.064 0.000 0.285 152 L C -0.911 175.908 176.870 -0.085 0.000 1.035 152 L CA -0.623 54.191 54.840 -0.043 0.000 0.806 152 L CB 0.644 42.666 42.059 -0.062 0.000 1.214 152 L HN -0.876 7.320 8.230 0.050 0.064 0.426 153 R N 2.520 122.936 120.500 -0.141 0.000 2.673 153 R HA 0.220 4.480 4.340 -0.133 0.000 0.281 153 R C -1.835 174.318 176.300 -0.245 0.000 0.991 153 R CA -0.949 55.059 56.100 -0.153 0.000 0.896 153 R CB 3.326 33.561 30.300 -0.109 0.000 1.201 153 R HN 0.088 8.262 8.270 -0.159 0.000 0.457 154 C N 6.206 125.358 119.300 -0.246 0.000 2.258 154 C HA 0.194 4.401 4.460 -0.421 0.000 0.321 154 C C -1.095 173.770 174.990 -0.209 0.000 1.168 154 C CA -0.904 57.924 59.018 -0.317 0.000 1.531 154 C CB -0.719 26.818 27.740 -0.339 0.000 2.095 154 C HN 0.562 8.676 8.230 -0.194 0.000 0.449 155 D N 6.991 127.279 120.400 -0.185 0.000 2.388 155 D HA 0.206 4.785 4.640 -0.102 0.000 0.208 155 D C -0.676 175.559 176.300 -0.108 0.000 1.035 155 D CA 1.538 55.468 54.000 -0.117 0.000 0.875 155 D CB 1.279 42.030 40.800 -0.083 0.000 0.984 155 D HN 0.236 8.482 8.370 -0.205 0.000 0.508 156 N N -4.521 114.105 118.700 -0.123 0.000 3.308 156 N HA 0.037 4.704 4.740 -0.123 0.000 0.276 156 N C -1.850 173.643 175.510 -0.029 0.000 1.533 156 N CA -0.583 52.421 53.050 -0.076 0.000 0.878 156 N CB 0.572 39.079 38.487 0.034 0.000 1.566 156 N HN -0.960 7.338 8.380 -0.137 0.000 0.546 157 F N -3.133 116.981 119.950 0.272 0.000 2.925 157 F HA 0.382 5.150 4.527 0.400 0.000 0.302 157 F C -0.577 175.330 175.800 0.179 0.000 1.189 157 F CA -0.578 57.567 58.000 0.243 0.000 1.346 157 F CB -0.792 38.245 39.000 0.061 0.000 0.954 157 F HN 0.649 9.111 8.300 0.270 0.000 0.506 158 T N -1.539 113.247 114.554 0.387 0.000 2.977 158 T HA 0.197 4.694 4.350 0.245 0.000 0.152 158 T C 1.602 176.464 174.700 0.271 0.000 0.867 158 T CA 1.216 63.473 62.100 0.263 0.000 0.917 158 T CB 0.293 69.248 68.868 0.145 0.000 2.051 158 T HN -0.044 8.680 8.240 0.360 -0.268 0.350 159 T N 2.800 117.447 114.554 0.155 0.000 2.915 159 T HA -0.204 4.209 4.350 0.104 0.000 0.269 159 T C 2.113 176.845 174.700 0.054 0.000 1.071 159 T CA 3.772 65.930 62.100 0.095 0.000 1.132 159 T CB -1.069 67.826 68.868 0.045 0.000 0.878 159 T HN 0.259 8.595 8.240 0.123 -0.022 0.479 160 S N 3.500 119.205 115.700 0.009 0.000 2.440 160 S HA -0.265 4.091 4.470 -0.189 0.000 0.238 160 S C 0.356 174.751 174.600 -0.342 0.000 1.010 160 S CA 2.986 61.057 58.200 -0.215 0.000 0.972 160 S CB -0.012 62.956 63.200 -0.386 0.000 0.774 160 S HN -0.500 8.132 8.310 0.051 -0.292 0.501 161 W N -3.343 117.919 121.300 -0.063 0.000 3.177 161 W HA 0.154 4.668 4.660 -0.243 0.000 0.309 161 W C 1.034 177.555 176.519 0.004 0.000 1.224 161 W CA 0.295 57.565 57.345 -0.126 0.000 1.718 161 W CB 0.242 29.624 29.460 -0.130 0.000 1.078 161 W HN -0.560 7.737 8.180 0.277 0.049 0.618 162 R N 1.436 122.053 120.500 0.195 0.000 2.105 162 R HA -0.393 4.216 4.340 0.217 -0.139 0.239 162 R C 0.286 176.661 176.300 0.126 0.000 1.135 162 R CA 3.453 59.654 56.100 0.167 0.000 0.967 162 R CB 0.078 30.439 30.300 0.102 0.000 0.861 162 R HN -0.836 7.467 8.270 0.144 0.053 0.442 163 D N -7.184 113.253 120.400 0.062 0.000 2.339 163 D HA -0.003 4.661 4.640 0.039 0.000 0.217 163 D C 0.536 176.854 176.300 0.030 0.000 1.050 163 D CA -0.878 53.141 54.000 0.030 0.000 0.856 163 D CB -0.163 40.634 40.800 -0.005 0.000 0.922 163 D HN -0.163 8.200 8.370 0.028 0.024 0.518 164 G N 0.115 108.971 108.800 0.094 0.000 2.199 164 G HA2 -0.537 3.651 3.960 0.379 0.000 0.254 164 G HA3 -0.537 3.470 3.960 0.077 0.000 0.254 164 G C 0.564 175.495 174.900 0.051 0.000 0.982 164 G CA 1.231 46.423 45.100 0.153 0.000 0.632 164 G HN -0.405 7.920 8.290 0.127 0.041 0.529 165 R N 0.779 121.233 120.500 -0.076 0.000 2.090 165 R HA -0.281 3.948 4.340 -0.185 0.000 0.228 165 R C 1.521 177.686 176.300 -0.225 0.000 1.110 165 R CA 3.857 59.851 56.100 -0.177 0.000 0.973 165 R CB 0.107 30.280 30.300 -0.211 0.000 0.869 165 R HN -0.257 8.234 8.270 -0.084 -0.272 0.440 166 L N -2.150 118.884 121.223 -0.315 0.000 2.046 166 L HA -0.337 3.744 4.340 -0.432 0.000 0.208 166 L C 2.033 178.816 176.870 -0.144 0.000 1.077 166 L CA 3.021 57.590 54.840 -0.451 0.000 0.747 166 L CB -0.476 40.947 42.059 -1.060 0.000 0.896 166 L HN -0.150 7.872 8.230 -0.346 0.000 0.432 167 F N -2.593 117.472 119.950 0.191 0.000 2.126 167 F HA -0.452 4.362 4.527 0.477 0.000 0.299 167 F C 2.101 177.977 175.800 0.126 0.000 1.096 167 F CA 3.716 61.907 58.000 0.317 0.000 1.255 167 F CB -0.781 38.420 39.000 0.334 0.000 0.997 167 F HN -0.352 7.965 8.300 0.029 0.000 0.479 168 N N -1.461 117.350 118.700 0.186 0.000 2.244 168 N HA -0.367 4.439 4.740 0.111 0.000 0.183 168 N C 1.740 177.226 175.510 -0.040 0.000 1.016 168 N CA 3.500 56.583 53.050 0.054 0.000 0.866 168 N CB 0.055 38.517 38.487 -0.042 0.000 0.980 168 N HN -0.578 7.892 8.380 0.150 0.000 0.430 169 A N 0.990 123.681 122.820 -0.216 0.000 1.897 169 A HA -0.140 3.812 4.320 -0.614 0.000 0.215 169 A C 1.889 179.305 177.584 -0.280 0.000 1.181 169 A CA 2.813 54.537 52.037 -0.523 0.000 0.620 169 A CB -0.298 18.168 19.000 -0.891 0.000 0.821 169 A HN -0.419 7.513 8.150 -0.218 0.087 0.443 170 I N -1.670 118.853 120.570 -0.079 0.000 2.361 170 I HA -0.508 3.668 4.170 0.009 0.000 0.251 170 I C 1.616 177.847 176.117 0.191 0.000 1.133 170 I CA 4.382 65.724 61.300 0.069 0.000 1.413 170 I CB 0.064 38.183 38.000 0.198 0.000 1.073 170 I HN -0.459 7.721 8.210 -0.050 0.000 0.424 171 I N -1.342 119.346 120.570 0.197 0.000 2.333 171 I HA -0.578 3.723 4.170 0.219 0.000 0.246 171 I C 1.399 177.650 176.117 0.224 0.000 1.106 171 I CA 3.643 65.070 61.300 0.213 0.000 1.411 171 I CB 0.191 38.309 38.000 0.196 0.000 1.082 171 I HN -0.775 7.533 8.210 0.180 0.011 0.420 172 H N 1.555 120.682 119.070 0.096 0.000 2.387 172 H HA -0.312 4.316 4.556 0.120 0.000 0.299 172 H C 2.204 177.639 175.328 0.180 0.000 1.099 172 H CA 3.699 59.822 56.048 0.124 0.000 1.315 172 H CB 0.258 30.088 29.762 0.113 0.000 1.380 172 H HN -0.456 7.971 8.280 0.246 0.000 0.513 173 R N -2.014 118.712 120.500 0.377 0.000 2.193 173 R HA -0.187 4.378 4.340 0.376 0.000 0.229 173 R C 1.155 177.512 176.300 0.094 0.000 1.110 173 R CA 1.427 57.708 56.100 0.301 0.000 0.988 173 R CB -0.707 29.756 30.300 0.271 0.000 0.871 173 R HN -0.401 8.047 8.270 0.326 0.018 0.458 174 H N -4.529 114.598 119.070 0.095 0.000 2.788 174 H HA 0.019 4.617 4.556 0.070 0.000 0.262 174 H C -0.435 174.914 175.328 0.035 0.000 0.968 174 H CA 1.516 57.608 56.048 0.073 0.000 1.218 174 H CB 2.613 32.437 29.762 0.104 0.000 1.443 174 H HN -0.406 7.896 8.280 0.296 0.156 0.478 175 K N -1.323 119.147 120.400 0.118 0.000 2.992 175 K HA 0.631 4.969 4.320 0.029 0.000 0.178 175 K C -1.900 174.665 176.600 -0.057 0.000 1.122 175 K CA -3.236 53.077 56.287 0.044 0.000 0.926 175 K CB -0.360 32.187 32.500 0.079 0.000 1.121 175 K HN -0.472 7.851 8.250 0.122 0.000 0.610 176 P HA -0.069 3.940 4.420 -0.870 -0.111 0.221 176 P C 0.391 177.556 177.300 -0.224 0.000 1.145 176 P CA 1.725 64.546 63.100 -0.464 0.000 0.795 176 P CB 0.207 31.658 31.700 -0.415 0.000 0.775 177 M N -6.498 113.050 119.600 -0.087 0.000 2.374 177 M HA -0.055 4.416 4.480 -0.016 0.000 0.264 177 M C 0.806 177.114 176.300 0.013 0.000 1.067 177 M CA 1.118 56.405 55.300 -0.021 0.000 1.103 177 M CB -1.734 30.863 32.600 -0.006 0.000 1.402 177 M HN -0.316 7.903 8.290 -0.074 0.026 0.444 178 L N -1.940 119.295 121.223 0.020 0.000 2.179 178 L HA -0.114 4.253 4.340 0.044 0.000 0.208 178 L C 0.253 177.165 176.870 0.070 0.000 1.096 178 L CA 0.567 55.435 54.840 0.048 0.000 0.779 178 L CB 0.081 42.175 42.059 0.059 0.000 0.922 178 L HN -0.462 7.733 8.230 0.005 0.038 0.443 179 I N -8.714 111.916 120.570 0.100 0.000 2.647 179 I HA 0.092 4.319 4.170 0.095 0.000 0.295 179 I C -1.690 174.542 176.117 0.192 0.000 1.078 179 I CA -1.330 60.049 61.300 0.131 0.000 1.048 179 I CB 3.480 41.558 38.000 0.131 0.000 1.239 179 I HN -1.038 7.229 8.210 0.095 0.000 0.421 180 D N 6.133 126.609 120.400 0.127 0.000 2.428 180 D HA 0.183 4.922 4.640 0.165 0.000 0.221 180 D C -0.049 176.300 176.300 0.083 0.000 1.123 180 D CA -0.954 53.121 54.000 0.124 0.000 0.869 180 D CB 0.576 41.425 40.800 0.082 0.000 1.032 180 D HN 0.256 8.680 8.370 0.091 0.000 0.506 181 M N 3.836 123.488 119.600 0.087 0.000 2.358 181 M HA -0.353 4.044 4.480 -0.138 0.000 0.264 181 M C 1.272 177.594 176.300 0.037 0.000 1.064 181 M CA 1.478 56.752 55.300 -0.043 0.000 1.093 181 M CB -0.540 32.003 32.600 -0.096 0.000 1.401 181 M HN 0.354 8.737 8.290 0.156 0.000 0.440 182 N N -0.744 118.036 118.700 0.134 0.000 2.216 182 N HA -0.206 4.740 4.740 0.344 0.000 0.183 182 N C 1.806 177.398 175.510 0.137 0.000 1.017 182 N CA 2.915 56.084 53.050 0.198 0.000 0.861 182 N CB -0.156 38.410 38.487 0.132 0.000 0.986 182 N HN -0.351 8.273 8.380 0.120 -0.172 0.428 183 K N 0.460 120.901 120.400 0.069 0.000 2.097 183 K HA -0.239 4.110 4.320 0.050 0.000 0.205 183 K C 1.972 178.573 176.600 0.001 0.000 1.050 183 K CA 2.684 58.995 56.287 0.039 0.000 0.938 183 K CB 0.108 32.626 32.500 0.029 0.000 0.718 183 K HN -0.879 7.586 8.250 0.064 -0.177 0.442 184 V N -1.344 118.528 119.914 -0.070 0.000 2.282 184 V HA -0.392 3.847 4.120 -0.121 -0.191 0.249 184 V C 3.035 179.020 176.094 -0.181 0.000 1.057 184 V CA 4.564 66.756 62.300 -0.180 0.000 1.032 184 V CB -0.260 31.370 31.823 -0.321 0.000 0.645 184 V HN -0.646 7.418 8.190 -0.071 0.084 0.447 185 Y N -3.817 116.478 120.300 -0.008 0.000 2.509 185 Y HA -0.274 4.266 4.550 -0.017 0.000 0.293 185 Y C 0.894 176.790 175.900 -0.008 0.000 1.133 185 Y CA 2.138 60.231 58.100 -0.012 0.000 1.283 185 Y CB -0.447 38.006 38.460 -0.011 0.000 1.001 185 Y HN -0.833 7.414 8.280 -0.055 0.000 0.555 186 R N -2.370 118.205 120.500 0.125 0.000 2.223 186 R HA -0.037 4.352 4.340 0.081 0.000 0.198 186 R C 0.465 176.790 176.300 0.041 0.000 0.984 186 R CA 0.240 56.387 56.100 0.078 0.000 1.018 186 R CB 0.820 31.160 30.300 0.067 0.000 0.945 186 R HN -0.713 7.453 8.270 0.102 0.165 0.479 187 Q N -1.966 117.847 119.800 0.021 0.000 2.249 187 Q HA 0.126 4.473 4.340 0.011 0.000 0.226 187 Q C -0.085 175.917 176.000 0.004 0.000 0.983 187 Q CA -0.263 55.544 55.803 0.006 0.000 0.930 187 Q CB 1.924 30.657 28.738 -0.010 0.000 1.193 187 Q HN -0.686 7.592 8.270 0.012 0.000 0.508 188 T N -0.648 113.907 114.554 0.003 0.000 2.813 188 T HA -0.083 4.271 4.350 0.007 0.000 0.297 188 T C 0.957 175.654 174.700 -0.005 0.000 1.036 188 T CA -0.705 61.397 62.100 0.003 0.000 1.044 188 T CB 1.546 70.417 68.868 0.005 0.000 0.993 188 T HN -0.141 8.317 8.240 0.003 -0.217 0.535 189 N N 1.673 120.374 118.700 0.002 0.000 2.069 189 N HA -0.275 4.642 4.740 -0.002 -0.178 0.191 189 N C 2.436 177.940 175.510 -0.010 0.000 1.031 189 N CA 3.491 56.543 53.050 0.003 0.000 0.852 189 N CB -0.649 37.850 38.487 0.021 0.000 1.018 189 N HN 0.500 8.884 8.380 0.007 0.000 0.423 190 L N 0.319 121.539 121.223 -0.004 0.000 2.012 190 L HA -0.472 3.862 4.340 -0.010 0.000 0.210 190 L C 1.985 178.833 176.870 -0.037 0.000 1.073 190 L CA 3.488 58.321 54.840 -0.011 0.000 0.748 190 L CB -0.428 41.633 42.059 0.005 0.000 0.891 190 L HN -0.065 8.167 8.230 0.003 0.000 0.431 191 E N -1.096 119.087 120.200 -0.029 0.000 2.051 191 E HA -0.454 3.877 4.350 -0.031 0.000 0.192 191 E C 2.670 179.232 176.600 -0.062 0.000 0.991 191 E CA 3.381 59.760 56.400 -0.035 0.000 0.799 191 E CB -0.403 29.286 29.700 -0.018 0.000 0.748 191 E HN -0.610 7.739 8.360 -0.018 0.000 0.449 192 N N -0.405 118.255 118.700 -0.065 0.000 2.120 192 N HA -0.231 4.464 4.740 -0.074 0.000 0.188 192 N C 2.347 177.762 175.510 -0.159 0.000 1.024 192 N CA 2.935 55.936 53.050 -0.082 0.000 0.852 192 N CB -0.091 38.359 38.487 -0.061 0.000 1.003 192 N HN -0.565 7.785 8.380 -0.051 0.000 0.424 193 L N -0.098 120.993 121.223 -0.221 0.000 2.044 193 L HA -0.327 3.609 4.340 -0.674 0.000 0.205 193 L C 1.576 178.026 176.870 -0.700 0.000 1.075 193 L CA 3.645 58.150 54.840 -0.559 0.000 0.747 193 L CB -0.219 41.613 42.059 -0.378 0.000 0.903 193 L HN -0.150 7.988 8.230 -0.152 0.000 0.435 194 D N -1.237 118.986 120.400 -0.296 0.000 2.116 194 D HA -0.434 4.167 4.640 -0.066 0.000 0.193 194 D C 1.828 178.065 176.300 -0.105 0.000 0.998 194 D CA 3.774 57.695 54.000 -0.131 0.000 0.836 194 D CB 0.079 40.855 40.800 -0.040 0.000 0.951 194 D HN -0.248 8.003 8.370 -0.198 0.000 0.449 195 Q N -0.830 118.908 119.800 -0.103 0.000 2.050 195 Q HA -0.330 4.004 4.340 -0.011 0.000 0.202 195 Q C 2.055 178.036 176.000 -0.032 0.000 0.980 195 Q CA 3.216 58.993 55.803 -0.043 0.000 0.840 195 Q CB 0.075 28.797 28.738 -0.027 0.000 0.898 195 Q HN -0.180 8.021 8.270 -0.115 0.000 0.424 196 A N 0.160 122.919 122.820 -0.100 0.000 1.902 196 A HA -0.267 4.090 4.320 0.062 0.000 0.217 196 A C 2.201 179.847 177.584 0.103 0.000 1.181 196 A CA 2.958 54.985 52.037 -0.017 0.000 0.623 196 A CB -0.640 18.345 19.000 -0.025 0.000 0.818 196 A HN -0.318 7.732 8.150 -0.166 0.000 0.443 197 F N -2.489 117.450 119.950 -0.019 0.000 2.186 197 F HA 0.022 4.575 4.527 0.042 0.000 0.299 197 F C 2.772 178.589 175.800 0.027 0.000 1.090 197 F CA 0.484 58.470 58.000 -0.024 0.000 1.307 197 F CB -1.202 37.711 39.000 -0.145 0.000 1.019 197 F HN -0.219 7.846 8.300 -0.391 0.000 0.489 198 S N 0.936 116.747 115.700 0.185 0.000 2.356 198 S HA -0.374 4.167 4.470 0.119 0.000 0.223 198 S C 1.914 176.578 174.600 0.108 0.000 1.032 198 S CA 3.637 61.909 58.200 0.119 0.000 1.005 198 S CB 0.155 63.401 63.200 0.076 0.000 0.867 198 S HN -0.031 8.361 8.310 0.136 0.000 0.449 199 V N 2.181 122.157 119.914 0.103 0.000 2.295 199 V HA -0.397 3.771 4.120 0.080 0.000 0.246 199 V C 1.995 178.157 176.094 0.113 0.000 1.049 199 V CA 4.053 66.411 62.300 0.096 0.000 1.024 199 V CB -0.685 31.193 31.823 0.090 0.000 0.648 199 V HN -0.306 7.942 8.190 0.097 0.000 0.447 200 A N -0.954 121.960 122.820 0.156 0.000 1.948 200 A HA -0.464 3.937 4.320 0.134 0.000 0.220 200 A C 1.608 179.265 177.584 0.122 0.000 1.177 200 A CA 3.403 55.536 52.037 0.160 0.000 0.636 200 A CB -0.868 18.281 19.000 0.247 0.000 0.815 200 A HN -0.206 8.053 8.150 0.182 0.000 0.449 201 E N -1.122 119.154 120.200 0.126 0.000 2.033 201 E HA -0.214 4.422 4.350 0.084 -0.235 0.189 201 E C 2.915 179.552 176.600 0.062 0.000 0.979 201 E CA 2.212 58.666 56.400 0.091 0.000 0.802 201 E CB 0.136 29.889 29.700 0.089 0.000 0.763 201 E HN -0.577 7.850 8.360 0.143 0.018 0.449 202 R N -1.141 119.397 120.500 0.063 0.000 2.073 202 R HA -0.264 4.099 4.340 0.039 0.000 0.234 202 R C 2.225 178.551 176.300 0.042 0.000 1.134 202 R CA 3.013 59.141 56.100 0.047 0.000 0.952 202 R CB 0.183 30.511 30.300 0.046 0.000 0.850 202 R HN -0.312 8.002 8.270 0.072 0.000 0.433 203 D N -4.664 115.766 120.400 0.050 0.000 2.392 203 D HA 0.131 4.794 4.640 0.037 0.000 0.206 203 D C 0.308 176.634 176.300 0.043 0.000 1.046 203 D CA 1.604 55.631 54.000 0.045 0.000 0.865 203 D CB 1.269 42.099 40.800 0.051 0.000 0.969 203 D HN -0.276 8.130 8.370 0.060 0.000 0.509 204 L N -3.305 117.947 121.223 0.048 0.000 2.858 204 L HA 0.188 4.547 4.340 0.030 0.000 0.251 204 L C -0.188 176.696 176.870 0.023 0.000 1.149 204 L CA -1.075 53.787 54.840 0.036 0.000 0.955 204 L CB 1.411 43.496 42.059 0.043 0.000 1.289 204 L HN -0.743 7.521 8.230 0.056 0.000 0.542 205 G N -1.940 106.876 108.800 0.026 0.000 2.160 205 G HA2 -0.331 3.704 3.960 0.014 0.000 0.251 205 G HA3 -0.331 3.631 3.960 0.003 0.000 0.251 205 G C -0.265 174.643 174.900 0.014 0.000 1.008 205 G CA 0.270 45.378 45.100 0.013 0.000 0.724 205 G HN -0.611 7.700 8.290 0.034 0.000 0.514 206 V N 2.026 121.961 119.914 0.036 0.000 2.348 206 V HA 0.126 4.257 4.120 0.019 0.000 0.270 206 V C -0.018 176.130 176.094 0.090 0.000 1.037 206 V CA -0.921 61.404 62.300 0.042 0.000 0.872 206 V CB -0.406 31.427 31.823 0.018 0.000 1.002 206 V HN -0.325 7.895 8.190 0.050 0.000 0.464 207 T N 9.416 124.016 114.554 0.078 0.000 2.928 207 T HA -0.182 4.203 4.350 0.058 0.000 0.305 207 T C -0.273 174.506 174.700 0.130 0.000 1.035 207 T CA 1.623 63.772 62.100 0.082 0.000 1.145 207 T CB 0.425 69.329 68.868 0.061 0.000 0.963 207 T HN 0.327 8.601 8.240 0.056 0.000 0.545 208 R N 6.858 127.388 120.500 0.050 0.000 2.387 208 R HA -0.094 4.163 4.340 -0.137 0.000 0.321 208 R C -0.057 176.159 176.300 -0.140 0.000 1.174 208 R CA 0.275 56.324 56.100 -0.084 0.000 1.002 208 R CB -1.066 29.178 30.300 -0.093 0.000 1.028 208 R HN 0.613 8.905 8.270 0.036 0.000 0.482 209 L N 1.914 123.035 121.223 -0.169 0.000 2.270 209 L HA -0.123 4.204 4.340 -0.022 0.000 0.210 209 L C -0.531 176.178 176.870 -0.268 0.000 1.104 209 L CA 0.772 55.547 54.840 -0.108 0.000 0.804 209 L CB 0.497 42.611 42.059 0.093 0.000 0.937 209 L HN -0.272 7.868 8.230 -0.149 0.000 0.450 210 L N -5.014 115.840 121.223 -0.615 0.000 2.346 210 L HA 0.124 4.270 4.340 -0.323 0.000 0.274 210 L C -1.425 175.160 176.870 -0.476 0.000 1.007 210 L CA -1.557 52.947 54.840 -0.561 0.000 0.818 210 L CB 2.521 44.116 42.059 -0.774 0.000 1.284 210 L HN -0.820 6.847 8.230 -0.939 0.000 0.424 211 D N 1.518 121.815 120.400 -0.171 0.000 2.175 211 D HA 0.402 5.044 4.640 0.004 0.000 0.248 211 D C -0.304 176.074 176.300 0.130 0.000 1.047 211 D CA -2.143 51.850 54.000 -0.011 0.000 0.883 211 D CB 1.281 42.082 40.800 0.001 0.000 1.180 211 D HN 0.097 8.388 8.370 -0.131 0.000 0.438 212 P HA -0.311 4.281 4.420 0.286 0.000 0.216 212 P C 0.389 177.760 177.300 0.118 0.000 1.157 212 P CA 2.552 65.772 63.100 0.200 0.000 0.880 212 P CB 0.139 31.895 31.700 0.092 0.000 0.791 213 E N -7.058 113.190 120.200 0.079 0.000 2.338 213 E HA -0.252 4.131 4.350 0.055 0.000 0.197 213 E C 0.183 176.815 176.600 0.054 0.000 1.007 213 E CA 1.972 58.406 56.400 0.057 0.000 0.849 213 E CB -1.490 28.235 29.700 0.041 0.000 0.774 213 E HN 0.373 8.777 8.360 0.073 0.000 0.506 214 D N -1.426 119.007 120.400 0.054 0.000 2.348 214 D HA 0.106 4.762 4.640 0.027 0.000 0.211 214 D C 0.331 176.667 176.300 0.060 0.000 0.998 214 D CA 1.500 55.522 54.000 0.036 0.000 0.873 214 D CB 0.868 41.670 40.800 0.004 0.000 0.925 214 D HN -0.464 7.808 8.370 0.059 0.133 0.524 215 V N -1.977 118.004 119.914 0.112 0.000 3.085 215 V HA -0.021 4.193 4.120 0.156 0.000 0.245 215 V C 0.352 176.535 176.094 0.148 0.000 1.114 215 V CA 1.988 64.389 62.300 0.169 0.000 1.108 215 V CB 0.770 32.767 31.823 0.289 0.000 0.798 215 V HN -0.656 7.459 8.190 0.124 0.150 0.471 216 D N 1.393 121.860 120.400 0.111 0.000 2.713 216 D HA 0.059 4.755 4.640 0.095 0.000 0.229 216 D C -0.697 175.640 176.300 0.061 0.000 1.136 216 D CA -0.711 53.340 54.000 0.085 0.000 1.010 216 D CB -1.483 39.355 40.800 0.064 0.000 1.084 216 D HN -0.514 7.918 8.370 0.103 0.000 0.495 217 V N -2.461 117.491 119.914 0.062 0.000 3.147 217 V HA 0.390 4.530 4.120 0.034 0.000 0.306 217 V C -2.470 173.647 176.094 0.039 0.000 1.209 217 V CA -3.768 58.557 62.300 0.041 0.000 1.023 217 V CB 1.221 33.061 31.823 0.028 0.000 1.059 217 V HN -0.586 7.614 8.190 0.076 0.036 0.435 218 P HA -0.100 4.334 4.420 0.024 0.000 0.217 218 P C -0.711 176.603 177.300 0.023 0.000 1.150 218 P CA 1.602 64.714 63.100 0.021 0.000 0.832 218 P CB 0.577 32.283 31.700 0.010 0.000 0.787 219 Q N -2.899 116.910 119.800 0.015 0.000 2.771 219 Q HA 0.304 4.659 4.340 0.025 0.000 0.247 219 Q C -2.429 173.578 176.000 0.011 0.000 0.986 219 Q CA -2.932 52.878 55.803 0.012 0.000 0.713 219 Q CB 0.094 28.825 28.738 -0.012 0.000 1.241 219 Q HN -0.372 7.888 8.270 0.008 0.014 0.488 220 P HA 0.010 4.447 4.420 0.029 0.000 0.271 220 P C -1.357 175.949 177.300 0.010 0.000 1.218 220 P CA -0.521 62.606 63.100 0.045 0.000 0.780 220 P CB 0.792 32.558 31.700 0.110 0.000 0.901 221 D N 1.104 121.486 120.400 -0.029 0.000 2.382 221 D HA -0.156 4.430 4.640 -0.090 0.000 0.259 221 D C 0.868 177.127 176.300 -0.069 0.000 1.224 221 D CA 0.379 54.331 54.000 -0.080 0.000 0.894 221 D CB 1.040 41.759 40.800 -0.135 0.000 1.127 221 D HN 0.223 8.574 8.370 -0.031 0.000 0.487 222 E N 8.214 128.370 120.200 -0.073 0.000 2.038 222 E HA -0.453 4.107 4.350 0.022 -0.197 0.195 222 E C 1.628 178.134 176.600 -0.157 0.000 1.000 222 E CA 3.557 59.923 56.400 -0.057 0.000 0.803 222 E CB 0.316 29.987 29.700 -0.048 0.000 0.750 222 E HN 0.465 8.777 8.360 -0.079 0.000 0.448 223 K N -1.969 118.253 120.400 -0.296 0.000 2.147 223 K HA -0.267 3.762 4.320 -0.485 0.000 0.205 223 K C 2.627 179.149 176.600 -0.130 0.000 1.049 223 K CA 2.776 58.811 56.287 -0.420 0.000 0.936 223 K CB -0.231 31.812 32.500 -0.761 0.000 0.722 223 K HN 0.161 8.219 8.250 -0.319 0.000 0.446 224 S N 0.565 116.189 115.700 -0.125 0.000 2.356 224 S HA -0.339 4.145 4.470 0.022 0.000 0.223 224 S C 1.719 176.317 174.600 -0.003 0.000 1.032 224 S CA 3.662 61.835 58.200 -0.046 0.000 1.005 224 S CB -0.160 62.980 63.200 -0.101 0.000 0.867 224 S HN -0.604 7.815 8.310 -0.179 -0.217 0.449 225 I N 2.016 122.568 120.570 -0.029 0.000 2.179 225 I HA -0.503 3.711 4.170 0.072 0.000 0.242 225 I C 1.544 177.568 176.117 -0.155 0.000 1.088 225 I CA 4.263 65.545 61.300 -0.029 0.000 1.357 225 I CB -0.077 37.894 38.000 -0.049 0.000 1.051 225 I HN -0.694 7.490 8.210 -0.043 0.000 0.409 226 I N -0.370 120.027 120.570 -0.288 0.000 2.264 226 I HA -0.654 3.025 4.170 -0.818 0.000 0.248 226 I C 1.954 177.961 176.117 -0.184 0.000 1.111 226 I CA 4.659 65.672 61.300 -0.479 0.000 1.382 226 I CB -0.534 37.206 38.000 -0.433 0.000 1.060 226 I HN -0.082 7.982 8.210 -0.245 0.000 0.418 227 T N 2.336 116.885 114.554 -0.010 0.000 2.684 227 T HA -0.403 3.928 4.350 -0.032 0.000 0.267 227 T C 1.721 176.464 174.700 0.070 0.000 1.036 227 T CA 5.440 67.555 62.100 0.027 0.000 1.148 227 T CB -0.096 68.820 68.868 0.080 0.000 0.863 227 T HN -0.212 8.043 8.240 0.026 0.000 0.436 228 Y N 2.393 122.681 120.300 -0.020 0.000 2.242 228 Y HA -0.323 4.243 4.550 0.026 0.000 0.291 228 Y C 1.513 177.442 175.900 0.049 0.000 1.137 228 Y CA 3.302 61.403 58.100 0.003 0.000 1.181 228 Y CB -0.057 38.370 38.460 -0.055 0.000 0.989 228 Y HN -0.591 7.808 8.280 0.198 0.000 0.527 229 V N -1.261 118.649 119.914 -0.007 0.000 2.358 229 V HA -0.570 3.596 4.120 0.077 0.000 0.246 229 V C 1.844 177.916 176.094 -0.037 0.000 1.047 229 V CA 4.601 66.900 62.300 -0.003 0.000 1.035 229 V CB -0.817 30.963 31.823 -0.071 0.000 0.658 229 V HN 0.075 8.263 8.190 -0.003 0.000 0.452 230 S N -0.102 115.535 115.700 -0.105 0.000 2.370 230 S HA -0.455 3.912 4.470 -0.172 0.000 0.226 230 S C 2.073 176.646 174.600 -0.045 0.000 1.033 230 S CA 3.492 61.622 58.200 -0.117 0.000 1.011 230 S CB -0.521 62.600 63.200 -0.131 0.000 0.852 230 S HN -0.126 8.106 8.310 -0.128 0.000 0.457 231 S N 2.495 118.161 115.700 -0.057 0.000 2.368 231 S HA -0.324 4.159 4.470 0.020 0.000 0.225 231 S C 2.119 176.647 174.600 -0.121 0.000 1.030 231 S CA 3.369 61.532 58.200 -0.061 0.000 0.999 231 S CB -0.042 63.101 63.200 -0.096 0.000 0.844 231 S HN -0.711 7.477 8.310 -0.069 0.080 0.459 232 L N 0.774 121.890 121.223 -0.178 0.000 2.017 232 L HA -0.392 3.903 4.340 -0.076 0.000 0.208 232 L C 1.641 178.502 176.870 -0.015 0.000 1.073 232 L CA 2.859 57.667 54.840 -0.052 0.000 0.745 232 L CB -0.281 41.844 42.059 0.111 0.000 0.894 232 L HN -0.683 7.397 8.230 -0.249 0.000 0.432 233 Y N -1.050 119.080 120.300 -0.283 0.000 2.151 233 Y HA -0.574 3.542 4.550 -0.724 0.000 0.284 233 Y C 2.372 178.081 175.900 -0.320 0.000 1.166 233 Y CA 3.420 61.156 58.100 -0.607 0.000 1.163 233 Y CB -0.103 37.765 38.460 -0.987 0.000 0.974 233 Y HN -0.383 7.867 8.280 -0.050 0.000 0.511 234 D N -0.347 120.002 120.400 -0.085 0.000 2.178 234 D HA -0.222 4.340 4.640 -0.129 0.000 0.201 234 D C 0.953 177.171 176.300 -0.137 0.000 0.980 234 D CA 2.691 56.636 54.000 -0.091 0.000 0.842 234 D CB -0.498 40.315 40.800 0.022 0.000 0.948 234 D HN -0.470 7.913 8.370 0.021 0.000 0.472 235 A N -3.814 118.936 122.820 -0.117 0.000 2.208 235 A HA -0.044 4.232 4.320 -0.073 0.000 0.209 235 A C -0.310 177.202 177.584 -0.120 0.000 1.161 235 A CA 0.285 52.268 52.037 -0.091 0.000 0.782 235 A CB 0.234 19.201 19.000 -0.055 0.000 0.816 235 A HN -0.676 7.410 8.150 -0.106 0.000 0.477 236 M N -0.383 119.092 119.600 -0.207 0.000 2.274 236 M HA 0.304 4.672 4.480 -0.187 0.000 0.344 236 M C -2.188 174.038 176.300 -0.124 0.000 1.161 236 M CA -3.793 51.372 55.300 -0.225 0.000 1.126 236 M CB -1.840 30.521 32.600 -0.397 0.000 1.522 236 M HN -0.901 7.199 8.290 -0.257 0.036 0.461 237 P HA 0.000 4.429 4.420 0.016 0.000 0.216 237 P CA 0.000 63.112 63.100 0.020 0.000 0.800 237 P CB 0.000 31.762 31.700 0.103 0.000 0.726