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 1o6e_1_A DATA FIRST_RESID 4 DATA SEQUENCE APSVYVCGFV ERPDAPPKDA CLHLDPLTVK SQLPLKKPLP LTVEHLPDAP DATA SEQUENCE VGSVFGLYQS SAGLFSAASI TSGDFLSLLD SIYHDCDIAQ SQRLPLPREP DATA SEQUENCE KVEALHAWLP SLSLASLHPD IPQTTADGGK LSFFDHVSIC ALGRRRGTTA DATA SEQUENCE VYGTDLAWVL KHFSDLEPSI AAQIENDANA AKRXXXXXXX HPLPLTKLIA DATA SEQUENCE KAIDAGFLRN RVETLRQDRG VANIPAESYL KA 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 4 A HA 0.000 4.320 4.320 0.000 0.000 0.244 4 A C 0.000 177.591 177.584 0.012 0.000 1.274 4 A CA 0.000 52.046 52.037 0.016 0.000 0.836 4 A CB 0.000 19.014 19.000 0.023 0.000 0.831 5 P HA 0.759 5.179 4.420 0.000 0.000 0.279 5 P C -0.193 177.097 177.300 -0.016 0.000 1.282 5 P CA -0.181 62.914 63.100 -0.008 0.000 0.788 5 P CB 1.079 32.774 31.700 -0.008 0.000 1.139 6 S N -1.166 114.496 115.700 -0.063 0.000 2.536 6 S HA 0.542 5.009 4.470 -0.005 0.000 0.298 6 S C -0.327 174.168 174.600 -0.176 0.000 1.083 6 S CA -0.782 57.364 58.200 -0.090 0.000 0.995 6 S CB 1.236 64.372 63.200 -0.106 0.000 1.058 6 S HN 0.262 8.572 8.310 0.000 0.000 0.488 7 V N 2.427 122.292 119.914 -0.081 0.000 2.532 7 V HA 0.427 4.543 4.120 -0.005 0.000 0.295 7 V C -1.155 174.932 176.094 -0.012 0.000 1.041 7 V CA -0.681 61.609 62.300 -0.017 0.000 0.926 7 V CB 0.730 32.645 31.823 0.154 0.000 0.992 7 V HN 0.877 9.067 8.190 0.000 0.000 0.457 8 Y N 2.220 122.657 120.300 0.227 0.000 2.323 8 Y HA 0.585 5.133 4.550 -0.005 0.000 0.331 8 Y C 0.143 176.103 175.900 0.099 0.000 1.092 8 Y CA -0.820 57.398 58.100 0.196 0.000 1.150 8 Y CB 1.704 40.309 38.460 0.240 0.000 1.200 8 Y HN 0.334 8.614 8.280 0.000 0.000 0.472 9 V N 3.202 123.197 119.914 0.136 0.000 2.448 9 V HA 0.558 4.675 4.120 -0.005 0.000 0.295 9 V C -0.403 175.559 176.094 -0.221 0.000 1.025 9 V CA -0.824 61.352 62.300 -0.207 0.000 0.859 9 V CB 1.069 32.689 31.823 -0.339 0.000 0.988 9 V HN 0.879 9.069 8.190 0.000 0.000 0.431 10 C N 2.865 122.018 119.300 -0.244 0.000 2.898 10 C HA 1.062 5.519 4.460 -0.005 0.000 0.304 10 C C 0.563 175.245 174.990 -0.513 0.000 1.237 10 C CA -0.218 58.591 59.018 -0.348 0.000 1.529 10 C CB 1.400 29.194 27.740 0.091 0.000 2.021 10 C HN 1.368 9.598 8.230 0.000 0.000 0.474 11 G N 0.496 108.439 108.800 -1.428 0.000 2.336 11 G HA2 0.431 4.388 3.960 -0.005 0.000 0.300 11 G HA3 0.431 4.388 3.960 -0.005 0.000 0.300 11 G C -1.752 172.296 174.900 -1.420 0.000 1.375 11 G CA -0.786 43.591 45.100 -1.204 0.000 0.885 11 G HN 0.424 8.714 8.290 0.000 0.000 0.599 12 F N 0.979 120.579 119.950 -0.584 0.000 2.411 12 F HA 0.418 4.942 4.527 -0.005 0.000 0.350 12 F C 1.805 177.445 175.800 -0.267 0.000 1.114 12 F CA -0.047 57.738 58.000 -0.359 0.000 1.135 12 F CB 1.749 40.672 39.000 -0.129 0.000 1.120 12 F HN 0.440 8.740 8.300 0.000 0.000 0.495 13 V N -0.733 119.105 119.914 -0.126 0.000 2.951 13 V HA 0.087 4.203 4.120 -0.005 0.000 0.255 13 V C 0.060 176.120 176.094 -0.058 0.000 1.088 13 V CA 1.018 63.239 62.300 -0.132 0.000 1.109 13 V CB -0.431 31.265 31.823 -0.213 0.000 0.724 13 V HN 0.756 8.945 8.190 0.000 0.000 0.471 14 E N 0.427 120.628 120.200 0.002 0.000 2.311 14 E HA 0.520 4.867 4.350 -0.005 0.000 0.281 14 E C -0.903 175.713 176.600 0.028 0.000 0.905 14 E CA -0.607 55.791 56.400 -0.003 0.000 0.778 14 E CB 1.514 31.200 29.700 -0.024 0.000 1.240 14 E HN 0.390 8.750 8.360 0.000 0.000 0.410 15 R N 5.262 125.744 120.500 -0.030 0.000 2.422 15 R HA 0.312 4.649 4.340 -0.005 0.000 0.307 15 R C -2.137 174.111 176.300 -0.087 0.000 1.004 15 R CA -2.080 53.971 56.100 -0.083 0.000 0.882 15 R CB 1.548 31.741 30.300 -0.179 0.000 1.164 15 R HN 0.416 8.686 8.270 0.000 0.000 0.489 16 P HA -0.242 4.178 4.420 0.000 0.000 0.218 16 P C 0.716 177.976 177.300 -0.066 0.000 1.146 16 P CA 1.315 64.375 63.100 -0.066 0.000 0.813 16 P CB 0.226 31.902 31.700 -0.041 0.000 0.778 17 D N -0.813 119.540 120.400 -0.079 0.000 2.348 17 D HA -0.032 4.605 4.640 -0.005 0.000 0.216 17 D C 0.512 176.773 176.300 -0.065 0.000 0.970 17 D CA 0.482 54.440 54.000 -0.071 0.000 0.889 17 D CB -0.248 40.499 40.800 -0.089 0.000 0.912 17 D HN 0.072 8.442 8.370 0.000 0.000 0.524 18 A N 1.069 123.846 122.820 -0.072 0.000 3.159 18 A HA 0.520 4.837 4.320 -0.005 0.000 0.330 18 A C -2.706 174.843 177.584 -0.058 0.000 1.032 18 A CA -1.195 50.808 52.037 -0.057 0.000 0.841 18 A CB 0.672 19.637 19.000 -0.059 0.000 1.093 18 A HN -0.044 8.106 8.150 0.000 0.000 0.478 19 P HA 0.368 4.788 4.420 0.000 0.000 0.271 19 P C -2.488 174.785 177.300 -0.044 0.000 1.233 19 P CA -0.576 62.481 63.100 -0.072 0.000 0.789 19 P CB 0.038 31.716 31.700 -0.036 0.000 0.951 20 P HA 0.327 4.747 4.420 0.000 0.000 0.279 20 P C 0.125 177.481 177.300 0.094 0.000 1.252 20 P CA -0.383 62.731 63.100 0.024 0.000 0.811 20 P CB 0.934 32.653 31.700 0.032 0.000 1.035 21 K N -0.140 120.304 120.400 0.074 0.000 2.367 21 K HA 0.115 4.432 4.320 -0.005 0.000 0.194 21 K C 0.216 176.855 176.600 0.066 0.000 1.027 21 K CA 0.328 56.653 56.287 0.064 0.000 1.075 21 K CB 0.351 32.874 32.500 0.038 0.000 0.845 21 K HN 0.497 8.747 8.250 0.000 0.000 0.529 22 D N -1.513 118.941 120.400 0.090 0.000 2.533 22 D HA 0.337 4.974 4.640 -0.005 0.000 0.247 22 D C 0.064 176.411 176.300 0.077 0.000 1.056 22 D CA -0.302 53.733 54.000 0.059 0.000 1.054 22 D CB 1.938 42.763 40.800 0.041 0.000 1.400 22 D HN -0.070 8.300 8.370 0.000 0.000 0.533 23 A N 0.031 122.841 122.820 -0.018 0.000 1.930 23 A HA -0.049 4.268 4.320 -0.005 0.000 0.215 23 A C 2.225 179.804 177.584 -0.008 0.000 1.176 23 A CA 1.431 53.407 52.037 -0.100 0.000 0.632 23 A CB -0.878 18.044 19.000 -0.130 0.000 0.819 23 A HN 0.725 8.875 8.150 0.000 0.000 0.445 24 C N -1.265 118.045 119.300 0.017 0.000 2.448 24 C HA 0.249 4.705 4.460 -0.005 0.000 0.280 24 C C 1.800 176.833 174.990 0.073 0.000 1.398 24 C CA 0.013 59.040 59.018 0.016 0.000 1.774 24 C CB -1.656 26.084 27.740 0.000 0.000 1.888 24 C HN 0.413 8.643 8.230 0.000 0.000 0.519 25 L N 0.623 121.916 121.223 0.116 0.000 2.672 25 L HA 0.224 4.561 4.340 -0.005 0.000 0.236 25 L C 0.156 177.097 176.870 0.117 0.000 1.186 25 L CA 0.256 55.158 54.840 0.104 0.000 0.977 25 L CB -0.925 41.177 42.059 0.072 0.000 1.203 25 L HN 0.440 8.670 8.230 0.000 0.000 0.448 26 H N -0.311 118.766 119.070 0.011 0.000 2.479 26 H HA 0.487 5.040 4.556 -0.005 0.000 0.335 26 H C -0.609 174.738 175.328 0.032 0.000 1.142 26 H CA -0.407 55.650 56.048 0.014 0.000 1.234 26 H CB 1.977 31.741 29.762 0.002 0.000 1.503 26 H HN -0.120 8.160 8.280 0.000 0.000 0.510 27 L N 1.877 123.150 121.223 0.085 0.000 2.325 27 L HA 0.337 4.674 4.340 -0.005 0.000 0.278 27 L C -0.800 176.126 176.870 0.094 0.000 1.023 27 L CA -0.483 54.417 54.840 0.100 0.000 0.811 27 L CB 1.546 43.653 42.059 0.079 0.000 1.249 27 L HN 0.636 8.866 8.230 0.000 0.000 0.431 28 D N 5.361 125.813 120.400 0.085 0.000 2.349 28 D HA 0.376 5.012 4.640 -0.005 0.000 0.232 28 D C -1.836 174.485 176.300 0.034 0.000 1.071 28 D CA -1.255 52.777 54.000 0.052 0.000 0.832 28 D CB 1.875 42.694 40.800 0.030 0.000 1.086 28 D HN 0.311 8.681 8.370 0.000 0.000 0.504 29 P HA -0.148 4.272 4.420 0.000 0.000 0.221 29 P C 1.037 178.333 177.300 -0.007 0.000 1.141 29 P CA 0.913 64.024 63.100 0.018 0.000 0.794 29 P CB 0.283 31.994 31.700 0.018 0.000 0.764 30 L N -1.758 119.456 121.223 -0.016 0.000 1.988 30 L HA -0.151 4.186 4.340 -0.005 0.000 0.207 30 L C 2.300 179.121 176.870 -0.081 0.000 1.071 30 L CA 1.902 56.718 54.840 -0.041 0.000 0.744 30 L CB -1.986 40.052 42.059 -0.035 0.000 0.893 30 L HN -0.078 8.152 8.230 0.000 0.000 0.433 31 T N -0.264 114.232 114.554 -0.096 0.000 2.833 31 T HA -0.110 4.237 4.350 -0.005 0.000 0.269 31 T C 2.028 176.589 174.700 -0.232 0.000 1.054 31 T CA 1.039 63.020 62.100 -0.198 0.000 1.135 31 T CB -0.171 68.577 68.868 -0.200 0.000 0.869 31 T HN 0.038 8.278 8.240 0.000 0.000 0.466 32 V N 1.586 121.442 119.914 -0.098 0.000 2.214 32 V HA -0.180 3.937 4.120 -0.005 0.000 0.245 32 V C 2.343 178.398 176.094 -0.066 0.000 1.047 32 V CA 1.704 63.984 62.300 -0.034 0.000 0.998 32 V CB -0.457 31.390 31.823 0.039 0.000 0.633 32 V HN 0.391 8.581 8.190 0.000 0.000 0.446 33 K N -0.416 119.953 120.400 -0.052 0.000 2.574 33 K HA -0.103 4.214 4.320 -0.005 0.000 0.193 33 K C 2.209 178.757 176.600 -0.086 0.000 1.035 33 K CA 0.997 57.254 56.287 -0.051 0.000 0.982 33 K CB -0.071 32.410 32.500 -0.032 0.000 0.795 33 K HN 0.440 8.690 8.250 0.000 0.000 0.491 34 S N 0.119 115.737 115.700 -0.137 0.000 2.387 34 S HA -0.050 4.417 4.470 -0.005 0.000 0.221 34 S C 1.705 176.181 174.600 -0.208 0.000 1.041 34 S CA 0.439 58.533 58.200 -0.176 0.000 0.959 34 S CB 0.044 63.106 63.200 -0.230 0.000 0.843 34 S HN 0.347 8.657 8.310 0.000 0.000 0.488 35 Q N 0.949 120.581 119.800 -0.280 0.000 2.167 35 Q HA 0.084 4.421 4.340 -0.005 0.000 0.202 35 Q C 1.270 177.190 176.000 -0.134 0.000 0.970 35 Q CA 0.606 56.245 55.803 -0.274 0.000 0.855 35 Q CB -0.649 27.828 28.738 -0.435 0.000 0.911 35 Q HN 0.575 8.845 8.270 0.000 0.000 0.438 36 L N -1.037 120.126 121.223 -0.100 0.000 7.212 36 L HA -0.303 4.034 4.340 -0.005 0.000 0.055 36 L C -1.175 175.665 176.870 -0.050 0.000 1.466 36 L CA 0.663 55.469 54.840 -0.057 0.000 1.613 36 L CB -1.938 40.090 42.059 -0.051 0.000 2.769 36 L HN 0.205 8.435 8.230 0.000 0.000 1.110 37 P HA 0.030 4.450 4.420 0.000 0.000 0.219 37 P C -0.102 177.165 177.300 -0.055 0.000 1.231 37 P CA 0.751 63.818 63.100 -0.054 0.000 0.673 37 P CB 0.122 31.814 31.700 -0.013 0.000 0.768 38 L N -1.005 120.203 121.223 -0.024 0.000 2.352 38 L HA 0.383 4.720 4.340 -0.005 0.000 0.269 38 L C 1.263 178.136 176.870 0.006 0.000 1.034 38 L CA -0.804 54.034 54.840 -0.005 0.000 0.806 38 L CB 1.310 43.383 42.059 0.024 0.000 1.244 38 L HN 0.182 8.412 8.230 0.000 0.000 0.447 39 K N 0.857 121.266 120.400 0.016 0.000 3.224 39 K HA 0.471 4.788 4.320 -0.005 0.000 0.302 39 K C -0.564 176.054 176.600 0.030 0.000 0.977 39 K CA -0.756 55.542 56.287 0.019 0.000 1.343 39 K CB 0.405 32.917 32.500 0.020 0.000 3.431 39 K HN 0.344 8.594 8.250 0.000 0.000 1.096 40 K N 1.410 121.832 120.400 0.037 0.000 2.132 40 K HA 0.339 4.656 4.320 -0.005 0.000 0.241 40 K C -2.370 174.260 176.600 0.050 0.000 1.000 40 K CA -1.644 54.668 56.287 0.043 0.000 0.911 40 K CB 0.130 32.654 32.500 0.040 0.000 1.093 40 K HN 0.152 8.402 8.250 0.000 0.000 0.460 41 P HA -0.118 4.302 4.420 0.000 0.000 0.269 41 P C -1.221 176.110 177.300 0.050 0.000 1.205 41 P CA -0.082 63.060 63.100 0.070 0.000 0.780 41 P CB 0.331 32.079 31.700 0.080 0.000 0.858 42 L N 4.015 125.260 121.223 0.036 0.000 2.322 42 L HA 0.490 4.827 4.340 -0.005 0.000 0.281 42 L C -2.478 174.401 176.870 0.016 0.000 1.014 42 L CA -2.712 52.143 54.840 0.026 0.000 0.815 42 L CB 1.241 43.298 42.059 -0.003 0.000 1.247 42 L HN 0.222 8.452 8.230 0.000 0.000 0.421 43 P HA 0.072 4.492 4.420 0.000 0.000 0.267 43 P C -1.180 176.107 177.300 -0.022 0.000 1.209 43 P CA -0.105 62.995 63.100 0.000 0.000 0.763 43 P CB 0.458 32.157 31.700 -0.002 0.000 0.816 44 L N 5.700 126.882 121.223 -0.069 0.000 2.262 44 L HA 0.442 4.779 4.340 -0.005 0.000 0.288 44 L C 0.153 176.917 176.870 -0.176 0.000 1.035 44 L CA 0.237 55.009 54.840 -0.114 0.000 0.820 44 L CB 0.151 42.135 42.059 -0.124 0.000 1.204 44 L HN 0.386 8.616 8.230 0.000 0.000 0.424 45 T N 1.598 116.032 114.554 -0.200 0.000 2.940 45 T HA 0.749 5.096 4.350 -0.005 0.000 0.288 45 T C -0.425 174.104 174.700 -0.285 0.000 1.045 45 T CA -0.862 61.079 62.100 -0.266 0.000 1.018 45 T CB 1.575 70.231 68.868 -0.354 0.000 1.151 45 T HN 0.220 8.460 8.240 0.000 0.000 0.529 46 V N 2.356 122.105 119.914 -0.275 0.000 2.370 46 V HA 0.376 4.493 4.120 -0.005 0.000 0.283 46 V C 0.298 176.279 176.094 -0.189 0.000 1.023 46 V CA -0.499 61.641 62.300 -0.266 0.000 0.857 46 V CB 0.632 32.310 31.823 -0.242 0.000 0.985 46 V HN 1.065 9.255 8.190 0.000 0.000 0.443 47 E N 4.677 124.757 120.200 -0.201 0.000 2.539 47 E HA -0.266 4.081 4.350 -0.005 0.000 0.253 47 E C 0.677 177.303 176.600 0.044 0.000 1.145 47 E CA 1.118 57.473 56.400 -0.074 0.000 0.738 47 E CB -1.265 28.440 29.700 0.008 0.000 1.308 47 E HN 1.043 9.403 8.360 0.000 0.000 0.409 48 H N -3.428 115.626 119.070 -0.028 0.000 3.237 48 H HA -0.212 4.341 4.556 -0.005 0.000 0.231 48 H C 0.271 175.522 175.328 -0.128 0.000 1.148 48 H CA 1.075 57.122 56.048 -0.000 0.000 1.155 48 H CB -1.217 28.607 29.762 0.102 0.000 1.210 48 H HN 0.074 8.354 8.280 0.000 0.000 0.317 49 L N 2.499 123.678 121.223 -0.074 0.000 2.315 49 L HA 0.096 4.433 4.340 -0.005 0.000 0.283 49 L C -0.900 175.850 176.870 -0.201 0.000 1.089 49 L CA -1.054 53.720 54.840 -0.109 0.000 0.833 49 L CB 0.673 42.676 42.059 -0.095 0.000 1.170 49 L HN -0.072 8.158 8.230 0.000 0.000 0.442 50 P HA -0.119 4.301 4.420 0.000 0.000 0.221 50 P C 0.548 177.708 177.300 -0.232 0.000 1.145 50 P CA 0.970 63.947 63.100 -0.204 0.000 0.795 50 P CB 0.229 31.854 31.700 -0.126 0.000 0.775 51 D N -1.422 118.768 120.400 -0.351 0.000 2.388 51 D HA 0.173 4.810 4.640 -0.005 0.000 0.221 51 D C 0.492 176.502 176.300 -0.484 0.000 1.133 51 D CA -0.317 53.213 54.000 -0.784 0.000 0.831 51 D CB -0.210 39.849 40.800 -1.236 0.000 0.962 51 D HN 0.043 8.413 8.370 0.000 0.000 0.502 52 A N 1.135 123.802 122.820 -0.256 0.000 2.956 52 A HA 0.429 4.745 4.320 -0.005 0.000 0.294 52 A C -2.691 174.787 177.584 -0.177 0.000 0.993 52 A CA -1.075 50.868 52.037 -0.157 0.000 1.032 52 A CB 0.274 19.200 19.000 -0.124 0.000 1.129 52 A HN -0.017 8.133 8.150 0.000 0.000 0.505 53 P HA 0.201 4.621 4.420 0.000 0.000 0.282 53 P C 0.502 177.708 177.300 -0.157 0.000 1.274 53 P CA 0.179 63.194 63.100 -0.142 0.000 0.770 53 P CB 1.735 33.391 31.700 -0.072 0.000 0.867 54 V N 2.529 122.291 119.914 -0.254 0.000 3.604 54 V HA 0.513 4.629 4.120 -0.005 0.000 0.277 54 V C 0.588 176.558 176.094 -0.207 0.000 1.399 54 V CA 1.195 63.296 62.300 -0.332 0.000 1.034 54 V CB 0.219 31.551 31.823 -0.819 0.000 0.824 54 V HN 0.720 8.910 8.190 0.000 0.000 0.439 55 G N -0.752 107.961 108.800 -0.145 0.000 2.635 55 G HA2 0.530 4.487 3.960 -0.005 0.000 0.194 55 G HA3 0.530 4.487 3.960 -0.005 0.000 0.194 55 G C -1.209 173.674 174.900 -0.029 0.000 1.198 55 G CA 0.367 45.429 45.100 -0.064 0.000 0.972 55 G HN 0.243 8.533 8.290 0.000 0.000 0.520 56 S N -1.375 114.331 115.700 0.011 0.000 2.542 56 S HA 0.505 4.972 4.470 -0.005 0.000 0.276 56 S C -0.955 173.661 174.600 0.028 0.000 1.148 56 S CA -0.438 57.779 58.200 0.028 0.000 0.886 56 S CB 1.611 64.853 63.200 0.071 0.000 1.109 56 S HN 1.013 9.323 8.310 0.000 0.000 0.458 57 V N 4.712 124.604 119.914 -0.038 0.000 2.432 57 V HA 0.327 4.444 4.120 -0.005 0.000 0.271 57 V C 0.242 176.301 176.094 -0.057 0.000 1.046 57 V CA -0.245 61.964 62.300 -0.152 0.000 0.945 57 V CB -0.183 31.535 31.823 -0.174 0.000 0.992 57 V HN 0.835 9.025 8.190 0.000 0.000 0.471 58 F N 1.597 121.562 119.950 0.024 0.000 2.730 58 F HA 0.820 5.344 4.527 -0.005 0.000 0.295 58 F C 0.698 176.507 175.800 0.015 0.000 1.143 58 F CA -0.945 57.076 58.000 0.035 0.000 1.367 58 F CB 0.002 39.049 39.000 0.077 0.000 0.970 58 F HN 0.699 8.999 8.300 0.000 0.000 0.514 59 G N 0.383 109.123 108.800 -0.100 0.000 2.307 59 G HA2 0.343 4.300 3.960 -0.005 0.000 0.348 59 G HA3 0.343 4.300 3.960 -0.005 0.000 0.348 59 G C -2.213 172.354 174.900 -0.556 0.000 1.603 59 G CA -1.191 43.738 45.100 -0.284 0.000 0.961 59 G HN 0.326 8.616 8.290 0.000 0.000 0.686 60 L N 0.572 121.320 121.223 -0.793 0.000 2.388 60 L HA 0.819 5.155 4.340 -0.005 0.000 0.264 60 L C -0.862 175.552 176.870 -0.761 0.000 0.998 60 L CA -1.049 53.457 54.840 -0.557 0.000 0.817 60 L CB 2.349 44.256 42.059 -0.253 0.000 1.338 60 L HN 0.686 8.916 8.230 0.000 0.000 0.414 61 Y N -0.325 119.993 120.300 0.030 0.000 2.615 61 Y HA 0.540 5.086 4.550 -0.005 0.000 0.341 61 Y C -0.484 175.445 175.900 0.049 0.000 1.089 61 Y CA -1.103 57.016 58.100 0.031 0.000 1.049 61 Y CB 1.278 39.738 38.460 -0.000 0.000 1.296 61 Y HN 0.334 8.614 8.280 0.000 0.000 0.470 62 Q N 0.800 120.720 119.800 0.200 0.000 2.226 62 Q HA 0.672 5.009 4.340 -0.005 0.000 0.256 62 Q C -0.819 175.257 176.000 0.126 0.000 0.962 62 Q CA -0.486 55.403 55.803 0.144 0.000 0.887 62 Q CB 2.303 31.099 28.738 0.097 0.000 1.282 62 Q HN 0.748 9.018 8.270 0.000 0.000 0.449 63 S N -0.674 115.104 115.700 0.130 0.000 2.579 63 S HA 0.220 4.687 4.470 -0.005 0.000 0.272 63 S C 0.585 175.232 174.600 0.078 0.000 1.141 63 S CA -0.193 58.073 58.200 0.110 0.000 0.843 63 S CB 1.609 64.923 63.200 0.191 0.000 1.122 63 S HN 0.546 8.856 8.310 0.000 0.000 0.468 64 S N 1.625 117.354 115.700 0.048 0.000 2.465 64 S HA -0.042 4.425 4.470 -0.005 0.000 0.241 64 S C 1.550 176.156 174.600 0.009 0.000 1.000 64 S CA 1.720 59.933 58.200 0.023 0.000 0.964 64 S CB -0.567 62.640 63.200 0.011 0.000 0.763 64 S HN 0.877 9.187 8.310 0.000 0.000 0.512 65 A N -0.459 122.370 122.820 0.015 0.000 2.014 65 A HA 0.647 4.964 4.320 -0.005 0.000 0.210 65 A C 1.161 178.707 177.584 -0.063 0.000 1.188 65 A CA 0.796 52.794 52.037 -0.065 0.000 0.731 65 A CB -0.197 18.707 19.000 -0.161 0.000 0.858 65 A HN 0.910 9.060 8.150 0.000 0.000 0.464 66 G N -1.714 107.134 108.800 0.081 0.000 2.345 66 G HA2 0.399 4.356 3.960 -0.005 0.000 0.285 66 G HA3 0.399 4.356 3.960 -0.005 0.000 0.285 66 G C -1.714 173.347 174.900 0.269 0.000 1.297 66 G CA -0.287 44.891 45.100 0.130 0.000 0.875 66 G HN 0.701 8.991 8.290 0.000 0.000 0.506 67 L N 0.400 121.756 121.223 0.222 0.000 2.305 67 L HA 0.840 5.177 4.340 -0.005 0.000 0.281 67 L C -0.792 176.183 176.870 0.175 0.000 1.085 67 L CA -0.881 54.062 54.840 0.172 0.000 0.813 67 L CB 0.703 42.799 42.059 0.061 0.000 1.157 67 L HN 0.503 8.733 8.230 0.000 0.000 0.436 68 F N 3.704 123.605 119.950 -0.081 0.000 2.480 68 F HA 0.661 5.185 4.527 -0.005 0.000 0.329 68 F C -0.151 175.510 175.800 -0.231 0.000 1.091 68 F CA -0.259 57.537 58.000 -0.340 0.000 0.972 68 F CB 1.795 40.508 39.000 -0.478 0.000 1.150 68 F HN 0.619 8.919 8.300 0.000 0.000 0.467 69 S N 4.028 119.312 115.700 -0.693 0.000 2.519 69 S HA 0.884 5.351 4.470 -0.005 0.000 0.309 69 S C -0.892 173.404 174.600 -0.506 0.000 1.100 69 S CA -0.743 57.176 58.200 -0.468 0.000 1.059 69 S CB 1.506 64.426 63.200 -0.466 0.000 1.008 69 S HN 0.938 9.248 8.310 0.000 0.000 0.478 70 A N 2.165 124.783 122.820 -0.336 0.000 2.304 70 A HA 0.939 5.256 4.320 -0.005 0.000 0.314 70 A C -0.025 176.976 177.584 -0.971 0.000 1.187 70 A CA -0.561 51.179 52.037 -0.496 0.000 0.810 70 A CB 0.814 19.640 19.000 -0.289 0.000 1.183 70 A HN 1.593 9.743 8.150 0.000 0.000 0.487 71 A N 1.270 123.710 122.820 -0.633 0.000 2.524 71 A HA 0.963 5.280 4.320 -0.005 0.000 0.286 71 A C -0.328 177.318 177.584 0.104 0.000 1.203 71 A CA -0.308 51.491 52.037 -0.396 0.000 0.736 71 A CB 1.444 20.301 19.000 -0.238 0.000 1.322 71 A HN 1.669 9.819 8.150 0.000 0.000 0.424 72 S N -0.663 115.166 115.700 0.215 0.000 2.536 72 S HA 0.636 5.103 4.470 -0.005 0.000 0.271 72 S C -1.450 173.206 174.600 0.094 0.000 1.134 72 S CA -0.457 57.905 58.200 0.270 0.000 0.897 72 S CB 0.658 64.109 63.200 0.419 0.000 1.094 72 S HN 0.567 8.877 8.310 0.000 0.000 0.473 73 I N 3.867 124.463 120.570 0.044 0.000 2.321 73 I HA 0.322 4.489 4.170 -0.005 0.000 0.291 73 I C 1.020 177.145 176.117 0.014 0.000 0.998 73 I CA -0.332 60.971 61.300 0.005 0.000 1.227 73 I CB 1.809 39.831 38.000 0.037 0.000 1.368 73 I HN 0.866 9.076 8.210 0.000 0.000 0.466 74 T N -0.452 114.108 114.554 0.011 0.000 3.058 74 T HA 0.069 4.416 4.350 -0.005 0.000 0.278 74 T C 0.654 175.380 174.700 0.043 0.000 0.974 74 T CA -0.325 61.790 62.100 0.025 0.000 0.893 74 T CB 0.241 69.123 68.868 0.022 0.000 1.138 74 T HN 0.407 8.647 8.240 0.000 0.000 0.529 75 S N 1.420 117.151 115.700 0.051 0.000 2.429 75 S HA 0.442 4.909 4.470 -0.005 0.000 0.292 75 S C 1.822 176.506 174.600 0.139 0.000 1.183 75 S CA -0.003 58.248 58.200 0.085 0.000 1.088 75 S CB -0.036 63.210 63.200 0.077 0.000 1.018 75 S HN 0.525 8.835 8.310 0.000 0.000 0.511 76 G N 3.863 112.722 108.800 0.099 0.000 2.469 76 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.219 76 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.219 76 G C 1.065 176.032 174.900 0.111 0.000 1.150 76 G CA 0.924 46.079 45.100 0.092 0.000 0.763 76 G HN 0.774 9.064 8.290 0.000 0.000 0.561 77 D N -0.451 120.023 120.400 0.124 0.000 2.264 77 D HA -0.063 4.574 4.640 -0.005 0.000 0.208 77 D C 1.807 178.215 176.300 0.180 0.000 0.966 77 D CA 0.513 54.589 54.000 0.128 0.000 0.864 77 D CB -0.055 40.819 40.800 0.123 0.000 0.933 77 D HN 0.436 8.806 8.370 0.000 0.000 0.499 78 F N 0.953 120.943 119.950 0.068 0.000 2.530 78 F HA 0.119 4.643 4.527 -0.004 0.000 0.292 78 F C 1.993 177.849 175.800 0.093 0.000 1.109 78 F CA 0.216 58.273 58.000 0.096 0.000 1.450 78 F CB 0.058 39.101 39.000 0.072 0.000 1.114 78 F HN -0.208 8.092 8.300 0.000 0.000 0.560 79 L N -0.810 120.548 121.223 0.225 0.000 2.141 79 L HA -0.125 4.212 4.340 -0.005 0.000 0.209 79 L C 2.461 179.342 176.870 0.018 0.000 1.094 79 L CA 1.382 56.294 54.840 0.120 0.000 0.763 79 L CB -0.974 41.158 42.059 0.121 0.000 0.908 79 L HN 0.191 8.421 8.230 0.000 0.000 0.437 80 S N -0.169 115.544 115.700 0.021 0.000 2.528 80 S HA -0.020 4.447 4.470 -0.005 0.000 0.219 80 S C 1.702 176.283 174.600 -0.032 0.000 0.985 80 S CA 0.097 58.302 58.200 0.007 0.000 0.914 80 S CB 0.079 63.294 63.200 0.025 0.000 0.776 80 S HN 0.284 8.594 8.310 0.000 0.000 0.526 81 L N 1.284 122.452 121.223 -0.091 0.000 2.209 81 L HA 0.357 4.694 4.340 -0.005 0.000 0.207 81 L C 1.714 178.459 176.870 -0.208 0.000 1.094 81 L CA 1.527 56.275 54.840 -0.153 0.000 0.790 81 L CB -0.479 41.468 42.059 -0.186 0.000 0.932 81 L HN 0.339 8.569 8.230 0.000 0.000 0.447 82 L N -0.769 120.317 121.223 -0.228 0.000 2.376 82 L HA -0.095 4.242 4.340 -0.005 0.000 0.219 82 L C 2.088 178.899 176.870 -0.098 0.000 1.133 82 L CA 0.706 55.445 54.840 -0.168 0.000 0.816 82 L CB -0.604 41.364 42.059 -0.152 0.000 0.933 82 L HN 0.358 8.588 8.230 0.000 0.000 0.449 83 D N -0.240 120.128 120.400 -0.053 0.000 2.106 83 D HA -0.107 4.530 4.640 -0.005 0.000 0.203 83 D C 2.125 178.488 176.300 0.105 0.000 0.977 83 D CA 1.222 55.249 54.000 0.045 0.000 0.844 83 D CB 0.405 41.245 40.800 0.066 0.000 1.002 83 D HN 0.142 8.512 8.370 0.000 0.000 0.461 84 S N 0.935 116.665 115.700 0.051 0.000 2.363 84 S HA -0.169 4.298 4.470 -0.005 0.000 0.218 84 S C 2.261 176.863 174.600 0.003 0.000 1.035 84 S CA 0.918 59.153 58.200 0.058 0.000 1.043 84 S CB -0.537 62.651 63.200 -0.021 0.000 0.986 84 S HN 0.305 8.615 8.310 0.000 0.000 0.423 85 I N 0.450 120.953 120.570 -0.113 0.000 2.227 85 I HA -0.320 3.847 4.170 -0.005 0.000 0.250 85 I C 2.280 178.317 176.117 -0.133 0.000 1.087 85 I CA 1.866 63.055 61.300 -0.185 0.000 1.352 85 I CB -0.501 37.296 38.000 -0.337 0.000 1.043 85 I HN 0.321 8.531 8.210 0.000 0.000 0.425 86 Y N 1.673 121.792 120.300 -0.301 0.000 2.181 86 Y HA -0.251 4.297 4.550 -0.004 0.000 0.288 86 Y C 2.350 177.987 175.900 -0.438 0.000 1.146 86 Y CA 1.830 59.685 58.100 -0.409 0.000 1.164 86 Y CB -0.590 37.549 38.460 -0.536 0.000 0.982 86 Y HN 0.319 8.599 8.280 0.000 0.000 0.515 87 H N -1.240 117.707 119.070 -0.205 0.000 2.543 87 H HA 0.106 4.659 4.556 -0.006 0.000 0.269 87 H C 0.636 175.840 175.328 -0.207 0.000 1.005 87 H CA 0.843 56.727 56.048 -0.275 0.000 1.146 87 H CB 0.120 29.800 29.762 -0.137 0.000 1.353 87 H HN 0.312 8.592 8.280 0.000 0.000 0.595 88 D N -0.932 119.385 120.400 -0.138 0.000 2.520 88 D HA 0.080 4.717 4.640 -0.005 0.000 0.223 88 D C -0.342 175.876 176.300 -0.136 0.000 1.186 88 D CA 0.138 54.072 54.000 -0.110 0.000 0.821 88 D CB 0.399 41.147 40.800 -0.087 0.000 1.072 88 D HN 0.217 8.587 8.370 0.000 0.000 0.518 89 C N 2.621 121.814 119.300 -0.178 0.000 2.258 89 C HA 0.182 4.639 4.460 -0.005 0.000 0.321 89 C C 1.500 176.410 174.990 -0.135 0.000 1.168 89 C CA -0.721 58.215 59.018 -0.136 0.000 1.531 89 C CB -0.355 27.322 27.740 -0.106 0.000 2.095 89 C HN 0.160 8.390 8.230 0.000 0.000 0.449 90 D N 2.850 123.190 120.400 -0.100 0.000 2.149 90 D HA -0.136 4.501 4.640 -0.005 0.000 0.198 90 D C 1.912 178.188 176.300 -0.041 0.000 0.990 90 D CA 1.277 55.229 54.000 -0.081 0.000 0.839 90 D CB 0.190 40.957 40.800 -0.055 0.000 0.948 90 D HN 0.543 8.913 8.370 0.000 0.000 0.460 91 I N 1.177 121.737 120.570 -0.017 0.000 2.394 91 I HA -0.153 4.014 4.170 -0.005 0.000 0.251 91 I C 2.372 178.525 176.117 0.059 0.000 1.136 91 I CA 0.473 61.786 61.300 0.022 0.000 1.425 91 I CB -0.780 37.238 38.000 0.030 0.000 1.079 91 I HN -0.126 8.084 8.210 0.000 0.000 0.425 92 A N 0.276 123.134 122.820 0.064 0.000 1.874 92 A HA -0.184 4.132 4.320 -0.005 0.000 0.214 92 A C 2.174 179.931 177.584 0.290 0.000 1.189 92 A CA 0.916 53.058 52.037 0.175 0.000 0.615 92 A CB -0.491 18.649 19.000 0.232 0.000 0.830 92 A HN 0.458 8.608 8.150 0.000 0.000 0.443 93 Q N 0.874 120.710 119.800 0.060 0.000 2.061 93 Q HA -0.093 4.244 4.340 -0.005 0.000 0.204 93 Q C 1.150 177.202 176.000 0.085 0.000 0.984 93 Q CA 1.204 56.979 55.803 -0.047 0.000 0.846 93 Q CB -0.504 28.042 28.738 -0.321 0.000 0.902 93 Q HN 0.689 8.959 8.270 0.000 0.000 0.421 94 S N 0.800 116.528 115.700 0.046 0.000 2.528 94 S HA 0.192 4.659 4.470 -0.005 0.000 0.277 94 S C -0.377 174.275 174.600 0.087 0.000 1.297 94 S CA -0.673 57.560 58.200 0.055 0.000 1.052 94 S CB 1.081 64.299 63.200 0.030 0.000 0.917 94 S HN 0.112 8.422 8.310 0.000 0.000 0.492 95 Q N 1.395 121.251 119.800 0.092 0.000 2.226 95 Q HA 0.398 4.735 4.340 -0.005 0.000 0.256 95 Q C 1.081 177.127 176.000 0.077 0.000 0.962 95 Q CA -0.885 54.982 55.803 0.106 0.000 0.887 95 Q CB 1.458 30.276 28.738 0.133 0.000 1.282 95 Q HN 0.857 9.127 8.270 0.000 0.000 0.449 96 R N 1.506 122.051 120.500 0.074 0.000 2.115 96 R HA 0.045 4.382 4.340 -0.005 0.000 0.226 96 R C -0.206 176.119 176.300 0.042 0.000 1.100 96 R CA 0.997 57.129 56.100 0.053 0.000 0.980 96 R CB 0.337 30.668 30.300 0.051 0.000 0.875 96 R HN 0.526 8.796 8.270 0.000 0.000 0.445 97 L N 1.201 122.451 121.223 0.044 0.000 2.393 97 L HA 0.476 4.813 4.340 -0.005 0.000 0.260 97 L C -2.390 174.507 176.870 0.044 0.000 1.002 97 L CA -2.698 52.161 54.840 0.031 0.000 0.818 97 L CB 2.439 44.505 42.059 0.012 0.000 1.369 97 L HN 0.023 8.253 8.230 0.000 0.000 0.412 98 P HA 0.199 4.619 4.420 0.000 0.000 0.264 98 P C -1.306 176.026 177.300 0.054 0.000 1.229 98 P CA 0.365 63.495 63.100 0.051 0.000 0.780 98 P CB 0.362 32.084 31.700 0.037 0.000 0.808 99 L N 5.348 126.632 121.223 0.102 0.000 2.466 99 L HA 0.441 4.778 4.340 -0.005 0.000 0.258 99 L C -2.547 174.455 176.870 0.220 0.000 0.973 99 L CA -2.912 52.009 54.840 0.134 0.000 0.826 99 L CB 2.417 44.526 42.059 0.084 0.000 1.372 99 L HN 0.037 8.267 8.230 0.000 0.000 0.409 100 P HA 0.004 4.424 4.420 0.000 0.000 0.258 100 P C -0.422 176.950 177.300 0.120 0.000 1.187 100 P CA -0.018 63.164 63.100 0.137 0.000 0.767 100 P CB 0.286 32.039 31.700 0.089 0.000 0.770 101 R N 3.506 124.041 120.500 0.059 0.000 2.474 101 R HA -0.113 4.224 4.340 -0.005 0.000 0.275 101 R C 0.210 176.410 176.300 -0.166 0.000 0.945 101 R CA 1.116 57.210 56.100 -0.010 0.000 1.115 101 R CB 0.090 30.419 30.300 0.047 0.000 0.874 101 R HN 0.439 8.709 8.270 0.000 0.000 0.421 102 E N 5.167 125.148 120.200 -0.366 0.000 3.074 102 E HA 0.138 4.485 4.350 -0.005 0.000 0.287 102 E C -2.187 174.021 176.600 -0.653 0.000 1.194 102 E CA -1.619 54.492 56.400 -0.483 0.000 0.836 102 E CB 1.553 30.833 29.700 -0.699 0.000 1.468 102 E HN 0.517 8.877 8.360 0.000 0.000 0.383 103 P HA -0.293 4.127 4.420 0.000 0.000 0.228 103 P C 1.182 178.097 177.300 -0.641 0.000 0.821 103 P CA 1.597 64.072 63.100 -1.042 0.000 1.093 103 P CB 0.282 31.733 31.700 -0.415 0.000 0.688 104 K N -0.812 119.399 120.400 -0.315 0.000 2.148 104 K HA -0.202 4.115 4.320 -0.005 0.000 0.213 104 K C 1.923 178.430 176.600 -0.155 0.000 1.050 104 K CA 1.944 58.127 56.287 -0.173 0.000 0.932 104 K CB -1.302 31.150 32.500 -0.079 0.000 0.717 104 K HN 0.052 8.302 8.250 0.000 0.000 0.462 105 V N 1.785 121.593 119.914 -0.177 0.000 2.379 105 V HA -0.181 3.935 4.120 -0.005 0.000 0.245 105 V C 2.212 178.256 176.094 -0.084 0.000 1.044 105 V CA 1.640 63.887 62.300 -0.087 0.000 1.036 105 V CB -0.355 31.411 31.823 -0.095 0.000 0.664 105 V HN 0.304 8.494 8.190 0.000 0.000 0.453 106 E N 0.537 120.579 120.200 -0.263 0.000 2.110 106 E HA -0.197 4.150 4.350 -0.005 0.000 0.193 106 E C 2.319 178.917 176.600 -0.004 0.000 0.988 106 E CA 1.459 57.762 56.400 -0.162 0.000 0.804 106 E CB -0.311 29.227 29.700 -0.271 0.000 0.745 106 E HN 0.594 8.954 8.360 0.000 0.000 0.458 107 A N 1.426 124.215 122.820 -0.052 0.000 1.898 107 A HA -0.101 4.216 4.320 -0.005 0.000 0.216 107 A C 2.348 179.991 177.584 0.098 0.000 1.181 107 A CA 0.794 52.861 52.037 0.050 0.000 0.620 107 A CB -0.667 18.338 19.000 0.009 0.000 0.819 107 A HN 0.123 8.273 8.150 0.000 0.000 0.442 108 L N -1.386 119.802 121.223 -0.058 0.000 2.042 108 L HA -0.241 4.096 4.340 -0.005 0.000 0.210 108 L C 2.500 179.185 176.870 -0.309 0.000 1.076 108 L CA 1.726 56.355 54.840 -0.352 0.000 0.749 108 L CB -0.655 40.800 42.059 -1.008 0.000 0.893 108 L HN 0.470 8.700 8.230 0.000 0.000 0.432 109 H N -1.198 117.776 119.070 -0.161 0.000 2.521 109 H HA -0.013 4.540 4.556 -0.006 0.000 0.286 109 H C 1.950 177.332 175.328 0.090 0.000 1.034 109 H CA 1.031 57.104 56.048 0.042 0.000 1.278 109 H CB 0.099 29.930 29.762 0.114 0.000 1.386 109 H HN 0.354 8.634 8.280 0.000 0.000 0.567 110 A N -0.914 122.023 122.820 0.195 0.000 2.014 110 A HA -0.015 4.302 4.320 -0.005 0.000 0.210 110 A C 1.779 179.496 177.584 0.221 0.000 1.188 110 A CA 0.238 52.381 52.037 0.177 0.000 0.731 110 A CB -0.348 18.738 19.000 0.143 0.000 0.858 110 A HN 0.471 8.621 8.150 0.000 0.000 0.464 111 W N 0.377 121.674 121.300 -0.005 0.000 2.587 111 W HA 0.307 4.966 4.660 -0.002 0.000 0.307 111 W C 0.084 176.609 176.519 0.010 0.000 1.138 111 W CA 0.968 58.310 57.345 -0.005 0.000 1.450 111 W CB -0.239 29.202 29.460 -0.031 0.000 1.149 111 W HN 0.038 8.218 8.180 0.000 0.000 0.512 112 L N 2.373 123.583 121.223 -0.022 0.000 2.637 112 L HA 0.228 4.565 4.340 -0.005 0.000 0.241 112 L C -1.483 175.372 176.870 -0.024 0.000 1.398 112 L CA -1.304 53.441 54.840 -0.158 0.000 0.895 112 L CB 1.355 43.168 42.059 -0.411 0.000 1.183 112 L HN -0.186 8.044 8.230 0.000 0.000 0.497 113 P HA -0.043 4.377 4.420 0.000 0.000 0.217 113 P C 0.653 177.985 177.300 0.054 0.000 1.151 113 P CA 0.747 63.888 63.100 0.069 0.000 0.828 113 P CB 0.463 32.210 31.700 0.078 0.000 0.788 114 S N -0.348 115.363 115.700 0.018 0.000 2.681 114 S HA 0.444 4.911 4.470 -0.005 0.000 0.270 114 S C 0.294 174.849 174.600 -0.074 0.000 1.209 114 S CA -0.484 57.702 58.200 -0.022 0.000 0.988 114 S CB 0.397 63.595 63.200 -0.003 0.000 1.006 114 S HN -0.050 8.260 8.310 0.000 0.000 0.558 115 L N 1.073 122.233 121.223 -0.106 0.000 2.342 115 L HA 0.645 4.982 4.340 -0.005 0.000 0.271 115 L C -0.244 176.551 176.870 -0.126 0.000 1.008 115 L CA -0.400 54.345 54.840 -0.158 0.000 0.818 115 L CB 2.061 43.986 42.059 -0.224 0.000 1.296 115 L HN 0.536 8.766 8.230 0.000 0.000 0.427 116 S N 2.501 118.111 115.700 -0.150 0.000 2.672 116 S HA 0.539 5.006 4.470 -0.005 0.000 0.291 116 S C -1.332 173.193 174.600 -0.124 0.000 1.145 116 S CA -0.496 57.656 58.200 -0.080 0.000 1.013 116 S CB 1.239 64.463 63.200 0.040 0.000 1.017 116 S HN 0.393 8.703 8.310 0.000 0.000 0.487 117 L N 5.388 126.522 121.223 -0.149 0.000 2.255 117 L HA 0.804 5.141 4.340 -0.005 0.000 0.289 117 L C -0.023 176.714 176.870 -0.221 0.000 1.046 117 L CA -0.105 54.574 54.840 -0.268 0.000 0.816 117 L CB 0.534 42.373 42.059 -0.367 0.000 1.197 117 L HN 0.752 8.982 8.230 0.000 0.000 0.427 118 A N 3.669 126.306 122.820 -0.305 0.000 2.317 118 A HA 0.865 5.182 4.320 -0.005 0.000 0.327 118 A C -0.446 177.000 177.584 -0.230 0.000 1.178 118 A CA -0.428 51.443 52.037 -0.277 0.000 0.817 118 A CB 0.802 19.537 19.000 -0.441 0.000 1.189 118 A HN 0.697 8.847 8.150 0.000 0.000 0.489 119 S N 1.121 116.738 115.700 -0.139 0.000 2.536 119 S HA 0.550 5.017 4.470 -0.005 0.000 0.287 119 S C -0.719 173.656 174.600 -0.374 0.000 1.101 119 S CA -0.488 57.655 58.200 -0.095 0.000 0.950 119 S CB 1.281 64.532 63.200 0.086 0.000 1.056 119 S HN 0.604 8.914 8.310 0.000 0.000 0.481 120 L N 4.281 125.388 121.223 -0.194 0.000 2.290 120 L HA 0.410 4.747 4.340 -0.005 0.000 0.284 120 L C -0.265 176.490 176.870 -0.191 0.000 1.078 120 L CA -0.242 54.495 54.840 -0.171 0.000 0.815 120 L CB 0.303 42.336 42.059 -0.045 0.000 1.162 120 L HN 0.604 8.834 8.230 0.000 0.000 0.435 121 H N 2.679 121.806 119.070 0.096 0.000 2.621 121 H HA 0.477 5.029 4.556 -0.005 0.000 0.360 121 H C -2.035 173.325 175.328 0.053 0.000 1.163 121 H CA -2.161 53.943 56.048 0.094 0.000 1.194 121 H CB 1.246 31.048 29.762 0.067 0.000 1.649 121 H HN 0.395 8.675 8.280 0.000 0.000 0.532 122 P HA -0.008 4.412 4.420 0.000 0.000 0.272 122 P C 1.034 178.378 177.300 0.074 0.000 1.230 122 P CA -0.293 62.866 63.100 0.098 0.000 0.788 122 P CB 1.147 32.903 31.700 0.094 0.000 0.949 123 D N 0.830 121.254 120.400 0.040 0.000 2.092 123 D HA -0.109 4.528 4.640 -0.005 0.000 0.193 123 D C 0.459 176.774 176.300 0.024 0.000 0.994 123 D CA 1.121 55.138 54.000 0.028 0.000 0.828 123 D CB 0.183 40.992 40.800 0.014 0.000 0.963 123 D HN 0.278 8.648 8.370 0.000 0.000 0.450 124 I N -0.454 120.129 120.570 0.022 0.000 2.797 124 I HA 0.284 4.451 4.170 -0.005 0.000 0.307 124 I C -2.391 173.738 176.117 0.020 0.000 1.033 124 I CA -2.698 58.611 61.300 0.015 0.000 1.071 124 I CB 2.144 40.150 38.000 0.010 0.000 1.255 124 I HN -0.278 7.932 8.210 0.000 0.000 0.445 125 P HA -0.019 4.401 4.420 0.000 0.000 0.256 125 P C -0.551 176.762 177.300 0.021 0.000 1.173 125 P CA 0.370 63.478 63.100 0.013 0.000 0.768 125 P CB 0.408 32.109 31.700 0.002 0.000 0.758 126 Q N 1.446 121.267 119.800 0.036 0.000 2.388 126 Q HA 0.104 4.441 4.340 -0.005 0.000 0.204 126 Q C 0.225 176.250 176.000 0.041 0.000 0.946 126 Q CA 1.439 57.267 55.803 0.042 0.000 0.880 126 Q CB 0.396 29.170 28.738 0.061 0.000 0.997 126 Q HN 0.327 8.597 8.270 0.000 0.000 0.552 127 T N 0.890 115.473 114.554 0.048 0.000 3.428 127 T HA 0.202 4.549 4.350 -0.005 0.000 0.301 127 T C -0.655 174.054 174.700 0.016 0.000 1.323 127 T CA -0.241 61.879 62.100 0.033 0.000 1.647 127 T CB 0.778 69.674 68.868 0.046 0.000 0.871 127 T HN -0.148 8.092 8.240 0.000 0.000 0.627 128 T N 3.131 117.689 114.554 0.007 0.000 3.462 128 T HA 0.210 4.556 4.350 -0.005 0.000 0.257 128 T C 1.544 176.240 174.700 -0.008 0.000 1.015 128 T CA -0.207 61.891 62.100 -0.004 0.000 1.135 128 T CB -0.354 68.510 68.868 -0.006 0.000 1.061 128 T HN 0.655 8.895 8.240 0.000 0.000 0.772 129 A N 3.139 125.951 122.820 -0.013 0.000 2.114 129 A HA -0.059 4.257 4.320 -0.005 0.000 0.201 129 A C 1.248 178.821 177.584 -0.018 0.000 1.386 129 A CA 0.063 52.090 52.037 -0.018 0.000 1.090 129 A CB -0.700 18.281 19.000 -0.032 0.000 0.736 129 A HN 0.801 8.951 8.150 0.000 0.000 0.535 130 D N -2.421 117.971 120.400 -0.014 0.000 2.782 130 D HA -0.224 4.412 4.640 -0.005 0.000 0.230 130 D C 0.916 177.206 176.300 -0.017 0.000 1.165 130 D CA 1.513 55.505 54.000 -0.013 0.000 0.664 130 D CB -1.128 39.666 40.800 -0.010 0.000 1.056 130 D HN 0.742 9.112 8.370 0.000 0.000 0.423 131 G N -1.245 107.541 108.800 -0.023 0.000 3.873 131 G HA2 0.490 4.447 3.960 -0.005 0.000 0.232 131 G HA3 0.490 4.447 3.960 -0.005 0.000 0.232 131 G C 0.517 175.397 174.900 -0.033 0.000 1.097 131 G CA 0.652 45.736 45.100 -0.027 0.000 0.889 131 G HN 0.700 8.990 8.290 0.000 0.000 0.532 132 G N -0.088 108.693 108.800 -0.031 0.000 2.356 132 G HA2 0.310 4.267 3.960 -0.005 0.000 0.300 132 G HA3 0.310 4.267 3.960 -0.005 0.000 0.300 132 G C -1.479 173.403 174.900 -0.031 0.000 1.331 132 G CA -1.049 44.031 45.100 -0.033 0.000 0.905 132 G HN 0.268 8.558 8.290 0.000 0.000 0.587 133 K N -0.546 119.838 120.400 -0.027 0.000 2.144 133 K HA 0.586 4.903 4.320 -0.005 0.000 0.270 133 K C -0.435 176.154 176.600 -0.019 0.000 1.005 133 K CA -0.689 55.589 56.287 -0.016 0.000 0.932 133 K CB 1.986 34.477 32.500 -0.014 0.000 1.021 133 K HN 0.339 8.589 8.250 0.000 0.000 0.462 134 L N 1.398 122.630 121.223 0.015 0.000 2.305 134 L HA 0.266 4.603 4.340 -0.005 0.000 0.281 134 L C -0.907 176.044 176.870 0.136 0.000 1.085 134 L CA 0.760 55.617 54.840 0.027 0.000 0.813 134 L CB 1.062 43.181 42.059 0.100 0.000 1.157 134 L HN 0.560 8.790 8.230 0.000 0.000 0.436 135 S N 3.822 119.535 115.700 0.021 0.000 2.542 135 S HA 0.601 5.068 4.470 -0.005 0.000 0.276 135 S C -1.436 173.072 174.600 -0.153 0.000 1.148 135 S CA -0.460 57.827 58.200 0.146 0.000 0.886 135 S CB 1.015 64.349 63.200 0.223 0.000 1.109 135 S HN 0.274 8.584 8.310 0.000 0.000 0.458 136 F N 1.761 121.648 119.950 -0.105 0.000 2.427 136 F HA 0.493 5.017 4.527 -0.005 0.000 0.348 136 F C -0.182 175.639 175.800 0.036 0.000 1.125 136 F CA -0.984 56.957 58.000 -0.098 0.000 0.989 136 F CB 0.690 39.656 39.000 -0.056 0.000 1.165 136 F HN 0.510 8.810 8.300 0.000 0.000 0.442 137 F N 4.217 124.179 119.950 0.020 0.000 2.494 137 F HA 0.071 4.595 4.527 -0.005 0.000 0.369 137 F C 1.124 176.925 175.800 0.002 0.000 1.098 137 F CA -0.427 57.553 58.000 -0.033 0.000 1.154 137 F CB 0.731 39.694 39.000 -0.062 0.000 1.103 137 F HN 0.576 8.876 8.300 0.000 0.000 0.549 138 D N 2.169 122.659 120.400 0.150 0.000 2.380 138 D HA -0.013 4.624 4.640 -0.005 0.000 0.212 138 D C 0.304 176.701 176.300 0.161 0.000 1.021 138 D CA 0.644 54.728 54.000 0.139 0.000 0.884 138 D CB 0.327 41.214 40.800 0.146 0.000 1.001 138 D HN 0.647 9.017 8.370 0.000 0.000 0.506 139 H N -2.266 116.804 119.070 -0.000 0.000 2.951 139 H HA 0.418 4.971 4.556 -0.005 0.000 0.292 139 H C -2.168 173.096 175.328 -0.107 0.000 1.412 139 H CA -0.807 55.209 56.048 -0.053 0.000 1.206 139 H CB 0.759 30.496 29.762 -0.042 0.000 1.862 139 H HN -0.176 8.104 8.280 0.000 0.000 0.502 140 V N 1.650 121.551 119.914 -0.021 0.000 2.555 140 V HA 0.460 4.577 4.120 -0.005 0.000 0.302 140 V C -0.041 176.025 176.094 -0.047 0.000 1.038 140 V CA -0.491 61.729 62.300 -0.133 0.000 0.887 140 V CB 1.707 33.405 31.823 -0.208 0.000 0.991 140 V HN 0.833 9.023 8.190 0.000 0.000 0.434 141 S N 4.524 120.123 115.700 -0.168 0.000 2.568 141 S HA 0.707 5.174 4.470 -0.005 0.000 0.302 141 S C -0.441 173.982 174.600 -0.296 0.000 1.082 141 S CA -0.570 57.453 58.200 -0.294 0.000 1.009 141 S CB 1.631 64.436 63.200 -0.659 0.000 1.069 141 S HN 0.633 8.943 8.310 0.000 0.000 0.500 142 I N 0.696 121.109 120.570 -0.262 0.000 2.353 142 I HA 0.724 4.891 4.170 -0.005 0.000 0.293 142 I C 0.035 176.024 176.117 -0.213 0.000 0.992 142 I CA -0.714 60.470 61.300 -0.192 0.000 1.268 142 I CB 0.254 38.171 38.000 -0.138 0.000 1.387 142 I HN 0.705 8.915 8.210 0.000 0.000 0.478 143 C N 2.788 122.003 119.300 -0.141 0.000 3.307 143 C HA 0.865 5.322 4.460 -0.005 0.000 0.350 143 C C 1.542 176.511 174.990 -0.034 0.000 1.549 143 C CA 0.035 58.997 59.018 -0.094 0.000 1.396 143 C CB 1.221 28.936 27.740 -0.042 0.000 1.970 143 C HN 0.956 9.186 8.230 0.000 0.000 0.441 144 A N -0.093 122.737 122.820 0.017 0.000 1.898 144 A HA 0.366 4.683 4.320 -0.005 0.000 0.216 144 A C 0.552 178.169 177.584 0.055 0.000 1.181 144 A CA 2.044 54.116 52.037 0.059 0.000 0.620 144 A CB -0.403 18.652 19.000 0.092 0.000 0.819 144 A HN 1.476 9.626 8.150 0.000 0.000 0.442 145 L N -1.521 119.731 121.223 0.049 0.000 2.849 145 L HA 0.531 4.867 4.340 -0.005 0.000 0.256 145 L C 0.143 177.038 176.870 0.041 0.000 0.951 145 L CA 0.178 55.045 54.840 0.045 0.000 1.003 145 L CB 0.523 42.612 42.059 0.051 0.000 1.408 145 L HN 0.283 8.513 8.230 0.000 0.000 0.463 146 G N 2.868 111.684 108.800 0.028 0.000 2.562 146 G HA2 0.121 4.078 3.960 -0.005 0.000 0.233 146 G HA3 0.121 4.078 3.960 -0.005 0.000 0.233 146 G C 0.499 175.417 174.900 0.030 0.000 1.266 146 G CA -0.304 44.812 45.100 0.027 0.000 0.852 146 G HN 0.785 9.075 8.290 0.000 0.000 0.581 147 R N 0.326 120.846 120.500 0.032 0.000 2.240 147 R HA 0.043 4.380 4.340 -0.005 0.000 0.203 147 R C 1.108 177.418 176.300 0.015 0.000 1.011 147 R CA 0.412 56.528 56.100 0.026 0.000 1.007 147 R CB 0.135 30.451 30.300 0.026 0.000 0.911 147 R HN 0.435 8.705 8.270 0.000 0.000 0.468 148 R N 0.730 121.234 120.500 0.006 0.000 2.596 148 R HA 0.314 4.651 4.340 -0.005 0.000 0.267 148 R C 0.115 176.412 176.300 -0.005 0.000 1.026 148 R CA -0.819 55.276 56.100 -0.008 0.000 1.087 148 R CB 0.902 31.188 30.300 -0.023 0.000 1.132 148 R HN -0.133 8.137 8.270 0.000 0.000 0.531 149 R N -0.266 120.227 120.500 -0.012 0.000 2.608 149 R HA 0.265 4.602 4.340 -0.005 0.000 0.255 149 R C 0.886 177.184 176.300 -0.003 0.000 1.086 149 R CA -0.032 56.065 56.100 -0.005 0.000 1.125 149 R CB 0.507 30.800 30.300 -0.012 0.000 1.193 149 R HN 0.946 9.216 8.270 0.000 0.000 0.553 150 G N 0.012 108.816 108.800 0.008 0.000 2.205 150 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.269 150 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.269 150 G C 0.859 175.805 174.900 0.076 0.000 0.977 150 G CA 1.309 46.425 45.100 0.026 0.000 0.652 150 G HN 0.551 8.841 8.290 0.000 0.000 0.539 151 T N 0.330 114.908 114.554 0.040 0.000 3.007 151 T HA 0.041 4.388 4.350 -0.005 0.000 0.270 151 T C 1.602 176.312 174.700 0.016 0.000 1.107 151 T CA 1.443 63.551 62.100 0.014 0.000 1.118 151 T CB -0.147 68.714 68.868 -0.012 0.000 0.889 151 T HN 0.734 8.974 8.240 0.000 0.000 0.506 152 T N 2.669 117.256 114.554 0.055 0.000 2.609 152 T HA 0.263 4.610 4.350 -0.005 0.000 0.257 152 T C 0.282 175.023 174.700 0.069 0.000 1.032 152 T CA -0.213 61.926 62.100 0.066 0.000 1.244 152 T CB -0.443 68.483 68.868 0.096 0.000 1.003 152 T HN 0.346 8.586 8.240 0.000 0.000 0.507 153 A N 4.692 127.494 122.820 -0.031 0.000 2.246 153 A HA 0.707 5.024 4.320 -0.005 0.000 0.291 153 A C -0.206 177.311 177.584 -0.113 0.000 1.103 153 A CA -0.641 51.313 52.037 -0.138 0.000 0.844 153 A CB 1.030 19.804 19.000 -0.376 0.000 1.136 153 A HN 0.744 8.894 8.150 0.000 0.000 0.500 154 V N 0.375 120.196 119.914 -0.155 0.000 2.531 154 V HA 0.389 4.506 4.120 -0.005 0.000 0.301 154 V C -1.478 174.531 176.094 -0.141 0.000 1.034 154 V CA -0.248 62.020 62.300 -0.052 0.000 0.865 154 V CB 1.096 32.852 31.823 -0.112 0.000 0.995 154 V HN 0.741 8.931 8.190 0.000 0.000 0.424 155 Y N 2.445 122.914 120.300 0.281 0.000 2.387 155 Y HA 0.866 5.414 4.550 -0.004 0.000 0.336 155 Y C 0.768 176.895 175.900 0.378 0.000 1.067 155 Y CA -0.120 58.158 58.100 0.297 0.000 1.114 155 Y CB 2.351 40.981 38.460 0.283 0.000 1.208 155 Y HN 0.800 9.080 8.280 0.000 0.000 0.458 156 G N -0.157 108.957 108.800 0.523 0.000 2.550 156 G HA2 0.284 4.241 3.960 -0.005 0.000 0.293 156 G HA3 0.284 4.241 3.960 -0.005 0.000 0.293 156 G C -0.192 174.976 174.900 0.447 0.000 1.402 156 G CA -0.184 45.263 45.100 0.579 0.000 0.784 156 G HN 0.489 8.779 8.290 0.000 0.000 0.482 157 T N -0.933 113.863 114.554 0.404 0.000 2.983 157 T HA 0.145 4.492 4.350 -0.005 0.000 0.250 157 T C 0.220 175.137 174.700 0.362 0.000 1.037 157 T CA 1.702 63.955 62.100 0.255 0.000 1.142 157 T CB -0.313 68.641 68.868 0.142 0.000 0.876 157 T HN 0.684 8.924 8.240 0.000 0.000 0.455 158 D N 0.849 121.530 120.400 0.468 0.000 2.505 158 D HA 0.210 4.847 4.640 -0.005 0.000 0.249 158 D C 1.093 177.658 176.300 0.441 0.000 1.082 158 D CA -0.571 53.713 54.000 0.473 0.000 0.839 158 D CB 1.451 42.428 40.800 0.295 0.000 1.317 158 D HN 0.198 8.568 8.370 0.000 0.000 0.497 159 L N 1.816 123.167 121.223 0.213 0.000 2.042 159 L HA -0.234 4.103 4.340 -0.005 0.000 0.210 159 L C 2.706 179.638 176.870 0.103 0.000 1.076 159 L CA 1.882 56.721 54.840 -0.002 0.000 0.749 159 L CB -0.509 41.362 42.059 -0.315 0.000 0.893 159 L HN 0.655 8.885 8.230 0.000 0.000 0.432 160 A N -0.187 122.703 122.820 0.117 0.000 1.870 160 A HA -0.332 3.985 4.320 -0.005 0.000 0.219 160 A C 1.998 179.676 177.584 0.158 0.000 1.224 160 A CA 2.426 54.529 52.037 0.111 0.000 0.650 160 A CB -1.401 17.673 19.000 0.123 0.000 0.836 160 A HN 0.648 8.798 8.150 0.000 0.000 0.454 161 W N 0.364 121.698 121.300 0.057 0.000 2.381 161 W HA -0.098 4.559 4.660 -0.006 0.000 0.301 161 W C 2.092 178.670 176.519 0.099 0.000 1.205 161 W CA 1.946 59.315 57.345 0.039 0.000 1.285 161 W CB -0.465 29.050 29.460 0.092 0.000 1.133 161 W HN 0.113 8.293 8.180 0.000 0.000 0.521 162 V N 1.174 121.232 119.914 0.239 0.000 2.392 162 V HA -0.301 3.816 4.120 -0.005 0.000 0.249 162 V C 2.141 178.363 176.094 0.213 0.000 1.059 162 V CA 1.942 64.365 62.300 0.205 0.000 1.051 162 V CB -0.891 31.129 31.823 0.329 0.000 0.658 162 V HN 0.189 8.379 8.190 0.000 0.000 0.455 163 L N -0.295 121.026 121.223 0.163 0.000 2.492 163 L HA 0.011 4.348 4.340 -0.005 0.000 0.223 163 L C 2.343 179.274 176.870 0.101 0.000 1.132 163 L CA 0.530 55.513 54.840 0.237 0.000 0.850 163 L CB -0.381 41.724 42.059 0.077 0.000 0.966 163 L HN 0.243 8.473 8.230 0.000 0.000 0.454 164 K N -0.082 120.234 120.400 -0.140 0.000 2.097 164 K HA -0.162 4.155 4.320 -0.005 0.000 0.205 164 K C 2.013 178.407 176.600 -0.344 0.000 1.050 164 K CA 1.481 57.620 56.287 -0.247 0.000 0.938 164 K CB -0.280 32.014 32.500 -0.344 0.000 0.718 164 K HN 0.306 8.556 8.250 0.000 0.000 0.442 165 H N -0.675 118.113 119.070 -0.469 0.000 2.538 165 H HA -0.135 4.418 4.556 -0.005 0.000 0.294 165 H C -0.228 174.739 175.328 -0.601 0.000 1.083 165 H CA 0.869 56.532 56.048 -0.642 0.000 1.233 165 H CB -0.284 28.913 29.762 -0.943 0.000 1.360 165 H HN 0.109 8.389 8.280 0.000 0.000 0.571 166 F N 0.676 120.687 119.950 0.102 0.000 2.303 166 F HA 0.200 4.723 4.527 -0.005 0.000 0.368 166 F C 1.389 177.240 175.800 0.086 0.000 1.105 166 F CA -0.557 57.548 58.000 0.176 0.000 1.153 166 F CB 1.240 40.389 39.000 0.250 0.000 1.362 166 F HN -0.134 8.166 8.300 0.000 0.000 0.511 167 S N 1.482 117.295 115.700 0.187 0.000 2.404 167 S HA -0.236 4.231 4.470 -0.005 0.000 0.216 167 S C 1.785 176.454 174.600 0.115 0.000 1.039 167 S CA 1.685 59.943 58.200 0.097 0.000 1.062 167 S CB -0.326 62.907 63.200 0.056 0.000 1.046 167 S HN 0.802 9.112 8.310 0.000 0.000 0.415 168 D N 1.435 121.908 120.400 0.122 0.000 2.421 168 D HA -0.132 4.505 4.640 -0.005 0.000 0.223 168 D C 0.452 176.832 176.300 0.132 0.000 0.979 168 D CA 0.232 54.285 54.000 0.089 0.000 0.959 168 D CB -0.599 40.214 40.800 0.022 0.000 0.874 168 D HN 0.277 8.647 8.370 0.000 0.000 0.513 169 L N 1.216 122.549 121.223 0.182 0.000 2.305 169 L HA 0.246 4.583 4.340 -0.005 0.000 0.281 169 L C -0.477 176.374 176.870 -0.033 0.000 1.085 169 L CA -0.672 54.209 54.840 0.068 0.000 0.813 169 L CB 1.022 43.028 42.059 -0.089 0.000 1.157 169 L HN -0.232 7.998 8.230 0.000 0.000 0.436 170 E N 6.247 126.405 120.200 -0.069 0.000 2.324 170 E HA 0.170 4.517 4.350 -0.005 0.000 0.271 170 E C -1.862 174.668 176.600 -0.117 0.000 1.028 170 E CA -1.253 55.104 56.400 -0.072 0.000 0.890 170 E CB 0.264 29.930 29.700 -0.056 0.000 1.004 170 E HN 0.499 8.859 8.360 0.000 0.000 0.431 171 P HA -0.212 4.208 4.420 0.000 0.000 0.218 171 P C 0.589 177.824 177.300 -0.108 0.000 1.146 171 P CA 1.244 64.288 63.100 -0.093 0.000 0.813 171 P CB 0.260 31.924 31.700 -0.059 0.000 0.778 172 S N -0.718 114.925 115.700 -0.096 0.000 2.370 172 S HA -0.156 4.311 4.470 -0.005 0.000 0.226 172 S C 1.717 176.236 174.600 -0.135 0.000 1.033 172 S CA 1.405 59.551 58.200 -0.090 0.000 1.011 172 S CB -1.021 62.141 63.200 -0.063 0.000 0.852 172 S HN 0.123 8.433 8.310 0.000 0.000 0.457 173 I N 2.169 122.620 120.570 -0.199 0.000 2.277 173 I HA 0.050 4.217 4.170 -0.005 0.000 0.243 173 I C 2.635 178.507 176.117 -0.409 0.000 1.094 173 I CA 0.969 62.069 61.300 -0.334 0.000 1.393 173 I CB -0.946 36.802 38.000 -0.420 0.000 1.078 173 I HN 0.217 8.427 8.210 0.000 0.000 0.417 174 A N 0.844 123.453 122.820 -0.353 0.000 1.908 174 A HA -0.157 4.159 4.320 -0.005 0.000 0.218 174 A C 2.540 180.007 177.584 -0.195 0.000 1.181 174 A CA 2.086 53.944 52.037 -0.298 0.000 0.627 174 A CB -1.151 17.710 19.000 -0.232 0.000 0.818 174 A HN 0.410 8.560 8.150 0.000 0.000 0.445 175 A N -1.149 121.580 122.820 -0.152 0.000 1.902 175 A HA -0.207 4.110 4.320 -0.005 0.000 0.217 175 A C 2.159 179.685 177.584 -0.096 0.000 1.181 175 A CA 2.149 54.125 52.037 -0.101 0.000 0.623 175 A CB -0.452 18.502 19.000 -0.077 0.000 0.818 175 A HN 0.556 8.706 8.150 0.000 0.000 0.443 176 Q N -0.597 119.132 119.800 -0.117 0.000 2.163 176 Q HA 0.097 4.434 4.340 -0.005 0.000 0.198 176 Q C 1.785 177.738 176.000 -0.078 0.000 0.954 176 Q CA 1.156 56.910 55.803 -0.082 0.000 0.851 176 Q CB -0.322 28.376 28.738 -0.066 0.000 0.928 176 Q HN 0.662 8.932 8.270 0.000 0.000 0.459 177 I N 0.394 120.863 120.570 -0.169 0.000 2.361 177 I HA -0.256 3.910 4.170 -0.005 0.000 0.251 177 I C 1.254 177.356 176.117 -0.025 0.000 1.133 177 I CA 1.338 62.584 61.300 -0.090 0.000 1.413 177 I CB 0.037 37.858 38.000 -0.298 0.000 1.073 177 I HN 0.313 8.523 8.210 0.000 0.000 0.424 178 E N 0.501 120.649 120.200 -0.086 0.000 2.401 178 E HA -0.176 4.171 4.350 -0.005 0.000 0.199 178 E C 1.360 177.897 176.600 -0.105 0.000 1.023 178 E CA 0.606 56.944 56.400 -0.103 0.000 0.859 178 E CB -0.044 29.610 29.700 -0.077 0.000 0.780 178 E HN 0.634 8.994 8.360 0.000 0.000 0.523 179 N N 0.668 119.319 118.700 -0.081 0.000 2.439 179 N HA -0.056 4.681 4.740 -0.005 0.000 0.176 179 N C 0.903 176.356 175.510 -0.095 0.000 1.029 179 N CA 0.696 53.704 53.050 -0.069 0.000 0.886 179 N CB 0.084 38.550 38.487 -0.035 0.000 1.057 179 N HN 0.143 8.523 8.380 0.000 0.000 0.437 180 D N 1.473 121.823 120.400 -0.083 0.000 2.263 180 D HA -0.039 4.597 4.640 -0.005 0.000 0.208 180 D C 1.854 177.911 176.300 -0.405 0.000 0.971 180 D CA 0.892 54.835 54.000 -0.096 0.000 0.867 180 D CB 0.071 40.955 40.800 0.140 0.000 0.929 180 D HN 0.245 8.615 8.370 0.000 0.000 0.492 181 A N 0.791 123.247 122.820 -0.606 0.000 1.854 181 A HA -0.181 4.136 4.320 -0.005 0.000 0.214 181 A C 1.898 179.311 177.584 -0.284 0.000 1.192 181 A CA 1.350 52.935 52.037 -0.753 0.000 0.611 181 A CB -0.666 17.996 19.000 -0.563 0.000 0.832 181 A HN 0.183 8.333 8.150 0.000 0.000 0.442 182 N N -0.033 118.572 118.700 -0.158 0.000 2.244 182 N HA -0.039 4.698 4.740 -0.005 0.000 0.183 182 N C 1.953 177.425 175.510 -0.063 0.000 1.016 182 N CA 0.801 53.810 53.050 -0.067 0.000 0.866 182 N CB -0.198 38.266 38.487 -0.039 0.000 0.980 182 N HN 0.503 8.883 8.380 0.000 0.000 0.430 183 A N 1.470 124.242 122.820 -0.081 0.000 1.858 183 A HA -0.047 4.270 4.320 -0.005 0.000 0.216 183 A C 2.343 179.903 177.584 -0.040 0.000 1.190 183 A CA 1.738 53.747 52.037 -0.047 0.000 0.617 183 A CB -0.956 18.022 19.000 -0.036 0.000 0.827 183 A HN 0.327 8.477 8.150 0.000 0.000 0.443 184 A N -0.266 122.510 122.820 -0.072 0.000 2.019 184 A HA -0.144 4.173 4.320 -0.005 0.000 0.219 184 A C 1.868 179.445 177.584 -0.011 0.000 1.164 184 A CA 1.619 53.638 52.037 -0.030 0.000 0.644 184 A CB -0.507 18.470 19.000 -0.038 0.000 0.805 184 A HN 0.541 8.691 8.150 0.000 0.000 0.449 185 K N 0.249 120.633 120.400 -0.027 0.000 2.640 185 K HA -0.130 4.187 4.320 -0.005 0.000 0.193 185 K C 0.905 177.508 176.600 0.005 0.000 1.036 185 K CA 0.526 56.811 56.287 -0.003 0.000 0.962 185 K CB -0.306 32.193 32.500 -0.002 0.000 0.791 185 K HN 0.738 8.988 8.250 0.000 0.000 0.491 195 P HA -0.206 4.214 4.420 0.000 0.000 0.217 195 P C -0.281 177.107 177.300 0.148 0.000 0.937 195 P CA 1.430 64.603 63.100 0.121 0.000 1.028 195 P CB 0.454 32.212 31.700 0.098 0.000 0.735 196 L N -5.451 115.862 121.223 0.150 0.000 5.346 196 L HA 0.024 4.361 4.340 -0.005 0.000 0.234 196 L C -2.645 174.299 176.870 0.124 0.000 1.179 196 L CA -0.959 53.969 54.840 0.147 0.000 1.130 196 L CB 0.404 42.583 42.059 0.200 0.000 1.624 196 L HN -0.048 8.182 8.230 0.000 0.000 0.516 197 P HA -0.040 4.380 4.420 0.000 0.000 0.148 197 P C 1.377 178.729 177.300 0.087 0.000 0.993 197 P CA 0.609 63.756 63.100 0.078 0.000 1.195 197 P CB 0.066 31.795 31.700 0.049 0.000 1.599 198 L N 0.023 121.299 121.223 0.088 0.000 2.151 198 L HA -0.286 4.051 4.340 -0.005 0.000 0.215 198 L C 2.420 179.330 176.870 0.067 0.000 1.084 198 L CA 2.195 57.084 54.840 0.081 0.000 0.764 198 L CB -1.140 40.947 42.059 0.047 0.000 0.891 198 L HN 0.293 8.523 8.230 0.000 0.000 0.435 199 T N -0.759 113.827 114.554 0.054 0.000 2.777 199 T HA -0.189 4.158 4.350 -0.005 0.000 0.266 199 T C 1.959 176.691 174.700 0.053 0.000 1.040 199 T CA 1.362 63.488 62.100 0.044 0.000 1.141 199 T CB 0.066 68.955 68.868 0.034 0.000 0.868 199 T HN 0.232 8.472 8.240 0.000 0.000 0.444 200 K N -0.016 120.419 120.400 0.058 0.000 2.155 200 K HA 0.127 4.444 4.320 -0.005 0.000 0.203 200 K C 2.225 178.877 176.600 0.087 0.000 1.052 200 K CA 0.793 57.115 56.287 0.058 0.000 0.948 200 K CB -0.118 32.407 32.500 0.042 0.000 0.728 200 K HN 0.369 8.619 8.250 0.000 0.000 0.448 201 L N 0.326 121.622 121.223 0.121 0.000 2.093 201 L HA -0.171 4.165 4.340 -0.005 0.000 0.208 201 L C 2.074 179.057 176.870 0.189 0.000 1.085 201 L CA 0.577 55.537 54.840 0.200 0.000 0.755 201 L CB -0.322 41.915 42.059 0.296 0.000 0.904 201 L HN 0.110 8.340 8.230 0.000 0.000 0.435 202 I N 0.533 121.173 120.570 0.116 0.000 2.179 202 I HA -0.227 3.940 4.170 -0.005 0.000 0.242 202 I C 2.772 178.941 176.117 0.086 0.000 1.088 202 I CA 1.543 62.890 61.300 0.078 0.000 1.357 202 I CB -0.872 37.150 38.000 0.037 0.000 1.051 202 I HN 0.115 8.325 8.210 0.000 0.000 0.409 203 A N 0.029 122.894 122.820 0.075 0.000 1.908 203 A HA -0.227 4.090 4.320 -0.005 0.000 0.218 203 A C 2.299 179.933 177.584 0.084 0.000 1.181 203 A CA 1.620 53.695 52.037 0.064 0.000 0.627 203 A CB -0.483 18.545 19.000 0.047 0.000 0.818 203 A HN 0.228 8.378 8.150 0.000 0.000 0.445 204 K N -0.237 120.226 120.400 0.106 0.000 2.147 204 K HA -0.027 4.290 4.320 -0.005 0.000 0.205 204 K C 2.146 178.837 176.600 0.151 0.000 1.049 204 K CA 1.303 57.663 56.287 0.121 0.000 0.936 204 K CB -0.679 31.899 32.500 0.130 0.000 0.722 204 K HN 0.485 8.735 8.250 0.000 0.000 0.446 205 A N 1.196 124.122 122.820 0.177 0.000 2.014 205 A HA -0.057 4.260 4.320 -0.005 0.000 0.218 205 A C 2.062 179.735 177.584 0.149 0.000 1.163 205 A CA 0.680 52.830 52.037 0.187 0.000 0.652 205 A CB -0.242 18.862 19.000 0.174 0.000 0.808 205 A HN 0.076 8.226 8.150 0.000 0.000 0.449 206 I N 0.704 121.353 120.570 0.132 0.000 2.202 206 I HA -0.192 3.975 4.170 -0.005 0.000 0.242 206 I C 1.679 177.919 176.117 0.205 0.000 1.091 206 I CA 1.554 62.944 61.300 0.150 0.000 1.368 206 I CB -1.555 36.503 38.000 0.096 0.000 1.058 206 I HN 0.250 8.460 8.210 0.000 0.000 0.410 207 D N 1.503 121.992 120.400 0.148 0.000 2.149 207 D HA -0.149 4.488 4.640 -0.005 0.000 0.198 207 D C 2.213 178.632 176.300 0.198 0.000 0.990 207 D CA 1.585 55.673 54.000 0.148 0.000 0.839 207 D CB -0.162 40.696 40.800 0.098 0.000 0.948 207 D HN 0.332 8.703 8.370 0.000 0.000 0.460 208 A N 0.445 123.367 122.820 0.170 0.000 2.067 208 A HA 0.044 4.361 4.320 -0.005 0.000 0.219 208 A C 2.290 179.956 177.584 0.136 0.000 1.158 208 A CA 1.623 53.747 52.037 0.145 0.000 0.661 208 A CB -0.800 18.283 19.000 0.139 0.000 0.801 208 A HN 0.300 8.450 8.150 0.000 0.000 0.452 209 G N -2.047 106.862 108.800 0.181 0.000 2.598 209 G HA2 0.134 4.091 3.960 -0.005 0.000 0.215 209 G HA3 0.134 4.091 3.960 -0.005 0.000 0.215 209 G C 0.200 175.049 174.900 -0.086 0.000 1.131 209 G CA 0.270 45.419 45.100 0.082 0.000 0.785 209 G HN 0.360 8.650 8.290 0.000 0.000 0.539 210 F N 0.570 120.540 119.950 0.034 0.000 2.471 210 F HA 0.559 5.083 4.527 -0.006 0.000 0.318 210 F C -0.226 175.592 175.800 0.030 0.000 1.308 210 F CA -0.719 57.298 58.000 0.029 0.000 1.162 210 F CB 0.816 39.832 39.000 0.026 0.000 1.383 210 F HN -0.216 8.084 8.300 0.000 0.000 0.552 211 L N 1.092 122.370 121.223 0.092 0.000 2.401 211 L HA 0.585 4.922 4.340 -0.005 0.000 0.266 211 L C -0.221 176.667 176.870 0.030 0.000 0.991 211 L CA -0.968 53.916 54.840 0.073 0.000 0.818 211 L CB 2.675 44.775 42.059 0.068 0.000 1.321 211 L HN 0.160 8.390 8.230 0.000 0.000 0.413 212 R N 2.593 123.113 120.500 0.034 0.000 2.297 212 R HA 0.317 4.654 4.340 -0.005 0.000 0.308 212 R C -0.326 175.985 176.300 0.017 0.000 1.029 212 R CA -0.571 55.540 56.100 0.018 0.000 0.929 212 R CB 0.650 30.964 30.300 0.023 0.000 1.046 212 R HN 0.620 8.890 8.270 0.000 0.000 0.461 213 N N 1.819 120.524 118.700 0.010 0.000 2.738 213 N HA -0.227 4.510 4.740 -0.005 0.000 0.249 213 N C 0.668 176.190 175.510 0.021 0.000 1.047 213 N CA 0.738 53.796 53.050 0.013 0.000 0.707 213 N CB -0.604 37.892 38.487 0.016 0.000 0.937 213 N HN 0.672 9.052 8.380 0.000 0.000 0.545 214 R N 0.427 120.940 120.500 0.022 0.000 2.055 214 R HA 0.001 4.338 4.340 -0.005 0.000 0.226 214 R C 1.731 178.053 176.300 0.036 0.000 1.135 214 R CA 1.576 57.695 56.100 0.032 0.000 0.959 214 R CB -0.016 30.306 30.300 0.037 0.000 0.854 214 R HN 0.121 8.391 8.270 0.000 0.000 0.431 215 V N 2.749 122.682 119.914 0.032 0.000 2.343 215 V HA -0.220 3.897 4.120 -0.005 0.000 0.247 215 V C 2.234 178.349 176.094 0.035 0.000 1.051 215 V CA 2.156 64.478 62.300 0.037 0.000 1.036 215 V CB -0.563 31.278 31.823 0.030 0.000 0.654 215 V HN 0.512 8.702 8.190 0.000 0.000 0.451 216 E N -0.325 119.891 120.200 0.026 0.000 2.347 216 E HA -0.132 4.215 4.350 -0.005 0.000 0.196 216 E C 1.914 178.529 176.600 0.025 0.000 1.008 216 E CA 1.352 57.766 56.400 0.023 0.000 0.852 216 E CB -0.605 29.105 29.700 0.017 0.000 0.783 216 E HN 0.536 8.896 8.360 0.000 0.000 0.505 217 T N 1.195 115.766 114.554 0.028 0.000 3.009 217 T HA 0.049 4.396 4.350 -0.005 0.000 0.258 217 T C 1.546 176.267 174.700 0.035 0.000 1.063 217 T CA -0.012 62.105 62.100 0.029 0.000 1.139 217 T CB 0.042 68.928 68.868 0.029 0.000 0.890 217 T HN 0.003 8.243 8.240 0.000 0.000 0.471 218 L N 1.375 122.623 121.223 0.043 0.000 2.217 218 L HA 0.190 4.527 4.340 -0.005 0.000 0.211 218 L C 2.316 179.218 176.870 0.054 0.000 1.107 218 L CA 1.371 56.244 54.840 0.054 0.000 0.783 218 L CB -0.823 41.276 42.059 0.066 0.000 0.919 218 L HN 0.155 8.385 8.230 0.000 0.000 0.442 219 R N -0.883 119.643 120.500 0.044 0.000 2.062 219 R HA -0.131 4.206 4.340 -0.005 0.000 0.229 219 R C 2.102 178.422 176.300 0.033 0.000 1.128 219 R CA 1.254 57.378 56.100 0.039 0.000 0.960 219 R CB -0.184 30.135 30.300 0.031 0.000 0.855 219 R HN 0.476 8.746 8.270 0.000 0.000 0.432 220 Q N 0.265 120.082 119.800 0.027 0.000 2.226 220 Q HA -0.152 4.185 4.340 -0.005 0.000 0.204 220 Q C 1.235 177.249 176.000 0.023 0.000 0.975 220 Q CA 1.092 56.907 55.803 0.021 0.000 0.866 220 Q CB 0.034 28.781 28.738 0.016 0.000 0.915 220 Q HN 0.288 8.558 8.270 0.000 0.000 0.440 221 D N 0.763 121.183 120.400 0.033 0.000 2.117 221 D HA -0.131 4.506 4.640 -0.005 0.000 0.198 221 D C 1.880 178.214 176.300 0.057 0.000 0.982 221 D CA 1.275 55.299 54.000 0.041 0.000 0.828 221 D CB 0.009 40.839 40.800 0.049 0.000 0.967 221 D HN 0.270 8.640 8.370 0.000 0.000 0.464 222 R N 0.234 120.770 120.500 0.060 0.000 2.189 222 R HA 0.097 4.434 4.340 -0.005 0.000 0.218 222 R C 2.056 178.384 176.300 0.047 0.000 1.074 222 R CA 1.536 57.675 56.100 0.065 0.000 0.991 222 R CB -1.049 29.284 30.300 0.054 0.000 0.883 222 R HN 0.098 8.368 8.270 0.000 0.000 0.457 223 G N 0.397 109.217 108.800 0.032 0.000 2.396 223 G HA2 -0.105 3.852 3.960 -0.005 0.000 0.214 223 G HA3 -0.105 3.852 3.960 -0.005 0.000 0.214 223 G C 1.337 176.243 174.900 0.011 0.000 1.166 223 G CA 0.616 45.727 45.100 0.019 0.000 0.793 223 G HN 0.184 8.474 8.290 0.000 0.000 0.533 224 V N 1.231 121.149 119.914 0.007 0.000 2.591 224 V HA 0.065 4.181 4.120 -0.005 0.000 0.249 224 V C 3.010 179.078 176.094 -0.043 0.000 1.053 224 V CA 1.630 63.917 62.300 -0.021 0.000 1.068 224 V CB -0.169 31.639 31.823 -0.026 0.000 0.689 224 V HN 0.416 8.606 8.190 0.000 0.000 0.462 225 A N -0.583 122.247 122.820 0.017 0.000 2.238 225 A HA 0.048 4.365 4.320 -0.005 0.000 0.208 225 A C 0.857 178.542 177.584 0.167 0.000 1.177 225 A CA 0.117 52.195 52.037 0.069 0.000 0.804 225 A CB -0.482 18.691 19.000 0.288 0.000 0.823 225 A HN 0.604 8.754 8.150 0.000 0.000 0.482 226 N N -0.405 118.345 118.700 0.084 0.000 2.671 226 N HA -0.139 4.598 4.740 -0.005 0.000 0.261 226 N C -0.826 174.743 175.510 0.099 0.000 1.053 226 N CA 1.145 54.245 53.050 0.083 0.000 0.732 226 N CB -1.085 37.444 38.487 0.071 0.000 0.887 226 N HN 0.613 8.993 8.380 0.000 0.000 0.546 227 I N 0.973 121.570 120.570 0.046 0.000 2.474 227 I HA 0.403 4.570 4.170 -0.005 0.000 0.294 227 I C -1.733 174.370 176.117 -0.023 0.000 1.005 227 I CA -1.918 59.358 61.300 -0.041 0.000 1.113 227 I CB 2.111 40.062 38.000 -0.083 0.000 1.289 227 I HN -0.074 8.136 8.210 0.000 0.000 0.436 228 P HA 0.065 4.485 4.420 0.000 0.000 0.271 228 P C 0.233 177.522 177.300 -0.019 0.000 1.233 228 P CA -0.224 62.863 63.100 -0.021 0.000 0.789 228 P CB 1.071 32.753 31.700 -0.030 0.000 0.951 229 A N 1.380 124.191 122.820 -0.015 0.000 2.014 229 A HA -0.117 4.200 4.320 -0.005 0.000 0.218 229 A C 1.215 178.783 177.584 -0.028 0.000 1.163 229 A CA 0.837 52.866 52.037 -0.013 0.000 0.652 229 A CB -0.938 18.059 19.000 -0.006 0.000 0.808 229 A HN 0.733 8.883 8.150 0.000 0.000 0.449 230 E N 1.199 121.381 120.200 -0.030 0.000 1.979 230 E HA 0.340 4.687 4.350 -0.005 0.000 0.285 230 E C -0.251 176.309 176.600 -0.065 0.000 1.188 230 E CA 0.195 56.568 56.400 -0.045 0.000 1.214 230 E CB -0.332 29.356 29.700 -0.020 0.000 1.210 230 E HN 0.408 8.768 8.360 0.000 0.000 0.477 231 S N 0.595 116.215 115.700 -0.133 0.000 2.720 231 S HA 0.320 4.787 4.470 -0.005 0.000 0.287 231 S C -0.473 173.932 174.600 -0.326 0.000 1.168 231 S CA -0.920 57.148 58.200 -0.220 0.000 0.832 231 S CB 0.271 63.353 63.200 -0.196 0.000 1.166 231 S HN 0.306 8.616 8.310 0.000 0.000 0.493 232 Y N 0.892 121.084 120.300 -0.180 0.000 2.718 232 Y HA 0.451 4.998 4.550 -0.005 0.000 0.322 232 Y C -0.036 175.583 175.900 -0.467 0.000 1.122 232 Y CA -0.768 57.153 58.100 -0.298 0.000 1.348 232 Y CB -0.447 37.810 38.460 -0.339 0.000 1.174 232 Y HN 0.296 8.576 8.280 0.000 0.000 0.523 233 L N 0.942 122.127 121.223 -0.064 0.000 2.313 233 L HA 0.206 4.543 4.340 -0.005 0.000 0.282 233 L C 1.124 178.072 176.870 0.131 0.000 1.092 233 L CA -0.528 54.404 54.840 0.153 0.000 0.831 233 L CB 0.854 43.000 42.059 0.145 0.000 1.159 233 L HN 0.024 8.254 8.230 0.000 0.000 0.442 234 K N 2.257 122.767 120.400 0.183 0.000 2.574 234 K HA 0.141 4.458 4.320 -0.005 0.000 0.193 234 K C 0.411 177.075 176.600 0.105 0.000 1.035 234 K CA 0.181 56.551 56.287 0.138 0.000 0.982 234 K CB -0.068 32.524 32.500 0.153 0.000 0.795 234 K HN 0.726 8.976 8.250 0.000 0.000 0.491 235 A N 0.000 122.882 122.820 0.104 0.000 2.254 235 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 235 A CA 0.000 52.083 52.037 0.076 0.000 0.836 235 A CB 0.000 19.046 19.000 0.076 0.000 0.831 235 A HN 0.000 8.150 8.150 0.000 0.000 0.486