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 3p9y_1_C DATA FIRST_RESID 3 DATA SEQUENCE DPSKLAVAVV DSSNMNRSME AHNFLAKKGF NVRSYGTGER VKLPGMAFDK DATA SEQUENCE PNVYEFGTKY EDIYRDLESK DKEFYTQNGL LHMLDRNRRI KKCPERFQDT DATA SEQUENCE KEQFDIIVTV EERVYDLVVM HMESMESVDN RPVHVLNVDV VNNAEDALMG DATA SEQUENCE AFVITDMINM MAKSTDLDND IDELIQEFEE RRKRVILHSV LFY 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 3 D HA 0.000 4.603 4.640 -0.062 0.000 0.175 3 D C 0.000 176.146 176.300 -0.257 0.000 2.045 3 D CA 0.000 53.900 54.000 -0.166 0.000 0.868 3 D CB 0.000 40.840 40.800 0.067 0.000 0.688 4 P HA 0.131 4.472 4.420 -0.131 0.000 0.237 4 P C -1.266 175.991 177.300 -0.072 0.000 1.723 4 P CA -0.338 62.701 63.100 -0.102 0.000 0.882 4 P CB -1.264 30.403 31.700 -0.054 0.000 1.810 5 S N -3.738 111.908 115.700 -0.091 0.000 3.561 5 S HA -0.401 4.069 4.470 -0.000 0.000 0.318 5 S C 0.089 174.705 174.600 0.028 0.000 1.181 5 S CA 1.073 59.261 58.200 -0.019 0.000 0.916 5 S CB -0.378 62.810 63.200 -0.019 0.000 0.966 5 S HN -0.192 7.934 8.310 -0.162 0.087 0.550 6 K N -0.519 119.903 120.400 0.036 0.000 1.991 6 K HA -0.193 4.153 4.320 0.043 0.000 0.207 6 K C 0.001 176.657 176.600 0.092 0.000 1.045 6 K CA 2.157 58.478 56.287 0.056 0.000 0.937 6 K CB 0.268 32.799 32.500 0.053 0.000 0.720 6 K HN -0.341 7.887 8.250 0.022 0.035 0.438 7 L N -0.827 120.478 121.223 0.136 0.000 2.360 7 L HA -0.153 4.434 4.340 0.145 -0.160 0.276 7 L C -1.138 175.844 176.870 0.187 0.000 1.121 7 L CA -0.607 54.332 54.840 0.164 0.000 0.845 7 L CB 0.292 42.461 42.059 0.183 0.000 1.143 7 L HN -0.490 7.830 8.230 0.150 0.000 0.452 8 A N 4.816 127.749 122.820 0.188 0.000 2.320 8 A HA 0.355 4.945 4.320 0.234 -0.129 0.287 8 A C -1.515 176.272 177.584 0.337 0.000 1.181 8 A CA -1.098 51.090 52.037 0.252 0.000 0.831 8 A CB 1.092 20.214 19.000 0.204 0.000 1.102 8 A HN 0.099 8.648 8.150 0.172 -0.295 0.513 9 V N 3.184 123.271 119.914 0.289 0.000 2.823 9 V HA 0.875 5.270 4.120 0.118 -0.204 0.312 9 V C -1.696 174.335 176.094 -0.105 0.000 1.072 9 V CA -2.293 60.071 62.300 0.107 0.000 0.937 9 V CB 4.284 36.108 31.823 0.001 0.000 1.013 9 V HN 0.187 8.539 8.190 0.270 0.000 0.430 10 A N 4.413 126.988 122.820 -0.408 0.000 2.386 10 A HA 1.056 5.335 4.320 -0.447 -0.228 0.311 10 A C -2.031 175.391 177.584 -0.270 0.000 1.068 10 A CA -2.432 49.265 52.037 -0.568 0.000 0.743 10 A CB 3.650 21.919 19.000 -1.217 0.000 1.258 10 A HN 0.289 8.248 8.150 -0.319 0.000 0.429 11 V N 2.240 122.052 119.914 -0.170 0.000 2.495 11 V HA 0.847 5.100 4.120 -0.107 -0.197 0.298 11 V C -1.125 174.954 176.094 -0.026 0.000 1.031 11 V CA -1.755 60.488 62.300 -0.094 0.000 0.871 11 V CB 2.644 34.427 31.823 -0.066 0.000 0.988 11 V HN 0.115 8.202 8.190 -0.171 0.000 0.432 12 V N 5.627 125.521 119.914 -0.034 0.000 2.638 12 V HA 0.832 5.224 4.120 0.074 -0.228 0.306 12 V C -1.171 174.933 176.094 0.016 0.000 1.052 12 V CA -1.917 60.382 62.300 -0.003 0.000 0.885 12 V CB 2.606 34.340 31.823 -0.149 0.000 0.999 12 V HN 0.575 8.733 8.190 -0.055 0.000 0.424 13 D N 5.734 126.177 120.400 0.072 0.000 2.855 13 D HA 0.336 5.009 4.640 0.056 0.000 0.231 13 D C -0.311 176.058 176.300 0.114 0.000 1.225 13 D CA -1.519 52.528 54.000 0.080 0.000 1.074 13 D CB 1.488 42.341 40.800 0.088 0.000 1.235 13 D HN 0.169 8.605 8.370 0.110 0.000 0.635 14 S N -1.789 113.989 115.700 0.131 0.000 2.398 14 S HA 0.049 4.613 4.470 0.158 0.000 0.220 14 S C 0.683 175.440 174.600 0.262 0.000 1.046 14 S CA 2.062 60.360 58.200 0.163 0.000 0.953 14 S CB 0.118 63.390 63.200 0.119 0.000 0.856 14 S HN 0.356 8.736 8.310 0.117 0.000 0.506 15 S N -0.842 114.982 115.700 0.206 0.000 2.578 15 S HA 0.137 4.727 4.470 0.200 0.000 0.231 15 S C -0.963 173.753 174.600 0.193 0.000 0.994 15 S CA -0.330 57.966 58.200 0.161 0.000 0.956 15 S CB -0.080 63.143 63.200 0.039 0.000 0.870 15 S HN -0.305 8.101 8.310 0.160 0.000 0.494 16 N N 0.753 119.615 118.700 0.270 0.000 2.705 16 N HA -0.413 4.675 4.740 0.225 -0.212 0.255 16 N C -1.526 174.130 175.510 0.243 0.000 1.008 16 N CA 1.382 54.594 53.050 0.269 0.000 0.742 16 N CB -0.922 37.795 38.487 0.382 0.000 0.906 16 N HN 0.134 8.977 8.380 0.258 -0.308 0.541 17 M N -5.176 114.525 119.600 0.168 0.000 2.583 17 M HA -0.006 4.595 4.480 0.201 0.000 0.217 17 M C -0.530 175.810 176.300 0.066 0.000 1.655 17 M CA 1.590 56.975 55.300 0.141 0.000 1.114 17 M CB 1.448 34.117 32.600 0.115 0.000 1.384 17 M HN -0.768 7.737 8.290 0.143 -0.129 0.562 18 N N -0.901 117.840 118.700 0.068 0.000 2.660 18 N HA -0.098 4.665 4.740 0.037 0.000 0.231 18 N C 1.878 177.417 175.510 0.049 0.000 1.022 18 N CA 2.015 55.096 53.050 0.051 0.000 1.178 18 N CB 0.691 39.212 38.487 0.056 0.000 1.536 18 N HN -0.291 8.138 8.380 0.081 0.000 0.582 19 R N -0.518 120.015 120.500 0.056 0.000 2.066 19 R HA -0.311 4.054 4.340 0.042 0.000 0.232 19 R C 2.174 178.504 176.300 0.050 0.000 1.131 19 R CA 4.108 60.237 56.100 0.048 0.000 0.955 19 R CB -0.053 30.274 30.300 0.045 0.000 0.851 19 R HN 0.328 8.634 8.270 0.061 0.000 0.432 20 S N -0.665 115.075 115.700 0.066 0.000 2.399 20 S HA -0.259 4.243 4.470 0.054 0.000 0.231 20 S C 1.517 176.176 174.600 0.097 0.000 1.022 20 S CA 3.373 61.617 58.200 0.073 0.000 0.983 20 S CB -0.668 62.590 63.200 0.096 0.000 0.803 20 S HN -0.032 8.649 8.310 0.075 -0.327 0.480 21 M N 1.731 121.376 119.600 0.076 0.000 2.236 21 M HA -0.035 4.488 4.480 0.072 0.000 0.266 21 M C 2.219 178.539 176.300 0.033 0.000 1.070 21 M CA 1.477 56.800 55.300 0.037 0.000 1.137 21 M CB -1.358 31.211 32.600 -0.052 0.000 1.378 21 M HN -0.766 7.542 8.290 0.064 0.021 0.426 22 E N 0.710 120.934 120.200 0.040 0.000 2.051 22 E HA -0.294 4.084 4.350 0.047 0.000 0.192 22 E C 1.881 178.528 176.600 0.078 0.000 0.991 22 E CA 3.141 59.572 56.400 0.051 0.000 0.799 22 E CB -0.372 29.355 29.700 0.046 0.000 0.748 22 E HN -0.311 8.072 8.360 0.039 0.000 0.449 23 A N -1.325 121.537 122.820 0.070 0.000 1.929 23 A HA -0.297 4.054 4.320 0.053 0.000 0.216 23 A C 1.203 178.869 177.584 0.137 0.000 1.176 23 A CA 3.235 55.313 52.037 0.069 0.000 0.628 23 A CB -0.600 18.411 19.000 0.019 0.000 0.816 23 A HN -0.550 7.636 8.150 0.060 0.000 0.444 24 H N -0.121 118.957 119.070 0.014 0.000 2.290 24 H HA -0.455 4.106 4.556 0.008 0.000 0.298 24 H C 1.877 177.222 175.328 0.029 0.000 1.087 24 H CA 3.633 59.687 56.048 0.010 0.000 1.291 24 H CB 0.294 30.047 29.762 -0.014 0.000 1.369 24 H HN -0.013 8.390 8.280 0.205 0.000 0.492 25 N N -1.375 117.437 118.700 0.186 0.000 2.069 25 N HA -0.385 4.375 4.740 0.034 0.000 0.191 25 N C 1.960 177.541 175.510 0.119 0.000 1.031 25 N CA 3.127 56.227 53.050 0.082 0.000 0.852 25 N CB -0.094 38.404 38.487 0.019 0.000 1.018 25 N HN -0.325 8.138 8.380 0.139 0.000 0.423 26 F N 0.418 120.360 119.950 -0.013 0.000 2.146 26 F HA -0.246 4.232 4.527 -0.081 0.000 0.298 26 F C 1.654 177.449 175.800 -0.008 0.000 1.096 26 F CA 3.552 61.509 58.000 -0.071 0.000 1.275 26 F CB 0.470 39.357 39.000 -0.187 0.000 1.008 26 F HN -0.657 7.807 8.300 0.274 0.000 0.480 27 L N -1.617 119.717 121.223 0.185 0.000 2.046 27 L HA -0.481 3.971 4.340 0.188 0.000 0.208 27 L C 2.059 179.055 176.870 0.211 0.000 1.077 27 L CA 3.131 58.071 54.840 0.165 0.000 0.747 27 L CB -0.307 41.786 42.059 0.058 0.000 0.896 27 L HN -0.134 8.226 8.230 0.217 0.000 0.432 28 A N -1.289 121.628 122.820 0.161 0.000 1.902 28 A HA -0.205 4.361 4.320 0.148 -0.157 0.217 28 A C 2.735 180.343 177.584 0.041 0.000 1.181 28 A CA 2.720 54.837 52.037 0.134 0.000 0.623 28 A CB -0.505 18.603 19.000 0.180 0.000 0.818 28 A HN -0.110 8.151 8.150 0.183 0.000 0.443 29 K N -2.332 118.047 120.400 -0.034 0.000 2.283 29 K HA -0.207 4.065 4.320 -0.080 0.000 0.202 29 K C 1.205 177.716 176.600 -0.148 0.000 1.048 29 K CA 2.243 58.461 56.287 -0.116 0.000 0.948 29 K CB -0.069 32.316 32.500 -0.191 0.000 0.742 29 K HN -0.676 7.549 8.250 -0.041 0.000 0.458 30 K N -3.539 116.792 120.400 -0.114 0.000 2.487 30 K HA -0.026 4.210 4.320 -0.140 0.000 0.192 30 K C 0.190 176.687 176.600 -0.171 0.000 1.027 30 K CA -0.563 55.681 56.287 -0.072 0.000 1.054 30 K CB -0.589 32.015 32.500 0.173 0.000 0.824 30 K HN -0.686 7.393 8.250 -0.068 0.130 0.510 31 G N -1.650 107.077 108.800 -0.121 0.000 2.131 31 G HA2 -0.388 3.503 3.960 -0.115 0.000 0.223 31 G HA3 -0.388 3.414 3.960 -0.264 0.000 0.223 31 G C -1.022 173.717 174.900 -0.268 0.000 0.990 31 G CA 0.005 44.985 45.100 -0.200 0.000 0.671 31 G HN -0.398 7.695 8.290 -0.034 0.177 0.521 32 F N -1.291 118.651 119.950 -0.014 0.000 2.385 32 F HA 0.039 4.571 4.527 0.008 0.000 0.336 32 F C -0.777 175.030 175.800 0.012 0.000 1.100 32 F CA -0.429 57.573 58.000 0.004 0.000 1.116 32 F CB 0.713 39.716 39.000 0.005 0.000 1.166 32 F HN -0.758 7.665 8.300 0.206 0.000 0.511 33 N N 3.007 121.831 118.700 0.206 0.000 2.406 33 N HA -0.040 4.769 4.740 0.116 0.000 0.265 33 N C -1.976 173.626 175.510 0.153 0.000 1.203 33 N CA 0.257 53.396 53.050 0.149 0.000 0.945 33 N CB -0.165 38.400 38.487 0.129 0.000 1.165 33 N HN 0.538 9.044 8.380 0.210 0.000 0.485 34 V N 4.488 124.447 119.914 0.074 0.000 2.789 34 V HA 0.805 5.157 4.120 0.003 -0.230 0.311 34 V C -2.047 173.909 176.094 -0.231 0.000 1.073 34 V CA -2.879 59.385 62.300 -0.059 0.000 0.921 34 V CB 2.924 34.667 31.823 -0.132 0.000 1.009 34 V HN -0.149 8.078 8.190 0.062 0.000 0.426 35 R N 4.698 125.067 120.500 -0.217 0.000 2.912 35 R HA 0.409 4.479 4.340 -0.450 0.000 0.262 35 R C -2.073 173.982 176.300 -0.408 0.000 1.057 35 R CA -1.809 54.112 56.100 -0.300 0.000 0.981 35 R CB 4.644 35.002 30.300 0.097 0.000 1.201 35 R HN 0.273 8.459 8.270 -0.139 0.000 0.484 36 S N -1.419 114.001 115.700 -0.467 0.000 2.546 36 S HA 1.055 5.638 4.470 -0.156 -0.207 0.274 36 S C -1.576 172.723 174.600 -0.502 0.000 1.121 36 S CA -1.486 56.552 58.200 -0.270 0.000 0.887 36 S CB 2.954 66.184 63.200 0.050 0.000 1.094 36 S HN 0.184 8.188 8.310 -0.510 0.000 0.474 37 Y N -2.021 118.346 120.300 0.112 0.000 2.655 37 Y HA 0.505 5.307 4.550 0.187 -0.140 0.336 37 Y C -1.015 174.975 175.900 0.151 0.000 1.154 37 Y CA -1.064 57.126 58.100 0.151 0.000 1.055 37 Y CB 4.620 43.184 38.460 0.174 0.000 1.295 37 Y HN 0.213 8.598 8.280 0.175 0.000 0.465 38 G N -2.275 106.742 108.800 0.362 0.000 2.473 38 G HA2 0.756 5.074 3.960 0.252 0.000 0.321 38 G HA3 0.756 5.118 3.960 0.497 -0.104 0.321 38 G C -1.213 173.762 174.900 0.126 0.000 1.200 38 G CA -1.716 43.575 45.100 0.318 0.000 0.963 38 G HN 0.286 8.791 8.290 0.359 0.000 0.483 39 T N -1.988 112.642 114.554 0.126 0.000 3.044 39 T HA 0.521 5.051 4.350 -0.015 -0.189 0.260 39 T C 0.958 175.707 174.700 0.082 0.000 1.019 39 T CA -1.640 60.485 62.100 0.043 0.000 0.921 39 T CB 1.127 70.010 68.868 0.024 0.000 1.053 39 T HN -0.136 8.201 8.240 0.161 0.000 0.533 40 G N 1.602 110.536 108.800 0.223 0.000 2.594 40 G HA2 -0.072 3.991 3.960 0.171 0.000 0.243 40 G HA3 -0.072 4.070 3.960 0.302 0.000 0.243 40 G C -0.007 175.078 174.900 0.309 0.000 1.229 40 G CA -0.902 44.353 45.100 0.258 0.000 0.843 40 G HN -0.353 8.126 8.290 0.315 0.000 0.578 41 E N -0.466 119.865 120.200 0.218 0.000 2.150 41 E HA -0.231 4.217 4.350 0.164 0.000 0.193 41 E C 0.194 176.985 176.600 0.319 0.000 0.985 41 E CA 2.632 59.152 56.400 0.201 0.000 0.814 41 E CB 0.200 29.970 29.700 0.116 0.000 0.752 41 E HN 0.458 8.918 8.360 0.166 0.000 0.466 42 R N -5.927 114.743 120.500 0.284 0.000 2.817 42 R HA 0.203 4.647 4.340 0.174 0.000 0.268 42 R C -1.873 174.364 176.300 -0.104 0.000 1.027 42 R CA -1.360 54.813 56.100 0.122 0.000 0.928 42 R CB 3.687 34.008 30.300 0.034 0.000 1.228 42 R HN -0.668 7.729 8.270 0.233 0.013 0.469 43 V N 1.785 121.474 119.914 -0.376 0.000 2.461 43 V HA 0.028 3.932 4.120 -0.361 0.000 0.275 43 V C -1.366 174.684 176.094 -0.075 0.000 1.047 43 V CA 0.009 62.101 62.300 -0.346 0.000 0.955 43 V CB 0.322 31.884 31.823 -0.435 0.000 0.988 43 V HN 0.225 8.198 8.190 -0.361 0.000 0.471 44 K N 7.681 128.064 120.400 -0.029 0.000 2.545 44 K HA 0.555 5.051 4.320 -0.015 -0.185 0.252 44 K C -1.275 175.341 176.600 0.027 0.000 0.948 44 K CA -1.413 54.870 56.287 -0.007 0.000 0.827 44 K CB 2.224 34.707 32.500 -0.029 0.000 1.128 44 K HN -0.053 8.179 8.250 -0.029 0.000 0.429 45 L N 4.000 125.258 121.223 0.058 0.000 2.330 45 L HA 0.554 4.936 4.340 0.071 0.000 0.271 45 L C -2.489 174.424 176.870 0.072 0.000 1.013 45 L CA -3.132 51.756 54.840 0.081 0.000 0.816 45 L CB 1.631 43.763 42.059 0.122 0.000 1.287 45 L HN 0.254 8.524 8.230 0.066 0.000 0.435 46 P HA 0.049 4.486 4.420 0.029 0.000 0.271 46 P C -1.078 176.357 177.300 0.225 0.000 1.218 46 P CA -0.228 62.934 63.100 0.104 0.000 0.780 46 P CB 0.435 32.206 31.700 0.118 0.000 0.901 47 G N -0.429 108.484 108.800 0.189 0.000 3.122 47 G HA2 0.380 4.616 3.960 0.460 0.000 0.180 47 G HA3 0.380 4.640 3.960 0.168 -0.199 0.180 47 G C -0.821 174.211 174.900 0.220 0.000 1.279 47 G CA -0.764 44.497 45.100 0.267 0.000 0.987 47 G HN -0.058 8.295 8.290 0.105 0.000 0.589 48 M N -0.367 119.237 119.600 0.006 0.000 2.561 48 M HA 0.062 4.453 4.480 -0.149 0.000 0.238 48 M C -0.756 175.525 176.300 -0.032 0.000 1.131 48 M CA 0.787 55.964 55.300 -0.205 0.000 1.046 48 M CB 0.167 32.421 32.600 -0.577 0.000 1.532 48 M HN 0.341 8.624 8.290 -0.012 0.000 0.497 49 A N -2.249 120.595 122.820 0.040 0.000 2.589 49 A HA 0.259 4.643 4.320 0.106 0.000 0.296 49 A C -1.153 176.501 177.584 0.117 0.000 1.062 49 A CA -0.578 51.508 52.037 0.081 0.000 0.686 49 A CB 1.800 20.826 19.000 0.044 0.000 1.282 49 A HN -0.916 7.195 8.150 0.045 0.066 0.404 50 F N 1.150 121.120 119.950 0.034 0.000 2.202 50 F HA -0.326 4.229 4.527 0.047 0.000 0.301 50 F C -0.328 175.489 175.800 0.027 0.000 1.082 50 F CA 2.244 60.266 58.000 0.036 0.000 1.313 50 F CB 0.401 39.419 39.000 0.030 0.000 1.024 50 F HN 0.463 8.950 8.300 0.312 0.000 0.495 51 D N -2.417 118.079 120.400 0.159 0.000 2.319 51 D HA -0.033 4.637 4.640 0.051 0.000 0.230 51 D C -0.523 175.771 176.300 -0.011 0.000 1.094 51 D CA -0.073 53.972 54.000 0.075 0.000 0.856 51 D CB -1.024 39.848 40.800 0.120 0.000 0.915 51 D HN 0.283 8.756 8.370 0.201 0.018 0.517 52 K N -0.051 120.328 120.400 -0.035 0.000 3.146 52 K HA 0.476 4.769 4.320 -0.046 0.000 0.168 52 K C -2.517 174.052 176.600 -0.052 0.000 1.075 52 K CA -2.388 53.876 56.287 -0.039 0.000 0.843 52 K CB 0.880 33.370 32.500 -0.018 0.000 1.002 52 K HN -0.325 7.723 8.250 -0.035 0.181 0.597 53 P HA 0.075 4.464 4.420 -0.052 0.000 0.274 53 P C -1.009 176.237 177.300 -0.089 0.000 1.256 53 P CA -0.817 62.231 63.100 -0.088 0.000 0.795 53 P CB 0.792 32.408 31.700 -0.139 0.000 1.038 54 N N 0.767 119.425 118.700 -0.071 0.000 2.426 54 N HA 0.229 4.818 4.740 -0.251 0.000 0.257 54 N C -1.317 173.992 175.510 -0.335 0.000 1.002 54 N CA -0.146 52.793 53.050 -0.185 0.000 0.942 54 N CB 1.394 39.867 38.487 -0.023 0.000 1.112 54 N HN 0.157 8.527 8.380 -0.016 0.000 0.499 55 V N 3.275 122.831 119.914 -0.598 0.000 2.628 55 V HA 0.714 4.867 4.120 -0.293 -0.208 0.306 55 V C -1.099 174.505 176.094 -0.816 0.000 1.045 55 V CA -1.401 60.606 62.300 -0.489 0.000 0.905 55 V CB 2.826 34.493 31.823 -0.260 0.000 0.997 55 V HN 0.284 8.103 8.190 -0.619 0.000 0.436 56 Y N 3.410 123.643 120.300 -0.113 0.000 2.597 56 Y HA 0.186 4.685 4.550 -0.085 0.000 0.340 56 Y C -1.429 174.388 175.900 -0.139 0.000 1.097 56 Y CA -1.702 56.328 58.100 -0.117 0.000 1.037 56 Y CB 2.999 41.376 38.460 -0.140 0.000 1.305 56 Y HN 0.374 8.617 8.280 -0.063 0.000 0.463 57 E N -0.774 119.469 120.200 0.071 0.000 2.373 57 E HA 0.150 4.539 4.350 0.065 0.000 0.263 57 E C 0.220 176.819 176.600 -0.002 0.000 1.073 57 E CA -1.246 55.186 56.400 0.053 0.000 0.894 57 E CB 1.139 30.886 29.700 0.078 0.000 1.008 57 E HN 0.568 8.987 8.360 0.099 0.000 0.420 58 F N 0.651 120.618 119.950 0.028 0.000 2.563 58 F HA -0.472 4.045 4.527 -0.017 0.000 0.363 58 F C 1.575 177.364 175.800 -0.017 0.000 1.123 58 F CA 2.624 60.626 58.000 0.003 0.000 1.307 58 F CB 0.373 39.390 39.000 0.028 0.000 1.115 58 F HN 0.174 8.682 8.300 0.346 0.000 0.592 59 G N 3.057 111.920 108.800 0.105 0.000 2.213 59 G HA2 -0.418 3.556 3.960 0.023 0.000 0.236 59 G HA3 -0.418 3.577 3.960 0.058 0.000 0.236 59 G C -0.555 174.314 174.900 -0.052 0.000 0.991 59 G CA -0.277 44.841 45.100 0.030 0.000 0.629 59 G HN 0.188 8.522 8.290 0.074 0.000 0.517 60 T N 4.734 119.231 114.554 -0.096 0.000 2.834 60 T HA -0.172 4.123 4.350 -0.091 0.000 0.298 60 T C -0.378 174.171 174.700 -0.252 0.000 0.966 60 T CA 1.433 63.449 62.100 -0.140 0.000 1.141 60 T CB 0.361 69.149 68.868 -0.134 0.000 0.905 60 T HN -0.592 7.529 8.240 -0.087 0.067 0.535 61 K N 6.596 126.884 120.400 -0.186 0.000 2.448 61 K HA -0.168 4.166 4.320 -0.223 -0.148 0.278 61 K C 1.352 177.829 176.600 -0.204 0.000 1.009 61 K CA 0.746 56.923 56.287 -0.184 0.000 0.995 61 K CB 0.290 32.742 32.500 -0.079 0.000 0.917 61 K HN 0.470 8.642 8.250 -0.130 0.000 0.481 62 Y N 3.266 123.508 120.300 -0.098 0.000 2.193 62 Y HA -0.483 3.982 4.550 -0.142 0.000 0.285 62 Y C 2.197 178.050 175.900 -0.079 0.000 1.166 62 Y CA 4.579 62.616 58.100 -0.106 0.000 1.181 62 Y CB -0.408 38.003 38.460 -0.081 0.000 0.976 62 Y HN -0.015 8.143 8.280 -0.204 0.000 0.520 63 E N -2.002 118.245 120.200 0.078 0.000 2.106 63 E HA -0.366 3.998 4.350 0.024 0.000 0.192 63 E C 2.065 178.681 176.600 0.027 0.000 0.984 63 E CA 3.035 59.449 56.400 0.023 0.000 0.806 63 E CB -0.827 28.855 29.700 -0.029 0.000 0.750 63 E HN 0.234 8.625 8.360 0.071 0.012 0.458 64 D N -0.410 119.973 120.400 -0.027 0.000 2.144 64 D HA -0.195 4.438 4.640 -0.011 0.000 0.200 64 D C 2.564 178.809 176.300 -0.091 0.000 0.978 64 D CA 3.151 57.124 54.000 -0.045 0.000 0.833 64 D CB -0.345 40.414 40.800 -0.067 0.000 0.961 64 D HN -0.721 7.528 8.370 -0.048 0.093 0.470 65 I N 0.131 120.575 120.570 -0.211 0.000 2.226 65 I HA -0.540 3.322 4.170 -0.514 0.000 0.245 65 I C 1.215 177.243 176.117 -0.148 0.000 1.100 65 I CA 4.015 65.081 61.300 -0.389 0.000 1.374 65 I CB -0.101 37.526 38.000 -0.621 0.000 1.057 65 I HN -0.514 7.567 8.210 -0.214 0.000 0.413 66 Y N 0.234 120.450 120.300 -0.141 0.000 2.097 66 Y HA -0.623 3.877 4.550 -0.085 0.000 0.282 66 Y C 1.646 177.508 175.900 -0.064 0.000 1.152 66 Y CA 4.504 62.554 58.100 -0.083 0.000 1.136 66 Y CB 0.090 38.522 38.460 -0.047 0.000 0.975 66 Y HN -0.331 8.020 8.280 0.118 0.000 0.498 67 R N -2.282 118.362 120.500 0.239 0.000 2.081 67 R HA -0.410 4.072 4.340 0.237 0.000 0.235 67 R C 2.392 178.719 176.300 0.044 0.000 1.131 67 R CA 3.318 59.514 56.100 0.160 0.000 0.960 67 R CB -0.277 30.085 30.300 0.105 0.000 0.856 67 R HN -0.485 7.913 8.270 0.212 0.000 0.436 68 D N -0.156 120.248 120.400 0.006 0.000 2.087 68 D HA -0.242 4.411 4.640 0.022 0.000 0.192 68 D C 2.390 178.656 176.300 -0.057 0.000 0.993 68 D CA 3.016 57.017 54.000 0.002 0.000 0.828 68 D CB -0.114 40.718 40.800 0.054 0.000 0.968 68 D HN -0.521 7.848 8.370 -0.001 0.000 0.448 69 L N -1.677 119.443 121.223 -0.172 0.000 2.131 69 L HA -0.401 3.689 4.340 -0.417 0.000 0.210 69 L C 2.128 178.891 176.870 -0.178 0.000 1.092 69 L CA 2.985 57.597 54.840 -0.380 0.000 0.759 69 L CB -0.311 41.334 42.059 -0.691 0.000 0.903 69 L HN -0.346 7.777 8.230 -0.179 0.000 0.435 70 E N -1.018 119.094 120.200 -0.146 0.000 2.150 70 E HA -0.419 3.903 4.350 -0.046 0.000 0.193 70 E C 1.902 178.524 176.600 0.036 0.000 0.985 70 E CA 3.023 59.388 56.400 -0.059 0.000 0.814 70 E CB 0.157 29.825 29.700 -0.055 0.000 0.752 70 E HN -0.197 8.041 8.360 -0.170 0.019 0.466 71 S N -1.876 113.843 115.700 0.032 0.000 2.461 71 S HA -0.131 4.370 4.470 0.052 0.000 0.228 71 S C 1.893 176.528 174.600 0.058 0.000 1.005 71 S CA 2.271 60.499 58.200 0.047 0.000 0.942 71 S CB -0.310 62.913 63.200 0.038 0.000 0.776 71 S HN -0.487 7.831 8.310 0.013 0.000 0.514 72 K N 0.629 121.072 120.400 0.072 0.000 2.007 72 K HA -0.103 4.259 4.320 0.070 0.000 0.206 72 K C 0.194 176.878 176.600 0.141 0.000 1.047 72 K CA 1.964 58.314 56.287 0.104 0.000 0.937 72 K CB 0.765 33.345 32.500 0.134 0.000 0.718 72 K HN -0.755 7.429 8.250 0.054 0.099 0.438 73 D N -3.237 117.308 120.400 0.242 0.000 2.491 73 D HA 0.146 4.863 4.640 0.128 0.000 0.232 73 D C -1.391 175.073 176.300 0.273 0.000 1.334 73 D CA -0.081 54.041 54.000 0.205 0.000 0.909 73 D CB 0.564 41.429 40.800 0.108 0.000 1.513 73 D HN -0.530 8.026 8.370 0.311 0.000 0.514 74 K N 4.411 124.911 120.400 0.166 0.000 2.020 74 K HA -0.437 3.960 4.320 0.129 0.000 0.212 74 K C 1.403 178.077 176.600 0.123 0.000 1.050 74 K CA 3.635 60.000 56.287 0.130 0.000 0.929 74 K CB 0.099 32.649 32.500 0.083 0.000 0.714 74 K HN 0.135 8.461 8.250 0.126 0.000 0.443 75 E N -1.724 118.536 120.200 0.100 0.000 2.058 75 E HA -0.320 4.059 4.350 0.049 0.000 0.194 75 E C 2.144 178.777 176.600 0.055 0.000 0.997 75 E CA 2.689 59.130 56.400 0.068 0.000 0.801 75 E CB -0.620 29.116 29.700 0.060 0.000 0.746 75 E HN -0.043 8.375 8.360 0.096 0.000 0.450 76 F N 1.393 121.286 119.950 -0.095 0.000 2.095 76 F HA -0.420 4.000 4.527 -0.179 0.000 0.298 76 F C 1.734 177.380 175.800 -0.257 0.000 1.104 76 F CA 3.726 61.588 58.000 -0.229 0.000 1.232 76 F CB 0.301 39.060 39.000 -0.401 0.000 0.987 76 F HN -0.684 8.008 8.300 0.208 -0.268 0.475 77 Y N -4.616 115.745 120.300 0.100 0.000 2.544 77 Y HA -0.006 4.658 4.550 -0.073 -0.157 0.286 77 Y C 2.172 178.020 175.900 -0.087 0.000 1.141 77 Y CA 1.694 59.787 58.100 -0.011 0.000 1.299 77 Y CB -0.690 37.796 38.460 0.044 0.000 1.030 77 Y HN -0.399 8.011 8.280 0.217 0.000 0.543 78 T N 2.785 117.361 114.554 0.037 0.000 2.894 78 T HA -0.230 4.137 4.350 0.029 0.000 0.258 78 T C 2.518 177.192 174.700 -0.044 0.000 1.043 78 T CA 4.500 66.606 62.100 0.010 0.000 1.141 78 T CB -0.141 68.741 68.868 0.023 0.000 0.873 78 T HN -0.223 7.900 8.240 0.041 0.142 0.449 79 Q N 1.344 121.077 119.800 -0.112 0.000 2.119 79 Q HA -0.182 4.101 4.340 -0.095 0.000 0.201 79 Q C 1.721 177.614 176.000 -0.178 0.000 0.972 79 Q CA 2.482 58.200 55.803 -0.143 0.000 0.847 79 Q CB -0.323 28.312 28.738 -0.172 0.000 0.903 79 Q HN -0.214 7.978 8.270 -0.130 0.000 0.433 80 N N -3.563 114.975 118.700 -0.270 0.000 2.461 80 N HA -0.064 4.559 4.740 -0.195 0.000 0.188 80 N C 0.825 176.283 175.510 -0.087 0.000 1.134 80 N CA -0.360 52.555 53.050 -0.225 0.000 0.878 80 N CB -0.581 37.685 38.487 -0.369 0.000 0.972 80 N HN -0.648 7.518 8.380 -0.357 0.000 0.456 81 G N -0.522 108.252 108.800 -0.042 0.000 2.143 81 G HA2 -0.376 3.609 3.960 0.041 0.000 0.249 81 G HA3 -0.376 3.598 3.960 0.023 0.000 0.249 81 G C 0.144 175.099 174.900 0.092 0.000 0.981 81 G CA 0.942 46.060 45.100 0.031 0.000 0.665 81 G HN -0.511 7.575 8.290 -0.056 0.170 0.528 82 L N 1.042 122.314 121.223 0.082 0.000 2.072 82 L HA -0.325 4.067 4.340 0.087 0.000 0.205 82 L C 1.142 178.041 176.870 0.047 0.000 1.079 82 L CA 2.694 57.589 54.840 0.092 0.000 0.752 82 L CB -0.248 41.908 42.059 0.163 0.000 0.906 82 L HN -0.670 7.798 8.230 0.071 -0.195 0.436 83 L N -2.659 118.568 121.223 0.007 0.000 2.046 83 L HA -0.526 3.652 4.340 -0.270 0.000 0.208 83 L C 1.753 178.721 176.870 0.162 0.000 1.077 83 L CA 3.735 58.512 54.840 -0.104 0.000 0.747 83 L CB -0.569 41.337 42.059 -0.254 0.000 0.896 83 L HN -0.347 7.901 8.230 0.031 0.000 0.432 84 H N -1.255 117.864 119.070 0.081 0.000 2.321 84 H HA -0.372 4.256 4.556 0.119 0.000 0.300 84 H C 1.674 177.034 175.328 0.054 0.000 1.087 84 H CA 3.516 59.614 56.048 0.084 0.000 1.319 84 H CB -0.079 29.710 29.762 0.044 0.000 1.379 84 H HN -0.364 8.057 8.280 0.234 0.000 0.501 85 M N -0.300 119.300 119.600 0.001 0.000 2.108 85 M HA -0.425 3.966 4.480 -0.149 0.000 0.261 85 M C 1.706 177.921 176.300 -0.142 0.000 1.066 85 M CA 4.193 59.445 55.300 -0.080 0.000 1.107 85 M CB -0.128 32.491 32.600 0.032 0.000 1.356 85 M HN -0.650 7.722 8.290 0.138 0.000 0.406 86 L N -1.801 119.404 121.223 -0.030 0.000 2.056 86 L HA -0.373 3.941 4.340 -0.044 0.000 0.207 86 L C 2.248 179.100 176.870 -0.030 0.000 1.078 86 L CA 2.992 57.840 54.840 0.013 0.000 0.749 86 L CB -0.315 41.828 42.059 0.140 0.000 0.901 86 L HN -0.177 8.067 8.230 0.024 0.000 0.433 87 D N -1.404 119.010 120.400 0.022 0.000 2.149 87 D HA -0.220 4.341 4.640 -0.131 0.000 0.201 87 D C 2.614 178.787 176.300 -0.212 0.000 0.972 87 D CA 3.113 57.051 54.000 -0.103 0.000 0.835 87 D CB 0.280 41.035 40.800 -0.075 0.000 0.966 87 D HN -0.315 8.118 8.370 0.105 0.000 0.476 88 R N -0.431 119.883 120.500 -0.310 0.000 2.083 88 R HA -0.304 3.871 4.340 -0.274 0.000 0.237 88 R C 2.016 178.120 176.300 -0.327 0.000 1.137 88 R CA 2.724 58.625 56.100 -0.332 0.000 0.951 88 R CB -0.407 29.626 30.300 -0.446 0.000 0.851 88 R HN -0.163 7.887 8.270 -0.366 0.000 0.434 89 N N -1.134 117.306 118.700 -0.432 0.000 2.120 89 N HA -0.295 4.079 4.740 -0.611 0.000 0.188 89 N C 2.027 177.166 175.510 -0.618 0.000 1.024 89 N CA 2.699 55.317 53.050 -0.720 0.000 0.852 89 N CB -0.532 37.156 38.487 -1.331 0.000 1.003 89 N HN -0.332 7.803 8.380 -0.408 0.000 0.424 90 R N 0.479 120.756 120.500 -0.372 0.000 2.103 90 R HA -0.345 4.130 4.340 0.016 -0.126 0.242 90 R C 1.955 178.183 176.300 -0.120 0.000 1.142 90 R CA 3.017 59.045 56.100 -0.120 0.000 0.960 90 R CB -0.174 30.078 30.300 -0.079 0.000 0.858 90 R HN -0.374 7.698 8.270 -0.331 0.000 0.439 91 R N -3.801 116.603 120.500 -0.160 0.000 2.280 91 R HA -0.147 4.134 4.340 -0.098 0.000 0.207 91 R C 1.392 177.611 176.300 -0.134 0.000 1.043 91 R CA 2.045 58.069 56.100 -0.127 0.000 1.006 91 R CB -0.041 30.185 30.300 -0.122 0.000 0.885 91 R HN -0.601 7.546 8.270 -0.191 0.008 0.467 92 I N -3.605 116.849 120.570 -0.193 0.000 2.512 92 I HA -0.195 3.854 4.170 -0.202 0.000 0.247 92 I C -0.396 175.631 176.117 -0.151 0.000 1.094 92 I CA 1.834 62.995 61.300 -0.231 0.000 1.427 92 I CB 1.164 38.926 38.000 -0.397 0.000 1.149 92 I HN -0.497 7.408 8.210 -0.236 0.164 0.438 93 K N -2.894 117.454 120.400 -0.086 0.000 2.571 93 K HA 0.238 4.573 4.320 0.026 0.000 0.289 93 K C -1.741 174.956 176.600 0.160 0.000 1.028 93 K CA -1.026 55.286 56.287 0.042 0.000 0.895 93 K CB 1.942 34.491 32.500 0.083 0.000 1.534 93 K HN -0.520 7.658 8.250 -0.119 0.000 0.421 94 K N -2.114 118.369 120.400 0.139 0.000 2.116 94 K HA -0.146 4.250 4.320 0.128 0.000 0.203 94 K C -1.318 175.341 176.600 0.098 0.000 1.052 94 K CA 3.273 59.633 56.287 0.122 0.000 0.952 94 K CB 0.536 33.063 32.500 0.045 0.000 0.729 94 K HN 0.457 8.769 8.250 0.102 0.000 0.446 95 C N -7.602 111.694 119.300 -0.005 0.000 3.239 95 C HA 0.462 4.376 4.460 -0.911 0.000 0.317 95 C C -2.608 172.162 174.990 -0.366 0.000 1.310 95 C CA -4.322 54.443 59.018 -0.422 0.000 1.371 95 C CB 2.586 30.192 27.740 -0.223 0.000 1.714 95 C HN -0.586 7.691 8.230 0.079 0.000 0.473 96 P HA -0.008 4.480 4.420 0.112 0.000 0.268 96 P C -1.581 175.887 177.300 0.280 0.000 1.204 96 P CA -0.047 63.014 63.100 -0.065 0.000 0.768 96 P CB 0.694 32.265 31.700 -0.215 0.000 0.842 97 E N 1.387 121.816 120.200 0.381 0.000 2.238 97 E HA 0.211 4.751 4.350 0.317 0.000 0.267 97 E C -1.362 175.364 176.600 0.210 0.000 0.887 97 E CA -1.671 54.928 56.400 0.332 0.000 0.769 97 E CB 4.240 34.084 29.700 0.239 0.000 1.187 97 E HN 0.082 8.644 8.360 0.336 0.000 0.416 98 R N 3.743 124.101 120.500 -0.237 0.000 2.254 98 R HA 0.375 4.411 4.340 -0.850 -0.207 0.318 98 R C 1.252 177.424 176.300 -0.213 0.000 1.031 98 R CA -0.564 55.137 56.100 -0.666 0.000 0.905 98 R CB 1.279 30.953 30.300 -1.044 0.000 1.050 98 R HN 0.474 8.652 8.270 -0.153 0.000 0.456 99 F N 8.992 128.761 119.950 -0.301 0.000 2.171 99 F HA -0.353 3.706 4.527 -0.780 0.000 0.300 99 F C 1.024 176.492 175.800 -0.553 0.000 1.090 99 F CA 3.815 61.524 58.000 -0.485 0.000 1.293 99 F CB 0.487 39.271 39.000 -0.360 0.000 1.013 99 F HN 0.524 8.832 8.300 0.012 0.000 0.486 100 Q N -3.903 115.544 119.800 -0.589 0.000 2.437 100 Q HA -0.245 2.943 4.340 -1.919 0.000 0.210 100 Q C -0.003 175.674 176.000 -0.538 0.000 0.972 100 Q CA 2.583 57.818 55.803 -0.947 0.000 0.903 100 Q CB -0.444 28.026 28.738 -0.446 0.000 0.967 100 Q HN 0.361 8.422 8.270 -0.348 0.000 0.486 101 D N -3.787 116.380 120.400 -0.389 0.000 2.398 101 D HA 0.177 4.732 4.640 -0.142 0.000 0.210 101 D C -0.318 175.866 176.300 -0.192 0.000 1.094 101 D CA 0.344 54.221 54.000 -0.205 0.000 0.839 101 D CB 0.884 41.604 40.800 -0.133 0.000 0.963 101 D HN -0.553 7.515 8.370 -0.407 0.057 0.506 102 T N 2.057 116.407 114.554 -0.339 0.000 2.909 102 T HA -0.006 4.278 4.350 -0.111 0.000 0.286 102 T C 0.001 174.576 174.700 -0.208 0.000 1.002 102 T CA -0.287 61.663 62.100 -0.249 0.000 1.074 102 T CB 0.565 69.187 68.868 -0.411 0.000 0.984 102 T HN -0.527 7.390 8.240 -0.538 0.000 0.495 103 K N 2.542 122.871 120.400 -0.119 0.000 2.358 103 K HA 0.253 4.507 4.320 -0.110 0.000 0.200 103 K C 0.034 176.527 176.600 -0.177 0.000 1.030 103 K CA -1.120 55.097 56.287 -0.117 0.000 1.097 103 K CB -0.082 32.368 32.500 -0.083 0.000 0.862 103 K HN 0.228 8.431 8.250 -0.078 0.000 0.534 104 E N 1.263 121.353 120.200 -0.184 0.000 2.418 104 E HA -0.053 4.083 4.350 -0.356 0.000 0.261 104 E C -1.028 175.180 176.600 -0.652 0.000 1.070 104 E CA 0.648 56.826 56.400 -0.371 0.000 0.931 104 E CB 0.533 30.080 29.700 -0.254 0.000 0.954 104 E HN -0.683 7.562 8.360 -0.115 0.046 0.439 105 Q N -0.834 118.393 119.800 -0.955 0.000 2.377 105 Q HA 0.183 3.925 4.340 -0.997 0.000 0.271 105 Q C -1.227 174.178 176.000 -0.992 0.000 1.077 105 Q CA -0.985 54.156 55.803 -1.102 0.000 0.820 105 Q CB 2.466 30.456 28.738 -1.247 0.000 1.347 105 Q HN 0.227 7.989 8.270 -0.847 0.000 0.444 106 F N 0.204 120.205 119.950 0.085 0.000 2.613 106 F HA 0.201 4.790 4.527 0.104 0.000 0.314 106 F C -1.135 174.800 175.800 0.226 0.000 1.075 106 F CA -0.799 57.304 58.000 0.172 0.000 0.945 106 F CB 3.013 42.140 39.000 0.210 0.000 1.310 106 F HN -0.051 8.440 8.300 0.317 0.000 0.467 107 D N -1.502 119.106 120.400 0.346 0.000 2.213 107 D HA 0.027 4.816 4.640 0.248 0.000 0.205 107 D C -0.322 176.143 176.300 0.275 0.000 0.961 107 D CA 2.634 56.794 54.000 0.267 0.000 0.853 107 D CB 1.805 42.731 40.800 0.211 0.000 0.967 107 D HN -0.062 8.507 8.370 0.333 0.000 0.496 108 I N -3.052 117.670 120.570 0.254 0.000 2.619 108 I HA 0.546 5.016 4.170 0.201 -0.179 0.292 108 I C -2.131 174.045 176.117 0.099 0.000 1.100 108 I CA -0.840 60.563 61.300 0.172 0.000 1.043 108 I CB 4.234 42.289 38.000 0.091 0.000 1.239 108 I HN -0.725 7.650 8.210 0.275 0.000 0.420 109 I N 5.626 126.226 120.570 0.051 0.000 2.410 109 I HA 0.450 4.703 4.170 -0.139 -0.167 0.286 109 I C -1.229 174.850 176.117 -0.063 0.000 1.009 109 I CA -1.198 60.062 61.300 -0.067 0.000 1.111 109 I CB 2.320 40.265 38.000 -0.093 0.000 1.262 109 I HN 0.630 8.887 8.210 0.079 0.000 0.443 110 V N 8.947 128.804 119.914 -0.095 0.000 2.394 110 V HA 0.773 5.114 4.120 -0.036 -0.243 0.282 110 V C -0.348 175.707 176.094 -0.065 0.000 1.031 110 V CA -1.571 60.689 62.300 -0.067 0.000 0.881 110 V CB 1.277 33.048 31.823 -0.087 0.000 0.982 110 V HN 0.716 8.831 8.190 -0.124 0.000 0.451 111 T N 1.545 116.088 114.554 -0.019 0.000 2.945 111 T HA 0.848 5.369 4.350 -0.037 -0.194 0.286 111 T C 0.775 175.476 174.700 0.002 0.000 1.025 111 T CA -2.787 59.309 62.100 -0.007 0.000 1.039 111 T CB 2.634 71.534 68.868 0.054 0.000 1.068 111 T HN 0.481 8.732 8.240 0.018 0.000 0.497 112 V N -5.589 114.330 119.914 0.009 0.000 3.427 112 V HA 0.685 5.041 4.120 -0.001 -0.237 0.305 112 V C -1.394 174.709 176.094 0.015 0.000 1.412 112 V CA -1.569 60.736 62.300 0.009 0.000 1.086 112 V CB 0.995 32.828 31.823 0.017 0.000 0.964 112 V HN -0.163 8.035 8.190 0.013 0.000 0.439 113 E N -3.496 116.718 120.200 0.023 0.000 2.396 113 E HA 0.413 4.973 4.350 0.005 -0.207 0.280 113 E C -0.975 175.652 176.600 0.045 0.000 1.065 113 E CA -1.315 55.099 56.400 0.023 0.000 0.831 113 E CB 2.587 32.306 29.700 0.033 0.000 1.272 113 E HN -0.834 7.578 8.360 0.034 -0.032 0.443 114 E N 2.471 122.689 120.200 0.030 0.000 2.118 114 E HA -0.422 3.966 4.350 0.062 0.000 0.195 114 E C 1.496 178.175 176.600 0.131 0.000 0.992 114 E CA 4.064 60.503 56.400 0.066 0.000 0.804 114 E CB 0.042 29.758 29.700 0.026 0.000 0.741 114 E HN 0.685 9.053 8.360 0.013 0.000 0.458 115 R N -2.409 118.142 120.500 0.085 0.000 2.081 115 R HA -0.273 4.113 4.340 0.076 0.000 0.235 115 R C 2.465 178.808 176.300 0.071 0.000 1.131 115 R CA 3.162 59.308 56.100 0.076 0.000 0.960 115 R CB -0.180 30.156 30.300 0.061 0.000 0.856 115 R HN 0.076 8.386 8.270 0.067 0.000 0.436 116 V N 0.259 120.214 119.914 0.069 0.000 2.427 116 V HA -0.448 3.686 4.120 0.023 0.000 0.248 116 V C 1.718 177.826 176.094 0.024 0.000 1.051 116 V CA 3.616 65.938 62.300 0.037 0.000 1.048 116 V CB 0.015 31.856 31.823 0.030 0.000 0.666 116 V HN -0.574 7.659 8.190 0.071 0.000 0.456 117 Y N 0.801 121.065 120.300 -0.061 0.000 2.165 117 Y HA -0.595 3.891 4.550 -0.107 0.000 0.286 117 Y C 1.384 177.247 175.900 -0.060 0.000 1.155 117 Y CA 4.052 62.108 58.100 -0.074 0.000 1.164 117 Y CB -0.167 38.264 38.460 -0.048 0.000 0.978 117 Y HN -0.328 8.003 8.280 0.210 0.075 0.513 118 D N -0.571 119.838 120.400 0.015 0.000 2.117 118 D HA -0.307 4.248 4.640 -0.143 0.000 0.197 118 D C 2.590 178.838 176.300 -0.086 0.000 0.987 118 D CA 3.591 57.554 54.000 -0.061 0.000 0.829 118 D CB -0.543 40.280 40.800 0.038 0.000 0.961 118 D HN -0.179 8.274 8.370 0.138 0.000 0.460 119 L N -0.972 120.225 121.223 -0.042 0.000 2.083 119 L HA -0.370 3.976 4.340 0.011 0.000 0.209 119 L C 2.224 179.080 176.870 -0.024 0.000 1.083 119 L CA 3.185 58.017 54.840 -0.014 0.000 0.752 119 L CB -0.184 41.879 42.059 0.006 0.000 0.899 119 L HN -0.630 7.588 8.230 -0.019 0.000 0.433 120 V N -0.243 119.581 119.914 -0.150 0.000 2.307 120 V HA -0.606 3.415 4.120 -0.166 0.000 0.245 120 V C 1.907 177.924 176.094 -0.127 0.000 1.045 120 V CA 4.687 66.841 62.300 -0.243 0.000 1.024 120 V CB -0.073 31.434 31.823 -0.525 0.000 0.651 120 V HN -0.318 7.762 8.190 -0.183 0.000 0.449 121 V N -0.241 119.507 119.914 -0.277 0.000 2.343 121 V HA -0.594 3.370 4.120 -0.261 0.000 0.247 121 V C 1.758 177.779 176.094 -0.122 0.000 1.051 121 V CA 4.612 66.747 62.300 -0.275 0.000 1.036 121 V CB -0.114 31.433 31.823 -0.460 0.000 0.654 121 V HN -0.251 7.713 8.190 -0.377 0.000 0.451 122 M N -0.452 119.105 119.600 -0.072 0.000 2.117 122 M HA -0.408 4.047 4.480 -0.041 0.000 0.262 122 M C 1.645 177.961 176.300 0.027 0.000 1.065 122 M CA 3.437 58.725 55.300 -0.020 0.000 1.114 122 M CB -0.028 32.572 32.600 0.001 0.000 1.361 122 M HN -0.063 8.175 8.290 -0.087 0.000 0.408 123 H N 0.588 119.660 119.070 0.003 0.000 2.353 123 H HA -0.293 4.274 4.556 0.018 0.000 0.300 123 H C 2.147 177.486 175.328 0.020 0.000 1.090 123 H CA 3.893 59.967 56.048 0.042 0.000 1.327 123 H CB 0.202 30.058 29.762 0.158 0.000 1.383 123 H HN -0.501 7.899 8.280 0.200 0.000 0.508 124 M N -3.038 116.602 119.600 0.067 0.000 2.175 124 M HA -0.266 4.182 4.480 -0.053 0.000 0.264 124 M C 2.422 178.660 176.300 -0.103 0.000 1.063 124 M CA 2.053 57.326 55.300 -0.045 0.000 1.119 124 M CB -0.967 31.590 32.600 -0.071 0.000 1.377 124 M HN -0.396 7.973 8.290 0.132 0.000 0.415 125 E N -3.411 116.739 120.200 -0.084 0.000 2.285 125 E HA -0.174 4.140 4.350 -0.060 0.000 0.194 125 E C 1.257 177.812 176.600 -0.075 0.000 0.997 125 E CA 1.939 58.297 56.400 -0.070 0.000 0.845 125 E CB 0.243 29.907 29.700 -0.059 0.000 0.782 125 E HN -0.434 7.884 8.360 -0.071 0.000 0.491 126 S N -2.709 112.926 115.700 -0.107 0.000 2.470 126 S HA -0.124 4.299 4.470 -0.079 0.000 0.225 126 S C 0.496 175.017 174.600 -0.132 0.000 1.006 126 S CA 1.433 59.566 58.200 -0.113 0.000 0.934 126 S CB 0.619 63.743 63.200 -0.127 0.000 0.778 126 S HN -0.562 7.647 8.310 -0.125 0.027 0.517 127 M N 2.687 122.189 119.600 -0.165 0.000 2.288 127 M HA 0.018 4.421 4.480 -0.129 0.000 0.334 127 M C -0.602 175.658 176.300 -0.066 0.000 1.150 127 M CA 0.330 55.550 55.300 -0.133 0.000 1.118 127 M CB 1.104 33.608 32.600 -0.160 0.000 1.501 127 M HN -0.934 7.216 8.290 -0.184 0.029 0.462 128 E N 1.200 121.375 120.200 -0.041 0.000 2.313 128 E HA -0.034 4.303 4.350 -0.022 0.000 0.276 128 E C 0.072 176.676 176.600 0.008 0.000 1.031 128 E CA -0.330 56.059 56.400 -0.019 0.000 0.857 128 E CB 0.719 30.408 29.700 -0.019 0.000 1.040 128 E HN 0.166 8.499 8.360 -0.044 0.000 0.408 129 S N 7.063 122.771 115.700 0.013 0.000 3.530 129 S HA -0.041 4.506 4.470 0.079 -0.029 0.279 129 S C 0.114 174.727 174.600 0.021 0.000 1.280 129 S CA 0.463 58.688 58.200 0.041 0.000 0.946 129 S CB -0.843 62.370 63.200 0.021 0.000 1.501 129 S HN 0.393 8.703 8.310 0.000 0.000 0.498 130 V N 1.167 121.104 119.914 0.039 0.000 2.446 130 V HA -0.036 4.087 4.120 0.004 0.000 0.244 130 V C 0.408 176.517 176.094 0.025 0.000 1.039 130 V CA 1.858 64.170 62.300 0.021 0.000 1.045 130 V CB 0.238 32.072 31.823 0.018 0.000 0.681 130 V HN -0.144 8.081 8.190 0.058 0.000 0.459 131 D N -0.989 119.447 120.400 0.059 0.000 2.354 131 D HA 0.082 4.742 4.640 0.033 0.000 0.209 131 D C -1.048 175.291 176.300 0.066 0.000 1.015 131 D CA 0.162 54.197 54.000 0.058 0.000 0.867 131 D CB 0.281 41.125 40.800 0.073 0.000 0.933 131 D HN -0.535 7.777 8.370 0.090 0.112 0.520 132 N N -1.871 116.871 118.700 0.071 0.000 2.721 132 N HA -0.237 4.506 4.740 0.006 0.000 0.249 132 N C -1.097 174.524 175.510 0.185 0.000 1.072 132 N CA 0.459 53.530 53.050 0.036 0.000 0.710 132 N CB -1.187 37.249 38.487 -0.085 0.000 0.993 132 N HN -0.185 8.197 8.380 0.073 0.042 0.547 133 R N -0.491 120.171 120.500 0.270 0.000 2.202 133 R HA 0.347 4.824 4.340 0.229 0.000 0.334 133 R C -2.501 173.994 176.300 0.324 0.000 1.036 133 R CA -2.283 53.985 56.100 0.280 0.000 0.878 133 R CB 0.923 31.369 30.300 0.243 0.000 1.067 133 R HN -0.230 8.182 8.270 0.266 0.018 0.457 134 P HA 0.271 4.583 4.420 -0.485 -0.184 0.271 134 P C -1.613 175.556 177.300 -0.219 0.000 1.216 134 P CA -0.391 62.624 63.100 -0.141 0.000 0.776 134 P CB 0.687 32.341 31.700 -0.077 0.000 0.881 135 V N 1.365 121.007 119.914 -0.453 0.000 2.733 135 V HA 0.308 4.465 4.120 -0.141 -0.122 0.306 135 V C -2.420 173.439 176.094 -0.393 0.000 1.084 135 V CA -2.122 60.015 62.300 -0.271 0.000 0.905 135 V CB 3.264 35.032 31.823 -0.091 0.000 1.010 135 V HN 0.303 8.098 8.190 -0.658 0.000 0.424 136 H N 7.902 126.975 119.070 0.006 0.000 2.552 136 H HA 0.506 5.229 4.556 0.011 -0.161 0.311 136 H C -0.388 174.975 175.328 0.058 0.000 1.071 136 H CA -1.168 54.914 56.048 0.058 0.000 1.307 136 H CB 1.378 31.235 29.762 0.159 0.000 1.416 136 H HN -0.050 8.264 8.280 0.055 0.000 0.464 137 V N 5.682 125.677 119.914 0.134 0.000 2.383 137 V HA 0.424 4.795 4.120 0.078 -0.204 0.275 137 V C -1.285 174.981 176.094 0.286 0.000 1.036 137 V CA -0.527 61.844 62.300 0.119 0.000 0.889 137 V CB 0.606 32.406 31.823 -0.037 0.000 0.985 137 V HN 0.269 8.498 8.190 0.064 0.000 0.459 138 L N 6.799 128.138 121.223 0.194 0.000 2.356 138 L HA 0.753 5.419 4.340 0.170 -0.225 0.277 138 L C -1.400 175.501 176.870 0.052 0.000 0.996 138 L CA -1.904 53.010 54.840 0.123 0.000 0.822 138 L CB 2.436 44.496 42.059 0.002 0.000 1.256 138 L HN 0.595 8.897 8.230 0.120 0.000 0.413 139 N N 3.256 121.913 118.700 -0.071 0.000 2.425 139 N HA 0.410 5.316 4.740 -0.041 -0.190 0.268 139 N C -1.332 174.113 175.510 -0.109 0.000 0.991 139 N CA -0.632 52.338 53.050 -0.133 0.000 0.931 139 N CB 2.401 40.648 38.487 -0.401 0.000 1.130 139 N HN 0.225 8.515 8.380 -0.151 0.000 0.493 140 V N 6.495 126.373 119.914 -0.061 0.000 2.376 140 V HA 0.228 4.332 4.120 -0.027 0.000 0.287 140 V C -1.659 174.424 176.094 -0.018 0.000 1.015 140 V CA -1.239 61.042 62.300 -0.031 0.000 0.834 140 V CB 2.124 33.937 31.823 -0.017 0.000 1.001 140 V HN 0.269 8.431 8.190 -0.047 0.000 0.428 141 D N 8.608 128.998 120.400 -0.016 0.000 2.450 141 D HA -0.158 4.634 4.640 -0.009 -0.158 0.247 141 D C -0.816 175.487 176.300 0.005 0.000 1.162 141 D CA 1.552 55.548 54.000 -0.008 0.000 0.879 141 D CB 0.090 40.884 40.800 -0.010 0.000 1.163 141 D HN 0.456 8.814 8.370 -0.019 0.000 0.472 142 V N 3.592 123.512 119.914 0.010 0.000 2.482 142 V HA 0.300 4.429 4.120 0.014 0.000 0.295 142 V C -0.877 175.229 176.094 0.020 0.000 1.026 142 V CA -1.422 60.887 62.300 0.015 0.000 0.856 142 V CB 2.904 34.737 31.823 0.017 0.000 1.001 142 V HN -0.064 8.133 8.190 0.011 0.000 0.424 143 V N 6.971 126.896 119.914 0.018 0.000 2.763 143 V HA -0.255 3.879 4.120 0.024 0.000 0.306 143 V C -0.107 176.005 176.094 0.029 0.000 1.059 143 V CA 0.717 63.030 62.300 0.022 0.000 1.138 143 V CB 0.665 32.497 31.823 0.016 0.000 0.940 143 V HN 0.216 8.414 8.190 0.014 0.000 0.489 144 N N 6.448 125.170 118.700 0.036 0.000 3.188 144 N HA 0.014 4.780 4.740 0.043 0.000 0.279 144 N C -1.763 173.773 175.510 0.044 0.000 1.213 144 N CA -0.425 52.651 53.050 0.044 0.000 1.138 144 N CB -1.338 37.180 38.487 0.052 0.000 1.417 144 N HN 0.301 8.704 8.380 0.038 0.000 0.526 145 N N 1.552 120.274 118.700 0.037 0.000 2.732 145 N HA 0.117 4.880 4.740 0.040 0.000 0.259 145 N C -0.755 174.776 175.510 0.035 0.000 1.402 145 N CA -1.218 51.853 53.050 0.035 0.000 0.829 145 N CB 2.188 40.691 38.487 0.027 0.000 1.495 145 N HN -0.723 7.629 8.380 0.034 0.048 0.511 146 A N -0.333 122.508 122.820 0.035 0.000 1.908 146 A HA -0.222 4.129 4.320 0.052 0.000 0.218 146 A C 1.759 179.365 177.584 0.037 0.000 1.181 146 A CA 3.056 55.118 52.037 0.043 0.000 0.627 146 A CB -0.120 18.906 19.000 0.043 0.000 0.818 146 A HN 0.659 8.828 8.150 0.032 0.000 0.445 147 E N -1.909 118.304 120.200 0.022 0.000 2.047 147 E HA -0.291 4.070 4.350 0.019 0.000 0.191 147 E C 2.444 179.053 176.600 0.015 0.000 0.987 147 E CA 3.144 59.552 56.400 0.014 0.000 0.799 147 E CB -0.316 29.383 29.700 -0.002 0.000 0.752 147 E HN -0.430 8.052 8.360 0.016 -0.112 0.449 148 D N -0.594 119.814 120.400 0.013 0.000 2.269 148 D HA -0.159 4.483 4.640 0.003 0.000 0.208 148 D C 2.092 178.406 176.300 0.023 0.000 0.963 148 D CA 2.848 56.855 54.000 0.011 0.000 0.864 148 D CB -0.128 40.678 40.800 0.010 0.000 0.936 148 D HN -0.252 8.457 8.370 0.014 -0.331 0.505 149 A N 0.647 123.486 122.820 0.032 0.000 1.902 149 A HA -0.293 4.046 4.320 0.032 0.000 0.217 149 A C 1.557 179.166 177.584 0.041 0.000 1.181 149 A CA 3.315 55.374 52.037 0.036 0.000 0.623 149 A CB -0.383 18.642 19.000 0.042 0.000 0.818 149 A HN -0.175 7.975 8.150 0.033 0.019 0.443 150 L N -1.373 119.886 121.223 0.060 0.000 2.017 150 L HA -0.287 4.101 4.340 0.079 0.000 0.208 150 L C 1.933 178.894 176.870 0.152 0.000 1.073 150 L CA 3.041 57.941 54.840 0.099 0.000 0.745 150 L CB -0.187 41.950 42.059 0.130 0.000 0.894 150 L HN -0.734 7.530 8.230 0.057 0.000 0.432 151 M N -3.630 116.021 119.600 0.084 0.000 2.213 151 M HA -0.303 4.202 4.480 0.042 0.000 0.263 151 M C 2.583 178.927 176.300 0.072 0.000 1.062 151 M CA 2.014 57.345 55.300 0.051 0.000 1.105 151 M CB -1.575 31.010 32.600 -0.025 0.000 1.385 151 M HN -0.493 7.825 8.290 0.048 0.000 0.417 152 G N -1.841 106.983 108.800 0.039 0.000 2.408 152 G HA2 -0.314 3.662 3.960 0.026 0.000 0.217 152 G HA3 -0.314 3.655 3.960 0.015 0.000 0.217 152 G C 0.387 175.279 174.900 -0.014 0.000 1.150 152 G CA 1.745 46.857 45.100 0.020 0.000 0.776 152 G HN 0.056 8.254 8.290 0.035 0.113 0.542 153 A N 2.186 124.971 122.820 -0.059 0.000 1.940 153 A HA -0.317 3.929 4.320 -0.123 0.000 0.219 153 A C 1.534 178.862 177.584 -0.427 0.000 1.176 153 A CA 2.765 54.678 52.037 -0.207 0.000 0.631 153 A CB -0.549 18.294 19.000 -0.263 0.000 0.814 153 A HN -0.286 7.761 8.150 -0.029 0.085 0.446 154 F N -2.201 117.454 119.950 -0.491 0.000 2.113 154 F HA -0.363 3.739 4.527 -0.709 0.000 0.297 154 F C 2.023 177.733 175.800 -0.151 0.000 1.103 154 F CA 4.653 62.376 58.000 -0.461 0.000 1.248 154 F CB -0.027 38.770 39.000 -0.338 0.000 0.999 154 F HN -0.808 7.401 8.300 -0.002 0.090 0.475 155 V N 0.138 120.119 119.914 0.112 0.000 2.295 155 V HA -0.548 3.697 4.120 0.209 0.000 0.246 155 V C 2.065 178.241 176.094 0.137 0.000 1.049 155 V CA 4.274 66.670 62.300 0.160 0.000 1.024 155 V CB -0.064 31.841 31.823 0.136 0.000 0.648 155 V HN -0.601 7.649 8.190 0.099 0.000 0.447 156 I N -0.767 119.815 120.570 0.019 0.000 2.226 156 I HA -0.520 3.594 4.170 -0.093 0.000 0.245 156 I C 1.793 177.847 176.117 -0.106 0.000 1.100 156 I CA 4.399 65.659 61.300 -0.066 0.000 1.374 156 I CB -0.241 37.714 38.000 -0.075 0.000 1.057 156 I HN -0.041 8.172 8.210 0.004 0.000 0.413 157 T N 2.282 116.797 114.554 -0.065 0.000 2.867 157 T HA -0.415 3.814 4.350 -0.202 0.000 0.268 157 T C 1.946 176.641 174.700 -0.007 0.000 1.057 157 T CA 5.369 67.432 62.100 -0.063 0.000 1.136 157 T CB -0.340 68.622 68.868 0.156 0.000 0.874 157 T HN -0.477 7.727 8.240 -0.060 0.000 0.466 158 D N 1.911 122.370 120.400 0.099 0.000 2.144 158 D HA -0.192 4.558 4.640 0.184 0.000 0.200 158 D C 1.855 178.233 176.300 0.130 0.000 0.978 158 D CA 3.190 57.305 54.000 0.192 0.000 0.833 158 D CB -0.439 40.548 40.800 0.311 0.000 0.961 158 D HN -0.472 7.969 8.370 0.118 0.000 0.470 159 M N 0.689 120.228 119.600 -0.101 0.000 2.077 159 M HA -0.410 3.588 4.480 -0.803 0.000 0.261 159 M C 1.541 177.656 176.300 -0.308 0.000 1.070 159 M CA 3.912 58.876 55.300 -0.559 0.000 1.125 159 M CB 0.285 32.379 32.600 -0.845 0.000 1.339 159 M HN -0.679 7.482 8.290 -0.075 0.084 0.409 160 I N -1.434 118.976 120.570 -0.266 0.000 2.226 160 I HA -0.552 3.485 4.170 -0.221 0.000 0.245 160 I C 2.094 178.132 176.117 -0.132 0.000 1.100 160 I CA 2.658 63.799 61.300 -0.265 0.000 1.374 160 I CB -1.601 36.109 38.000 -0.483 0.000 1.057 160 I HN -0.210 7.838 8.210 -0.270 0.000 0.413 161 N N -0.475 118.191 118.700 -0.057 0.000 2.149 161 N HA -0.348 4.593 4.740 0.334 0.000 0.188 161 N C 2.173 177.751 175.510 0.113 0.000 1.019 161 N CA 3.082 56.232 53.050 0.166 0.000 0.857 161 N CB 0.025 38.639 38.487 0.211 0.000 0.997 161 N HN -0.253 8.069 8.380 -0.097 0.000 0.426 162 M N -0.384 119.248 119.600 0.054 0.000 2.117 162 M HA -0.349 4.175 4.480 0.072 0.000 0.262 162 M C 2.375 178.681 176.300 0.011 0.000 1.065 162 M CA 3.621 58.948 55.300 0.046 0.000 1.114 162 M CB 0.183 32.814 32.600 0.053 0.000 1.361 162 M HN -0.707 7.508 8.290 0.027 0.091 0.408 163 M N -1.904 117.675 119.600 -0.035 0.000 2.159 163 M HA -0.234 4.210 4.480 -0.060 0.000 0.263 163 M C 2.418 178.730 176.300 0.020 0.000 1.063 163 M CA 1.512 56.786 55.300 -0.043 0.000 1.110 163 M CB -1.609 30.940 32.600 -0.086 0.000 1.374 163 M HN -0.416 7.755 8.290 -0.068 0.078 0.411 164 A N -2.761 120.104 122.820 0.075 0.000 2.121 164 A HA -0.174 4.215 4.320 0.114 0.000 0.218 164 A C 0.669 178.303 177.584 0.084 0.000 1.154 164 A CA 2.036 54.146 52.037 0.122 0.000 0.679 164 A CB -0.838 18.310 19.000 0.247 0.000 0.795 164 A HN -0.233 7.949 8.150 0.084 0.018 0.458 165 K N -3.801 116.639 120.400 0.066 0.000 2.418 165 K HA -0.056 4.295 4.320 0.050 0.000 0.195 165 K C 0.184 176.806 176.600 0.036 0.000 1.035 165 K CA 0.122 56.439 56.287 0.050 0.000 1.003 165 K CB 0.138 32.669 32.500 0.051 0.000 0.793 165 K HN -0.709 7.534 8.250 0.063 0.044 0.494 166 S N -0.567 115.151 115.700 0.030 0.000 2.528 166 S HA -0.059 4.423 4.470 0.020 0.000 0.277 166 S C 1.102 175.719 174.600 0.029 0.000 1.297 166 S CA 0.361 58.574 58.200 0.021 0.000 1.052 166 S CB 0.547 63.749 63.200 0.005 0.000 0.917 166 S HN -0.681 7.495 8.310 0.030 0.151 0.492 167 T N 1.701 116.271 114.554 0.028 0.000 3.188 167 T HA 0.105 4.475 4.350 0.034 0.000 0.250 167 T C -0.202 174.519 174.700 0.035 0.000 1.077 167 T CA -0.071 62.047 62.100 0.031 0.000 0.967 167 T CB -0.093 68.791 68.868 0.027 0.000 1.006 167 T HN 0.234 8.489 8.240 0.025 0.000 0.552 168 D N 0.881 121.301 120.400 0.034 0.000 3.361 168 D HA 0.205 4.875 4.640 0.050 0.000 0.246 168 D C -0.983 175.340 176.300 0.038 0.000 1.395 168 D CA 0.136 54.161 54.000 0.041 0.000 0.839 168 D CB 0.359 41.181 40.800 0.037 0.000 1.469 168 D HN -0.659 7.648 8.370 0.029 0.081 0.636 169 L N 2.307 123.555 121.223 0.041 0.000 2.042 169 L HA -0.260 4.065 4.340 -0.025 0.000 0.210 169 L C 0.598 177.472 176.870 0.007 0.000 1.076 169 L CA 2.570 57.414 54.840 0.006 0.000 0.749 169 L CB 0.118 42.189 42.059 0.019 0.000 0.893 169 L HN 0.292 8.554 8.230 0.053 0.000 0.432 170 D N -3.422 117.043 120.400 0.109 0.000 2.221 170 D HA -0.301 4.494 4.640 0.259 0.000 0.204 170 D C 1.453 177.818 176.300 0.109 0.000 0.982 170 D CA 2.826 56.932 54.000 0.177 0.000 0.857 170 D CB -0.636 40.286 40.800 0.202 0.000 0.934 170 D HN 0.473 8.919 8.370 0.127 0.000 0.475 171 N N -4.233 114.508 118.700 0.067 0.000 2.356 171 N HA 0.066 4.843 4.740 0.062 0.000 0.178 171 N C -0.029 175.494 175.510 0.022 0.000 1.075 171 N CA 0.462 53.542 53.050 0.051 0.000 0.889 171 N CB 0.807 39.323 38.487 0.048 0.000 0.999 171 N HN -0.638 7.755 8.380 0.061 0.024 0.464 172 D N -1.258 119.141 120.400 -0.001 0.000 2.392 172 D HA 0.171 4.805 4.640 -0.009 0.000 0.206 172 D C 0.581 176.844 176.300 -0.063 0.000 1.046 172 D CA 0.703 54.691 54.000 -0.021 0.000 0.865 172 D CB 1.326 42.116 40.800 -0.017 0.000 0.969 172 D HN -0.653 7.599 8.370 -0.003 0.117 0.509 173 I N 0.556 121.058 120.570 -0.114 0.000 2.226 173 I HA -0.460 3.576 4.170 -0.222 0.000 0.245 173 I C 0.069 176.060 176.117 -0.210 0.000 1.100 173 I CA 3.438 64.599 61.300 -0.231 0.000 1.374 173 I CB 0.161 37.893 38.000 -0.446 0.000 1.057 173 I HN -0.312 7.839 8.210 -0.097 0.000 0.413 174 D N -1.561 118.766 120.400 -0.121 0.000 2.123 174 D HA -0.354 4.223 4.640 -0.106 0.000 0.196 174 D C 2.336 178.607 176.300 -0.048 0.000 0.992 174 D CA 3.992 57.951 54.000 -0.067 0.000 0.833 174 D CB -0.927 39.885 40.800 0.020 0.000 0.954 174 D HN 0.332 8.658 8.370 -0.072 0.000 0.455 175 E N 0.050 120.231 120.200 -0.032 0.000 2.107 175 E HA -0.177 4.170 4.350 -0.004 0.000 0.191 175 E C 2.446 179.038 176.600 -0.014 0.000 0.982 175 E CA 2.451 58.843 56.400 -0.013 0.000 0.809 175 E CB -0.056 29.642 29.700 -0.003 0.000 0.756 175 E HN -0.663 7.678 8.360 -0.032 0.000 0.459 176 L N -0.926 120.274 121.223 -0.037 0.000 2.056 176 L HA -0.339 4.006 4.340 0.008 0.000 0.207 176 L C 2.345 179.212 176.870 -0.004 0.000 1.078 176 L CA 3.150 57.976 54.840 -0.022 0.000 0.749 176 L CB -0.065 41.958 42.059 -0.060 0.000 0.901 176 L HN -0.393 7.802 8.230 -0.059 0.000 0.433 177 I N -1.389 119.140 120.570 -0.069 0.000 2.163 177 I HA -0.622 3.516 4.170 -0.053 0.000 0.243 177 I C 1.905 178.047 176.117 0.041 0.000 1.085 177 I CA 4.375 65.644 61.300 -0.052 0.000 1.347 177 I CB -0.213 37.700 38.000 -0.146 0.000 1.044 177 I HN 0.001 8.141 8.210 -0.117 0.000 0.408 178 Q N -0.398 119.412 119.800 0.018 0.000 2.124 178 Q HA -0.281 4.299 4.340 0.032 -0.221 0.202 178 Q C 2.159 178.186 176.000 0.044 0.000 0.977 178 Q CA 2.613 58.434 55.803 0.030 0.000 0.850 178 Q CB -0.576 28.172 28.738 0.017 0.000 0.901 178 Q HN -0.513 7.755 8.270 -0.004 0.000 0.429 179 E N 0.411 120.643 120.200 0.053 0.000 2.106 179 E HA -0.246 4.120 4.350 0.027 0.000 0.192 179 E C 1.885 178.529 176.600 0.073 0.000 0.984 179 E CA 2.446 58.877 56.400 0.051 0.000 0.806 179 E CB -0.609 29.122 29.700 0.051 0.000 0.750 179 E HN -0.622 7.670 8.360 0.048 0.097 0.458 180 F N 0.156 120.086 119.950 -0.033 0.000 2.186 180 F HA -0.291 4.221 4.527 -0.025 0.000 0.299 180 F C 1.740 177.521 175.800 -0.030 0.000 1.090 180 F CA 3.716 61.697 58.000 -0.032 0.000 1.307 180 F CB 0.514 39.488 39.000 -0.043 0.000 1.019 180 F HN -0.372 7.987 8.300 0.250 0.091 0.489 181 E N -0.170 120.110 120.200 0.132 0.000 2.072 181 E HA -0.350 4.201 4.350 0.060 -0.166 0.191 181 E C 2.726 179.305 176.600 -0.035 0.000 0.985 181 E CA 3.017 59.446 56.400 0.048 0.000 0.801 181 E CB -0.145 29.588 29.700 0.056 0.000 0.750 181 E HN -0.178 8.281 8.360 0.165 0.000 0.452 182 E N -1.258 118.925 120.200 -0.029 0.000 2.150 182 E HA -0.300 4.028 4.350 -0.037 0.000 0.193 182 E C 2.174 178.726 176.600 -0.080 0.000 0.985 182 E CA 2.729 59.104 56.400 -0.043 0.000 0.814 182 E CB -0.049 29.637 29.700 -0.023 0.000 0.752 182 E HN -0.490 7.867 8.360 -0.006 0.000 0.466 183 R N -1.599 118.826 120.500 -0.125 0.000 2.100 183 R HA -0.154 4.118 4.340 -0.114 0.000 0.220 183 R C 2.209 178.375 176.300 -0.223 0.000 1.091 183 R CA 2.436 58.440 56.100 -0.160 0.000 0.986 183 R CB 0.272 30.471 30.300 -0.169 0.000 0.888 183 R HN -0.601 7.591 8.270 -0.130 0.000 0.444 184 R N -4.102 116.197 120.500 -0.336 0.000 2.334 184 R HA 0.148 4.314 4.340 -0.290 0.000 0.212 184 R C -0.790 175.394 176.300 -0.193 0.000 0.897 184 R CA -1.184 54.704 56.100 -0.353 0.000 1.056 184 R CB 0.471 30.357 30.300 -0.690 0.000 1.046 184 R HN -0.399 7.649 8.270 -0.370 0.000 0.513 185 K N -4.570 115.747 120.400 -0.139 0.000 3.117 185 K HA -0.381 3.978 4.320 -0.062 -0.076 0.269 185 K C -1.253 175.317 176.600 -0.050 0.000 1.098 185 K CA 0.829 57.070 56.287 -0.076 0.000 0.785 185 K CB -3.458 29.001 32.500 -0.068 0.000 1.242 185 K HN -0.217 7.946 8.250 -0.145 0.000 0.491 186 R N -2.568 117.911 120.500 -0.034 0.000 2.686 186 R HA 0.248 4.587 4.340 -0.002 0.000 0.286 186 R C -1.432 174.888 176.300 0.034 0.000 0.969 186 R CA -1.652 54.454 56.100 0.010 0.000 0.898 186 R CB 2.862 33.190 30.300 0.047 0.000 1.183 186 R HN -0.645 7.597 8.270 -0.047 0.000 0.456 187 V N 2.970 122.893 119.914 0.014 0.000 2.530 187 V HA -0.133 3.994 4.120 0.013 0.000 0.282 187 V C -0.613 175.478 176.094 -0.005 0.000 1.048 187 V CA 0.008 62.310 62.300 0.003 0.000 0.997 187 V CB 0.527 32.338 31.823 -0.019 0.000 0.987 187 V HN 0.192 8.383 8.190 0.003 0.000 0.477 188 I N 7.798 128.366 120.570 -0.004 0.000 2.355 188 I HA 0.161 4.504 4.170 -0.062 -0.210 0.288 188 I C -0.532 175.539 176.117 -0.076 0.000 0.999 188 I CA -1.599 59.677 61.300 -0.040 0.000 1.163 188 I CB 1.904 39.891 38.000 -0.023 0.000 1.316 188 I HN -0.309 8.183 8.210 0.010 -0.276 0.454 189 L N 6.786 127.891 121.223 -0.197 0.000 2.380 189 L HA 0.104 4.341 4.340 -0.171 0.000 0.273 189 L C -1.431 175.392 176.870 -0.078 0.000 1.138 189 L CA -0.407 54.255 54.840 -0.297 0.000 0.832 189 L CB 0.587 42.115 42.059 -0.884 0.000 1.124 189 L HN -0.193 7.886 8.230 -0.251 0.000 0.454 190 H N 4.133 123.195 119.070 -0.014 0.000 2.759 190 H HA 0.798 5.654 4.556 0.133 -0.220 0.354 190 H C -1.272 174.161 175.328 0.175 0.000 1.074 190 H CA -1.798 54.310 56.048 0.101 0.000 1.226 190 H CB 3.365 33.150 29.762 0.038 0.000 1.648 190 H HN 0.151 8.508 8.280 0.127 0.000 0.529 191 S N 5.160 120.702 115.700 -0.263 0.000 2.549 191 S HA 0.288 4.523 4.470 -0.393 0.000 0.280 191 S C -1.923 172.399 174.600 -0.463 0.000 1.109 191 S CA -0.993 56.992 58.200 -0.358 0.000 0.905 191 S CB 2.993 66.096 63.200 -0.162 0.000 1.081 191 S HN 0.254 8.532 8.310 -0.052 0.000 0.477 192 V N 4.517 124.180 119.914 -0.419 0.000 2.347 192 V HA 0.148 4.130 4.120 -0.443 -0.128 0.280 192 V C -0.723 175.025 176.094 -0.576 0.000 1.021 192 V CA -0.690 61.342 62.300 -0.446 0.000 0.847 192 V CB 0.573 32.197 31.823 -0.332 0.000 0.990 192 V HN 0.358 8.332 8.190 -0.361 0.000 0.444 193 L N 6.842 127.646 121.223 -0.699 0.000 2.260 193 L HA 0.440 4.467 4.340 -0.523 0.000 0.265 193 L C -1.524 174.738 176.870 -1.015 0.000 1.015 193 L CA -1.349 53.093 54.840 -0.663 0.000 0.826 193 L CB 3.431 45.258 42.059 -0.386 0.000 1.373 193 L HN 0.206 8.049 8.230 -0.646 0.000 0.450 194 F N -4.511 115.304 119.950 -0.225 0.000 2.573 194 F HA 0.604 5.247 4.527 -0.165 -0.215 0.316 194 F C 0.276 175.961 175.800 -0.190 0.000 1.148 194 F CA -1.174 56.721 58.000 -0.175 0.000 0.940 194 F CB 3.193 42.141 39.000 -0.086 0.000 1.214 194 F HN -0.037 8.173 8.300 -0.150 0.000 0.448 195 Y N 0.000 120.378 120.300 0.131 0.000 2.660 195 Y HA 0.000 4.578 4.550 0.047 0.000 0.201 195 Y CA 0.000 58.140 58.100 0.066 0.000 1.940 195 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 195 Y HN 0.000 8.376 8.280 0.161 0.000 0.758