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 2ee5_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGKNF NPPTRRNWES NYFGMPLQDL VTAEKPIPLF VEKCVEFIED DATA SEQUENCE TGLCTEGLYR VSGNKTDQDN IQKQFDQDHN INLVSMEVTV NAVAGALKAF DATA SEQUENCE FADLPDPLIP YSLHPELLEA AKIPDKTERL HALKEIVKKF HPVNYDVFRY DATA SEQUENCE VITHLNRVSQ QHKINLMTAD NLSICFWPTL MRPDFENREF LSTTKIHQSV DATA SEQUENCE VETFIQQCQF FFYNGEIVE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.900 174.900 -0.000 0.000 0.946 1 G CA 0.000 45.100 45.100 -0.000 0.000 0.502 2 S N 0.970 116.670 115.700 0.000 0.000 3.783 2 S HA -0.113 4.358 4.470 0.000 0.000 0.360 2 S C -0.847 173.753 174.600 0.000 0.000 1.006 2 S CA 0.241 58.442 58.200 0.000 0.000 1.115 2 S CB -0.225 62.976 63.200 0.001 0.000 0.893 2 S HN -0.075 8.235 8.310 0.000 0.000 0.475 3 S N 1.287 116.987 115.700 0.000 0.000 2.409 3 S HA 0.027 4.497 4.470 0.000 0.000 0.308 3 S C 0.157 174.757 174.600 0.000 0.000 1.080 3 S CA 0.304 58.504 58.200 -0.000 0.000 1.081 3 S CB 0.057 63.257 63.200 -0.001 0.000 1.009 3 S HN -0.162 8.148 8.310 -0.000 0.000 0.502 4 G N 2.960 111.760 108.800 0.001 0.000 2.495 4 G HA2 0.244 4.204 3.960 0.001 0.000 0.318 4 G HA3 0.244 4.205 3.960 0.002 0.000 0.318 4 G C -0.930 173.971 174.900 0.002 0.000 1.257 4 G CA -0.225 44.876 45.100 0.001 0.000 0.962 4 G HN 0.135 8.426 8.290 0.001 0.000 0.483 5 S N 0.127 115.828 115.700 0.002 0.000 2.687 5 S HA 0.255 4.726 4.470 0.002 0.000 0.283 5 S C 0.404 175.007 174.600 0.004 0.000 1.170 5 S CA -0.425 57.776 58.200 0.002 0.000 1.008 5 S CB 1.453 64.654 63.200 0.001 0.000 1.026 5 S HN -0.080 8.231 8.310 0.002 0.000 0.541 6 S N 0.716 116.419 115.700 0.006 0.000 2.554 6 S HA 0.059 4.534 4.470 0.008 0.000 0.227 6 S C 0.209 174.816 174.600 0.011 0.000 1.050 6 S CA -0.129 58.076 58.200 0.008 0.000 0.927 6 S CB 1.087 64.293 63.200 0.009 0.000 0.859 6 S HN 0.244 8.558 8.310 0.005 0.000 0.494 7 G N 1.778 110.584 108.800 0.011 0.000 2.342 7 G HA2 -0.107 3.859 3.960 0.010 0.000 0.220 7 G HA3 -0.107 3.864 3.960 0.019 0.000 0.220 7 G C -1.525 173.386 174.900 0.018 0.000 1.243 7 G CA -0.578 44.531 45.100 0.014 0.000 1.083 7 G HN -0.260 8.035 8.290 0.008 0.000 0.500 8 K N 0.306 120.723 120.400 0.029 0.000 2.508 8 K HA 0.186 4.526 4.320 0.034 0.000 0.260 8 K C -1.699 174.955 176.600 0.089 0.000 0.949 8 K CA -0.461 55.850 56.287 0.040 0.000 0.834 8 K CB 1.366 33.871 32.500 0.009 0.000 1.365 8 K HN -0.038 8.233 8.250 0.035 0.000 0.437 9 N N 2.004 120.776 118.700 0.120 0.000 2.284 9 N HA 0.576 5.449 4.740 0.222 0.000 0.289 9 N C -1.685 174.006 175.510 0.302 0.000 1.179 9 N CA -0.379 52.781 53.050 0.182 0.000 0.774 9 N CB 2.120 40.662 38.487 0.092 0.000 1.548 9 N HN 0.398 8.834 8.380 0.093 0.000 0.473 10 F N -2.069 117.878 119.950 -0.005 0.000 2.900 10 F HA 0.485 5.008 4.527 -0.006 0.000 0.321 10 F C -2.424 173.372 175.800 -0.006 0.000 1.160 10 F CA -0.839 57.158 58.000 -0.006 0.000 0.890 10 F CB 1.519 40.515 39.000 -0.007 0.000 1.334 10 F HN 0.058 8.479 8.300 0.201 0.000 0.459 11 N N 1.760 120.229 118.700 -0.385 0.000 2.238 11 N HA 0.357 4.696 4.740 -0.670 0.000 0.302 11 N C -2.769 172.533 175.510 -0.347 0.000 1.072 11 N CA -1.217 51.553 53.050 -0.468 0.000 0.792 11 N CB 1.526 39.899 38.487 -0.190 0.000 1.425 11 N HN 0.063 8.445 8.380 0.002 0.000 0.478 12 P HA 0.230 4.653 4.420 0.005 0.000 0.272 12 P C -1.566 175.706 177.300 -0.047 0.000 1.223 12 P CA -1.153 61.876 63.100 -0.118 0.000 0.784 12 P CB -0.233 31.394 31.700 -0.122 0.000 0.923 13 P HA 0.103 4.524 4.420 0.001 0.000 0.296 13 P C -0.618 176.672 177.300 -0.017 0.000 1.295 13 P CA -0.166 62.933 63.100 -0.001 0.000 0.754 13 P CB 0.362 32.069 31.700 0.011 0.000 1.311 14 T N -1.409 113.137 114.554 -0.013 0.000 2.824 14 T HA 0.017 4.355 4.350 -0.020 0.000 0.277 14 T C -0.215 174.472 174.700 -0.022 0.000 0.975 14 T CA -0.343 61.748 62.100 -0.016 0.000 0.966 14 T CB 0.973 69.835 68.868 -0.009 0.000 1.054 14 T HN -0.141 8.095 8.240 -0.007 0.000 0.533 15 R N 0.034 120.521 120.500 -0.021 0.000 2.533 15 R HA 0.229 4.544 4.340 -0.042 0.000 0.288 15 R C -0.983 175.310 176.300 -0.011 0.000 1.039 15 R CA -0.434 55.650 56.100 -0.028 0.000 0.909 15 R CB 1.328 31.609 30.300 -0.032 0.000 1.195 15 R HN 0.136 8.397 8.270 -0.015 0.000 0.438 16 R N 5.903 126.397 120.500 -0.009 0.000 2.944 16 R HA 0.300 4.646 4.340 0.010 0.000 0.233 16 R C 0.192 176.515 176.300 0.039 0.000 1.346 16 R CA -1.469 54.638 56.100 0.011 0.000 1.082 16 R CB 1.890 32.198 30.300 0.012 0.000 1.434 16 R HN 0.062 8.316 8.270 -0.026 0.000 0.510 17 N N -1.266 117.458 118.700 0.041 0.000 2.187 17 N HA -0.300 4.482 4.740 0.070 0.000 0.194 17 N C -0.793 174.853 175.510 0.225 0.000 1.002 17 N CA 2.235 55.328 53.050 0.072 0.000 0.882 17 N CB 0.163 38.650 38.487 -0.000 0.000 1.003 17 N HN 0.156 8.547 8.380 0.018 0.000 0.443 18 W N -1.222 120.010 121.300 -0.112 0.000 3.064 18 W HA -0.008 4.623 4.660 -0.048 0.000 0.328 18 W C -2.634 173.868 176.519 -0.027 0.000 1.210 18 W CA -0.271 57.020 57.345 -0.090 0.000 1.178 18 W CB 1.830 31.191 29.460 -0.164 0.000 1.416 18 W HN -0.676 7.530 8.180 0.099 0.033 0.568 19 E N 2.386 122.206 120.200 -0.633 0.000 2.316 19 E HA 0.188 4.541 4.350 0.005 0.000 0.254 19 E C -1.927 174.539 176.600 -0.223 0.000 0.902 19 E CA -0.802 55.427 56.400 -0.286 0.000 0.801 19 E CB 1.301 30.830 29.700 -0.285 0.000 1.270 19 E HN 0.110 7.417 8.360 -1.755 0.000 0.414 20 S N 3.129 118.971 115.700 0.237 0.000 2.556 20 S HA 0.197 4.765 4.470 0.163 0.000 0.280 20 S C -1.503 173.269 174.600 0.287 0.000 1.141 20 S CA -0.487 57.905 58.200 0.319 0.000 0.883 20 S CB 1.758 65.283 63.200 0.543 0.000 1.103 20 S HN 0.042 8.618 8.310 0.443 0.000 0.453 21 N N 3.066 121.890 118.700 0.206 0.000 2.314 21 N HA 0.077 4.738 4.740 -0.132 0.000 0.200 21 N C 0.017 175.542 175.510 0.025 0.000 1.135 21 N CA 0.549 53.621 53.050 0.038 0.000 0.835 21 N CB -0.219 38.300 38.487 0.053 0.000 0.989 21 N HN 0.525 9.062 8.380 0.263 0.000 0.478 22 Y N -0.956 119.319 120.300 -0.042 0.000 2.422 22 Y HA -0.008 4.520 4.550 -0.036 0.000 0.291 22 Y C 1.418 177.279 175.900 -0.066 0.000 1.144 22 Y CA 1.599 59.695 58.100 -0.007 0.000 1.208 22 Y CB 1.052 39.587 38.460 0.125 0.000 1.195 22 Y HN -0.484 7.964 8.280 0.436 0.094 0.535 23 F N -0.091 119.985 119.950 0.210 0.000 2.115 23 F HA -0.307 4.208 4.527 -0.020 0.000 0.300 23 F C 1.239 177.052 175.800 0.021 0.000 1.092 23 F CA 2.266 60.304 58.000 0.064 0.000 1.245 23 F CB -1.247 37.806 39.000 0.090 0.000 0.995 23 F HN -0.871 7.705 8.300 0.461 0.000 0.481 24 G N -1.717 106.370 108.800 -1.189 0.000 2.422 24 G HA2 -0.283 3.445 3.960 -0.386 0.000 0.218 24 G HA3 -0.283 3.119 3.960 -0.928 0.000 0.218 24 G C 0.294 175.021 174.900 -0.289 0.000 1.146 24 G CA 0.490 45.142 45.100 -0.747 0.000 0.769 24 G HN 0.026 7.217 8.290 -1.821 0.006 0.547 25 M N 0.926 120.367 119.600 -0.266 0.000 2.274 25 M HA 0.309 4.696 4.480 -0.155 0.000 0.344 25 M C -2.441 173.790 176.300 -0.115 0.000 1.161 25 M CA -2.870 52.322 55.300 -0.179 0.000 1.126 25 M CB 0.542 33.006 32.600 -0.226 0.000 1.522 25 M HN -0.605 7.392 8.290 -0.324 0.100 0.461 26 P HA 0.102 4.477 4.420 -0.075 0.000 0.272 26 P C 0.629 177.902 177.300 -0.044 0.000 1.230 26 P CA -1.156 61.901 63.100 -0.073 0.000 0.788 26 P CB 1.244 32.898 31.700 -0.078 0.000 0.949 27 L N 0.901 122.110 121.223 -0.023 0.000 2.043 27 L HA -0.451 3.943 4.340 0.090 0.000 0.212 27 L C 1.503 178.400 176.870 0.045 0.000 1.075 27 L CA 3.770 58.636 54.840 0.043 0.000 0.752 27 L CB 0.009 42.101 42.059 0.055 0.000 0.891 27 L HN 0.594 8.793 8.230 -0.052 0.000 0.432 28 Q N -4.064 115.755 119.800 0.030 0.000 2.197 28 Q HA -0.447 3.945 4.340 0.086 0.000 0.207 28 Q C 0.954 176.967 176.000 0.022 0.000 0.984 28 Q CA 2.780 58.617 55.803 0.057 0.000 0.869 28 Q CB -0.946 27.846 28.738 0.089 0.000 0.906 28 Q HN 0.251 8.513 8.270 -0.001 0.007 0.426 29 D N -1.032 119.358 120.400 -0.018 0.000 2.201 29 D HA -0.077 4.536 4.640 -0.044 0.000 0.209 29 D C 1.601 177.852 176.300 -0.083 0.000 0.961 29 D CA 1.556 55.519 54.000 -0.061 0.000 0.861 29 D CB 0.630 41.367 40.800 -0.106 0.000 0.997 29 D HN -0.465 7.738 8.370 -0.026 0.151 0.486 30 L N -2.593 118.586 121.223 -0.073 0.000 2.012 30 L HA -0.247 3.927 4.340 -0.278 0.000 0.210 30 L C 0.894 177.829 176.870 0.108 0.000 1.073 30 L CA 2.307 57.131 54.840 -0.026 0.000 0.748 30 L CB 0.033 42.203 42.059 0.184 0.000 0.891 30 L HN -0.400 7.738 8.230 -0.049 0.063 0.431 31 V N -7.208 112.768 119.914 0.103 0.000 3.295 31 V HA 0.011 4.209 4.120 0.130 0.000 0.308 31 V C -1.171 174.962 176.094 0.065 0.000 1.068 31 V CA -1.197 61.164 62.300 0.101 0.000 1.062 31 V CB 1.416 33.295 31.823 0.093 0.000 1.162 31 V HN -0.154 8.088 8.190 0.087 0.000 0.456 32 T N -4.149 110.441 114.554 0.060 0.000 2.926 32 T HA 0.347 4.718 4.350 0.034 0.000 0.289 32 T C 0.750 175.472 174.700 0.037 0.000 1.054 32 T CA -2.933 59.193 62.100 0.042 0.000 1.015 32 T CB 2.812 71.705 68.868 0.041 0.000 1.167 32 T HN -0.519 7.761 8.240 0.067 0.000 0.526 33 A N -0.119 122.717 122.820 0.027 0.000 1.917 33 A HA -0.268 4.066 4.320 0.023 0.000 0.219 33 A C 1.478 179.076 177.584 0.023 0.000 1.182 33 A CA 2.535 54.585 52.037 0.022 0.000 0.633 33 A CB -0.833 18.174 19.000 0.012 0.000 0.819 33 A HN 0.364 8.527 8.150 0.022 0.000 0.448 34 E N -3.606 116.608 120.200 0.024 0.000 2.058 34 E HA -0.182 4.180 4.350 0.020 0.000 0.194 34 E C 0.558 177.174 176.600 0.026 0.000 0.997 34 E CA 1.550 57.964 56.400 0.024 0.000 0.801 34 E CB 0.121 29.836 29.700 0.025 0.000 0.746 34 E HN 0.025 8.392 8.360 0.024 0.007 0.450 35 K N -2.230 118.189 120.400 0.031 0.000 2.579 35 K HA 0.484 4.815 4.320 0.017 0.000 0.225 35 K C -2.012 174.608 176.600 0.034 0.000 0.992 35 K CA -2.786 53.517 56.287 0.026 0.000 1.018 35 K CB 0.131 32.648 32.500 0.028 0.000 1.249 35 K HN -0.858 7.413 8.250 0.036 0.000 0.489 36 P HA -0.081 4.376 4.420 0.063 0.000 0.219 36 P C -0.902 176.426 177.300 0.046 0.000 1.150 36 P CA 0.951 64.084 63.100 0.055 0.000 0.814 36 P CB 0.563 32.306 31.700 0.071 0.000 0.787 37 I N -0.325 120.246 120.570 0.002 0.000 2.474 37 I HA 0.071 4.233 4.170 -0.012 0.000 0.287 37 I C -1.776 174.301 176.117 -0.067 0.000 1.048 37 I CA -2.626 58.642 61.300 -0.053 0.000 1.383 37 I CB 0.300 38.195 38.000 -0.175 0.000 1.412 37 I HN -0.505 7.677 8.210 -0.009 0.023 0.531 38 P HA 0.137 4.562 4.420 0.008 0.000 0.271 38 P C 0.409 177.636 177.300 -0.123 0.000 1.220 38 P CA -0.733 62.309 63.100 -0.096 0.000 0.768 38 P CB 0.945 32.482 31.700 -0.271 0.000 0.848 39 L N 5.609 126.829 121.223 -0.005 0.000 1.990 39 L HA -0.390 3.934 4.340 -0.027 0.000 0.213 39 L C 1.606 178.447 176.870 -0.049 0.000 1.072 39 L CA 3.951 58.807 54.840 0.028 0.000 0.755 39 L CB -0.167 42.001 42.059 0.181 0.000 0.889 39 L HN 0.295 8.563 8.230 0.064 0.000 0.432 40 F N -1.869 117.889 119.950 -0.320 0.000 2.048 40 F HA -0.518 3.462 4.527 -0.912 0.000 0.296 40 F C 1.601 177.137 175.800 -0.440 0.000 1.109 40 F CA 3.580 61.166 58.000 -0.689 0.000 1.214 40 F CB -0.837 37.608 39.000 -0.926 0.000 0.963 40 F HN -0.029 8.334 8.300 0.105 0.000 0.491 41 V N -1.627 118.071 119.914 -0.360 0.000 2.219 41 V HA -0.655 3.336 4.120 -0.215 0.000 0.248 41 V C 2.069 178.088 176.094 -0.124 0.000 1.053 41 V CA 4.281 66.453 62.300 -0.213 0.000 1.009 41 V CB -0.674 31.113 31.823 -0.059 0.000 0.636 41 V HN -0.574 7.391 8.190 -0.375 0.000 0.445 42 E N -0.751 119.372 120.200 -0.129 0.000 2.048 42 E HA -0.480 3.992 4.350 0.204 0.000 0.202 42 E C 2.704 179.311 176.600 0.011 0.000 1.021 42 E CA 3.374 59.751 56.400 -0.039 0.000 0.825 42 E CB -0.486 29.095 29.700 -0.198 0.000 0.756 42 E HN -0.666 7.573 8.360 -0.202 0.000 0.454 43 K N -2.307 118.054 120.400 -0.065 0.000 2.144 43 K HA -0.292 4.052 4.320 0.040 0.000 0.209 43 K C 2.614 179.167 176.600 -0.077 0.000 1.047 43 K CA 3.144 59.403 56.287 -0.047 0.000 0.927 43 K CB -0.464 31.986 32.500 -0.085 0.000 0.716 43 K HN 0.413 8.504 8.250 -0.094 0.103 0.454 44 C N -1.530 117.638 119.300 -0.220 0.000 2.475 44 C HA -0.205 4.091 4.460 -0.274 0.000 0.279 44 C C 1.928 176.891 174.990 -0.046 0.000 1.322 44 C CA 3.993 62.875 59.018 -0.225 0.000 1.734 44 C CB -0.280 27.235 27.740 -0.377 0.000 2.005 44 C HN -0.378 7.549 8.230 -0.293 0.126 0.495 45 V N 1.835 121.734 119.914 -0.027 0.000 2.239 45 V HA -0.440 3.492 4.120 -0.312 0.000 0.242 45 V C 1.941 178.058 176.094 0.038 0.000 1.038 45 V CA 4.577 66.830 62.300 -0.079 0.000 1.002 45 V CB -0.673 31.175 31.823 0.042 0.000 0.641 45 V HN 0.207 8.294 8.190 -0.004 0.100 0.449 46 E N -1.222 119.055 120.200 0.130 0.000 2.171 46 E HA -0.312 4.261 4.350 0.108 -0.159 0.197 46 E C 2.753 179.418 176.600 0.108 0.000 0.997 46 E CA 2.661 59.136 56.400 0.126 0.000 0.810 46 E CB -0.397 29.390 29.700 0.145 0.000 0.738 46 E HN 0.225 8.587 8.360 0.172 0.102 0.467 47 F N 0.773 120.712 119.950 -0.017 0.000 2.051 47 F HA -0.344 4.178 4.527 -0.008 0.000 0.296 47 F C 1.087 176.874 175.800 -0.022 0.000 1.122 47 F CA 3.451 61.436 58.000 -0.025 0.000 1.201 47 F CB 0.122 39.090 39.000 -0.053 0.000 0.978 47 F HN -0.738 7.683 8.300 0.241 0.023 0.472 48 I N -1.134 119.528 120.570 0.153 0.000 2.118 48 I HA -0.517 3.619 4.170 -0.058 0.000 0.241 48 I C 1.486 177.562 176.117 -0.069 0.000 1.070 48 I CA 3.920 65.233 61.300 0.023 0.000 1.327 48 I CB -0.059 38.009 38.000 0.113 0.000 1.034 48 I HN -0.740 7.679 8.210 0.349 0.000 0.405 49 E N -2.651 117.561 120.200 0.019 0.000 2.058 49 E HA -0.321 4.037 4.350 0.012 0.000 0.194 49 E C 2.734 179.290 176.600 -0.073 0.000 0.997 49 E CA 2.667 59.070 56.400 0.005 0.000 0.801 49 E CB 0.009 29.741 29.700 0.052 0.000 0.746 49 E HN -0.652 7.751 8.360 0.070 0.000 0.450 50 D N -0.179 120.154 120.400 -0.111 0.000 2.117 50 D HA -0.138 4.451 4.640 -0.085 0.000 0.197 50 D C 1.991 178.166 176.300 -0.209 0.000 0.987 50 D CA 2.793 56.709 54.000 -0.139 0.000 0.829 50 D CB 0.116 40.837 40.800 -0.132 0.000 0.961 50 D HN -0.115 8.132 8.370 -0.091 0.068 0.460 51 T N -5.061 109.278 114.554 -0.358 0.000 3.324 51 T HA 0.109 4.297 4.350 -0.271 0.000 0.250 51 T C 0.288 174.863 174.700 -0.208 0.000 1.059 51 T CA -0.291 61.595 62.100 -0.356 0.000 0.951 51 T CB 0.029 68.511 68.868 -0.643 0.000 1.030 51 T HN -0.132 7.650 8.240 -0.457 0.183 0.576 52 G N 1.158 109.870 108.800 -0.146 0.000 2.879 52 G HA2 -0.289 3.624 3.960 -0.078 0.000 0.686 52 G HA3 -0.289 3.619 3.960 -0.086 0.000 0.686 52 G C -1.823 173.033 174.900 -0.073 0.000 1.115 52 G CA -0.360 44.684 45.100 -0.093 0.000 0.770 52 G HN -0.448 7.548 8.290 -0.145 0.206 0.601 53 L N 1.088 122.277 121.223 -0.057 0.000 2.978 53 L HA 0.320 4.645 4.340 -0.024 0.000 0.239 53 L C -0.646 176.192 176.870 -0.053 0.000 1.293 53 L CA -1.009 53.803 54.840 -0.046 0.000 1.085 53 L CB -0.168 41.853 42.059 -0.063 0.000 1.432 53 L HN 0.307 8.501 8.230 -0.060 0.000 0.512 54 C N -3.209 116.062 119.300 -0.048 0.000 2.624 54 C HA 0.323 4.757 4.460 -0.043 0.000 0.263 54 C C -0.933 174.038 174.990 -0.032 0.000 1.587 54 C CA -2.482 56.511 59.018 -0.042 0.000 1.718 54 C CB 0.001 27.715 27.740 -0.044 0.000 3.050 54 C HN -0.253 7.857 8.230 -0.050 0.090 0.517 55 T N 4.053 118.588 114.554 -0.031 0.000 2.727 55 T HA 0.053 4.392 4.350 -0.018 0.000 0.298 55 T C -0.820 173.869 174.700 -0.017 0.000 0.942 55 T CA -0.228 61.859 62.100 -0.023 0.000 0.997 55 T CB 0.320 69.174 68.868 -0.023 0.000 0.917 55 T HN -0.527 7.628 8.240 -0.035 0.064 0.487 56 E N 7.014 127.210 120.200 -0.007 0.000 3.131 56 E HA -0.482 3.874 4.350 0.009 0.000 0.258 56 E C 0.472 177.076 176.600 0.006 0.000 0.901 56 E CA 1.217 57.620 56.400 0.004 0.000 0.964 56 E CB 0.520 30.225 29.700 0.008 0.000 0.903 56 E HN 0.188 8.544 8.360 -0.007 0.000 0.537 57 G N 3.788 112.600 108.800 0.020 0.000 2.144 57 G HA2 -0.329 3.748 3.960 0.056 0.000 0.251 57 G HA3 -0.329 3.657 3.960 0.043 0.000 0.251 57 G C 0.974 175.874 174.900 0.000 0.000 0.780 57 G CA 0.834 45.954 45.100 0.033 0.000 1.183 57 G HN 0.614 8.798 8.290 0.028 0.123 0.345 58 L N -2.051 119.133 121.223 -0.064 0.000 2.191 58 L HA -0.216 4.053 4.340 -0.118 0.000 0.212 58 L C -0.023 176.699 176.870 -0.248 0.000 1.103 58 L CA 2.308 57.031 54.840 -0.195 0.000 0.769 58 L CB -0.190 41.670 42.059 -0.330 0.000 0.908 58 L HN -0.685 7.516 8.230 -0.048 0.000 0.438 59 Y N -3.584 116.760 120.300 0.073 0.000 2.506 59 Y HA 0.053 4.604 4.550 0.003 0.000 0.287 59 Y C 1.556 177.454 175.900 -0.004 0.000 1.147 59 Y CA 1.650 59.766 58.100 0.026 0.000 1.241 59 Y CB -0.153 38.339 38.460 0.053 0.000 1.279 59 Y HN -0.338 7.943 8.280 0.047 0.028 0.527 60 R N -0.160 120.447 120.500 0.179 0.000 2.113 60 R HA -0.319 4.072 4.340 0.084 0.000 0.244 60 R C 0.359 176.696 176.300 0.061 0.000 1.142 60 R CA 1.710 57.869 56.100 0.098 0.000 0.953 60 R CB -0.041 30.310 30.300 0.085 0.000 0.860 60 R HN -0.066 8.332 8.270 0.213 0.000 0.438 61 V N -1.141 118.803 119.914 0.051 0.000 2.370 61 V HA 0.053 4.191 4.120 0.029 0.000 0.283 61 V C -1.383 174.727 176.094 0.027 0.000 1.023 61 V CA -0.231 62.088 62.300 0.032 0.000 0.857 61 V CB 1.710 33.547 31.823 0.024 0.000 0.985 61 V HN -0.496 7.619 8.190 0.054 0.107 0.443 62 S N 4.998 120.713 115.700 0.025 0.000 2.545 62 S HA 0.007 4.489 4.470 0.020 0.000 0.232 62 S C 0.802 175.412 174.600 0.017 0.000 1.070 62 S CA 0.828 59.041 58.200 0.022 0.000 0.923 62 S CB 1.420 64.634 63.200 0.024 0.000 0.806 62 S HN 0.517 8.841 8.310 0.023 0.000 0.506 63 G N 1.657 110.467 108.800 0.016 0.000 3.487 63 G HA2 -0.406 3.562 3.960 0.014 0.000 0.295 63 G HA3 -0.406 3.563 3.960 0.015 0.000 0.295 63 G C -0.683 174.226 174.900 0.015 0.000 1.454 63 G CA 0.553 45.662 45.100 0.015 0.000 1.039 63 G HN 0.212 8.512 8.290 0.016 0.000 0.624 64 N N 3.993 122.702 118.700 0.016 0.000 2.508 64 N HA 0.155 4.904 4.740 0.016 0.000 0.285 64 N C -0.195 175.326 175.510 0.018 0.000 1.144 64 N CA -0.736 52.324 53.050 0.017 0.000 0.978 64 N CB 1.128 39.626 38.487 0.019 0.000 1.180 64 N HN -0.001 8.389 8.380 0.017 0.000 0.484 65 K N 0.300 120.712 120.400 0.019 0.000 2.329 65 K HA 0.011 4.343 4.320 0.020 0.000 0.198 65 K C 1.769 178.386 176.600 0.028 0.000 1.085 65 K CA 2.276 58.576 56.287 0.021 0.000 0.961 65 K CB -0.065 32.446 32.500 0.018 0.000 0.971 65 K HN 0.394 8.656 8.250 0.019 0.000 0.502 66 T N 2.808 117.380 114.554 0.030 0.000 2.685 66 T HA -0.337 4.039 4.350 0.044 0.000 0.268 66 T C 1.520 176.246 174.700 0.043 0.000 1.034 66 T CA 4.081 66.204 62.100 0.038 0.000 1.149 66 T CB -0.546 68.342 68.868 0.034 0.000 0.860 66 T HN 0.004 8.260 8.240 0.026 0.000 0.449 67 D N -0.370 120.050 120.400 0.034 0.000 2.116 67 D HA -0.253 4.407 4.640 0.033 0.000 0.193 67 D C 2.572 178.894 176.300 0.037 0.000 0.998 67 D CA 3.486 57.504 54.000 0.030 0.000 0.836 67 D CB -0.817 39.994 40.800 0.017 0.000 0.951 67 D HN 0.355 8.729 8.370 0.029 0.012 0.449 68 Q N -2.336 117.487 119.800 0.039 0.000 2.119 68 Q HA -0.357 4.014 4.340 0.051 0.000 0.201 68 Q C 2.031 178.081 176.000 0.084 0.000 0.972 68 Q CA 3.257 59.093 55.803 0.055 0.000 0.847 68 Q CB -0.129 28.637 28.738 0.045 0.000 0.903 68 Q HN -0.282 7.913 8.270 0.032 0.095 0.433 69 D N -0.561 119.887 120.400 0.079 0.000 2.103 69 D HA -0.374 4.335 4.640 0.115 0.000 0.190 69 D C 1.828 178.219 176.300 0.152 0.000 0.997 69 D CA 4.136 58.203 54.000 0.113 0.000 0.833 69 D CB -0.056 40.804 40.800 0.099 0.000 0.961 69 D HN -0.541 7.749 8.370 0.063 0.118 0.447 70 N N -1.003 117.770 118.700 0.121 0.000 2.166 70 N HA -0.265 4.558 4.740 0.140 0.000 0.186 70 N C 2.391 177.996 175.510 0.159 0.000 1.019 70 N CA 2.750 55.877 53.050 0.128 0.000 0.856 70 N CB -0.528 38.013 38.487 0.090 0.000 0.993 70 N HN -0.544 7.893 8.380 0.094 0.000 0.426 71 I N 1.085 121.741 120.570 0.143 0.000 2.151 71 I HA -0.600 3.661 4.170 0.153 0.000 0.243 71 I C 2.320 178.624 176.117 0.311 0.000 1.080 71 I CA 4.079 65.486 61.300 0.178 0.000 1.339 71 I CB -0.269 37.796 38.000 0.108 0.000 1.039 71 I HN -0.431 7.755 8.210 0.111 0.090 0.409 72 Q N -2.265 117.694 119.800 0.265 0.000 2.096 72 Q HA -0.360 4.021 4.340 0.068 0.000 0.197 72 Q C 2.269 178.483 176.000 0.356 0.000 0.964 72 Q CA 2.891 58.810 55.803 0.195 0.000 0.838 72 Q CB 0.124 28.869 28.738 0.011 0.000 0.906 72 Q HN 0.001 8.399 8.270 0.212 0.000 0.444 73 K N 0.421 121.052 120.400 0.385 0.000 1.965 73 K HA -0.442 4.128 4.320 0.418 0.000 0.214 73 K C 2.081 178.815 176.600 0.223 0.000 1.046 73 K CA 4.152 60.640 56.287 0.336 0.000 0.944 73 K CB -0.194 32.447 32.500 0.235 0.000 0.726 73 K HN 0.186 8.628 8.250 0.321 0.000 0.441 74 Q N -2.490 117.426 119.800 0.194 0.000 2.118 74 Q HA -0.334 4.071 4.340 0.107 0.000 0.211 74 Q C 2.317 178.428 176.000 0.184 0.000 0.998 74 Q CA 3.001 58.898 55.803 0.157 0.000 0.872 74 Q CB -0.452 28.374 28.738 0.147 0.000 0.925 74 Q HN 0.130 8.411 8.270 0.191 0.103 0.414 75 F N -0.696 119.319 119.950 0.107 0.000 2.216 75 F HA -0.199 4.563 4.527 0.088 -0.182 0.300 75 F C 1.540 177.365 175.800 0.042 0.000 1.085 75 F CA 2.632 60.679 58.000 0.078 0.000 1.326 75 F CB 0.113 39.187 39.000 0.124 0.000 1.027 75 F HN -0.698 7.839 8.300 0.401 0.004 0.497 76 D N -1.195 119.318 120.400 0.188 0.000 2.084 76 D HA -0.321 4.369 4.640 0.084 0.000 0.196 76 D C 2.096 178.439 176.300 0.073 0.000 0.985 76 D CA 2.984 57.065 54.000 0.133 0.000 0.826 76 D CB 0.346 41.286 40.800 0.233 0.000 0.978 76 D HN -0.346 8.073 8.370 0.300 0.132 0.456 77 Q N -3.974 115.850 119.800 0.041 0.000 2.297 77 Q HA -0.154 4.169 4.340 -0.028 0.000 0.204 77 Q C 0.682 176.674 176.000 -0.014 0.000 0.962 77 Q CA 1.626 57.426 55.803 -0.004 0.000 0.879 77 Q CB 0.671 29.407 28.738 -0.005 0.000 0.947 77 Q HN -0.316 7.995 8.270 0.068 0.000 0.462 78 D N -0.254 120.147 120.400 0.002 0.000 2.616 78 D HA 0.285 4.896 4.640 -0.048 0.000 0.238 78 D C -1.372 174.870 176.300 -0.097 0.000 1.354 78 D CA -0.033 53.951 54.000 -0.026 0.000 0.970 78 D CB 2.529 43.326 40.800 -0.005 0.000 1.369 78 D HN -0.296 7.942 8.370 0.014 0.140 0.585 79 H N 1.024 119.867 119.070 -0.379 0.000 2.547 79 H HA 0.043 3.991 4.556 -1.174 -0.097 0.266 79 H C -0.009 175.160 175.328 -0.264 0.000 0.988 79 H CA 0.493 56.191 56.048 -0.583 0.000 1.147 79 H CB 0.642 30.134 29.762 -0.450 0.000 1.365 79 H HN 0.263 8.523 8.280 -0.032 0.000 0.589 80 N N -2.273 116.416 118.700 -0.018 0.000 2.279 80 N HA 0.052 4.819 4.740 0.045 0.000 0.226 80 N C -0.776 174.765 175.510 0.051 0.000 1.126 80 N CA -0.193 52.873 53.050 0.026 0.000 0.846 80 N CB 0.482 38.979 38.487 0.018 0.000 1.050 80 N HN -0.198 8.093 8.380 -0.028 0.073 0.502 81 I N 0.572 121.183 120.570 0.070 0.000 2.938 81 I HA -0.110 4.111 4.170 0.084 0.000 0.285 81 I C -0.945 175.249 176.117 0.129 0.000 1.182 81 I CA 0.086 61.453 61.300 0.113 0.000 1.388 81 I CB 0.904 39.008 38.000 0.175 0.000 1.390 81 I HN -0.651 7.484 8.210 0.030 0.093 0.600 82 N N 6.401 125.165 118.700 0.106 0.000 2.682 82 N HA 0.246 5.055 4.740 0.115 0.000 0.252 82 N C 0.211 175.778 175.510 0.094 0.000 1.081 82 N CA -0.675 52.437 53.050 0.103 0.000 0.844 82 N CB 0.002 38.543 38.487 0.089 0.000 1.167 82 N HN 0.143 8.580 8.380 0.095 0.000 0.523 83 L N 3.099 124.363 121.223 0.068 0.000 2.054 83 L HA -0.502 3.800 4.340 -0.062 0.000 0.220 83 L C 1.172 178.107 176.870 0.108 0.000 1.081 83 L CA 3.164 57.987 54.840 -0.028 0.000 0.780 83 L CB -0.164 41.731 42.059 -0.275 0.000 0.893 83 L HN 0.334 8.609 8.230 0.076 0.000 0.438 84 V N -3.157 116.901 119.914 0.240 0.000 2.282 84 V HA -0.481 3.871 4.120 0.387 0.000 0.249 84 V C 2.263 178.447 176.094 0.150 0.000 1.057 84 V CA 3.355 65.807 62.300 0.253 0.000 1.032 84 V CB -0.497 31.432 31.823 0.176 0.000 0.645 84 V HN -0.420 7.909 8.190 0.237 0.003 0.447 85 S N -0.532 115.233 115.700 0.108 0.000 2.387 85 S HA -0.263 4.251 4.470 0.072 0.000 0.230 85 S C 1.355 175.999 174.600 0.073 0.000 1.035 85 S CA 2.985 61.233 58.200 0.079 0.000 1.014 85 S CB -0.102 63.139 63.200 0.068 0.000 0.836 85 S HN -0.266 8.024 8.310 0.110 0.086 0.466 86 M N -2.242 117.401 119.600 0.072 0.000 2.229 86 M HA -0.119 4.393 4.480 0.053 0.000 0.264 86 M C -0.398 175.941 176.300 0.066 0.000 1.063 86 M CA 0.724 56.058 55.300 0.057 0.000 1.114 86 M CB 0.290 32.911 32.600 0.035 0.000 1.387 86 M HN -0.795 7.435 8.290 0.076 0.105 0.420 87 E N -2.732 117.529 120.200 0.101 0.000 2.320 87 E HA -0.325 4.129 4.350 0.173 0.000 0.234 87 E C -0.446 176.216 176.600 0.103 0.000 1.183 87 E CA 0.351 56.822 56.400 0.119 0.000 0.713 87 E CB -1.736 28.013 29.700 0.082 0.000 1.226 87 E HN -0.448 7.855 8.360 0.124 0.132 0.382 88 V N -4.551 115.418 119.914 0.091 0.000 3.441 88 V HA 0.185 4.333 4.120 0.047 0.000 0.300 88 V C 0.267 176.420 176.094 0.100 0.000 1.062 88 V CA -0.993 61.339 62.300 0.053 0.000 1.064 88 V CB 0.615 32.424 31.823 -0.023 0.000 1.197 88 V HN -0.412 7.828 8.190 0.083 0.000 0.451 89 T N 0.580 115.172 114.554 0.063 0.000 2.780 89 T HA 0.120 4.528 4.350 0.097 0.000 0.294 89 T C 1.460 176.215 174.700 0.091 0.000 0.949 89 T CA -1.209 60.937 62.100 0.076 0.000 1.074 89 T CB 0.904 69.798 68.868 0.044 0.000 0.910 89 T HN -0.176 8.084 8.240 0.035 0.000 0.501 90 V N 9.080 129.086 119.914 0.154 0.000 2.277 90 V HA -0.595 3.749 4.120 0.373 0.000 0.253 90 V C 1.492 177.619 176.094 0.056 0.000 1.067 90 V CA 4.374 66.784 62.300 0.184 0.000 1.047 90 V CB -0.137 31.758 31.823 0.120 0.000 0.649 90 V HN 0.724 9.003 8.190 0.148 0.000 0.447 91 N N -1.304 117.410 118.700 0.024 0.000 2.091 91 N HA -0.389 4.336 4.740 -0.026 0.000 0.193 91 N C 2.052 177.561 175.510 -0.002 0.000 1.021 91 N CA 3.292 56.342 53.050 -0.001 0.000 0.862 91 N CB -0.866 37.626 38.487 0.008 0.000 1.018 91 N HN -0.386 8.012 8.380 0.034 0.003 0.429 92 A N 0.337 123.157 122.820 -0.002 0.000 1.835 92 A HA -0.224 4.096 4.320 0.000 0.000 0.215 92 A C 1.659 179.215 177.584 -0.047 0.000 1.199 92 A CA 2.845 54.873 52.037 -0.015 0.000 0.615 92 A CB -0.344 18.645 19.000 -0.019 0.000 0.838 92 A HN 0.037 8.069 8.150 0.010 0.124 0.444 93 V N -0.372 119.475 119.914 -0.112 0.000 2.370 93 V HA -0.573 3.398 4.120 -0.248 0.000 0.252 93 V C 1.750 177.778 176.094 -0.110 0.000 1.068 93 V CA 4.397 66.573 62.300 -0.207 0.000 1.061 93 V CB -0.239 31.349 31.823 -0.390 0.000 0.656 93 V HN -0.714 7.412 8.190 -0.107 0.000 0.455 94 A N -1.224 121.570 122.820 -0.045 0.000 1.865 94 A HA -0.345 4.003 4.320 0.048 0.000 0.217 94 A C 1.796 179.478 177.584 0.163 0.000 1.191 94 A CA 3.284 55.335 52.037 0.025 0.000 0.623 94 A CB -0.931 17.983 19.000 -0.144 0.000 0.826 94 A HN 0.084 8.191 8.150 -0.047 0.015 0.444 95 G N -2.591 106.262 108.800 0.088 0.000 2.421 95 G HA2 -0.395 3.621 3.960 0.093 0.000 0.216 95 G HA3 -0.395 3.660 3.960 0.052 -0.063 0.216 95 G C 0.816 175.765 174.900 0.081 0.000 1.171 95 G CA 1.397 46.545 45.100 0.080 0.000 0.775 95 G HN -0.538 7.778 8.290 0.043 0.000 0.543 96 A N 2.965 125.821 122.820 0.059 0.000 1.948 96 A HA -0.255 4.208 4.320 0.148 -0.055 0.220 96 A C 1.806 179.501 177.584 0.185 0.000 1.177 96 A CA 2.733 54.840 52.037 0.117 0.000 0.636 96 A CB -0.648 18.396 19.000 0.072 0.000 0.815 96 A HN -0.115 7.983 8.150 0.024 0.067 0.449 97 L N -2.205 119.052 121.223 0.057 0.000 2.012 97 L HA -0.283 4.043 4.340 -0.024 0.000 0.210 97 L C 1.473 178.557 176.870 0.356 0.000 1.073 97 L CA 2.993 57.901 54.840 0.112 0.000 0.748 97 L CB -0.387 41.726 42.059 0.090 0.000 0.891 97 L HN -0.405 7.815 8.230 0.010 0.016 0.431 98 K N -1.771 118.769 120.400 0.232 0.000 2.001 98 K HA -0.385 4.062 4.320 0.212 0.000 0.208 98 K C 2.131 178.899 176.600 0.279 0.000 1.048 98 K CA 3.064 59.458 56.287 0.178 0.000 0.932 98 K CB -0.225 32.209 32.500 -0.109 0.000 0.715 98 K HN -0.656 7.613 8.250 0.167 0.080 0.437 99 A N -0.166 122.768 122.820 0.189 0.000 1.929 99 A HA -0.397 3.961 4.320 0.064 0.000 0.221 99 A C 1.435 179.122 177.584 0.173 0.000 1.211 99 A CA 3.209 55.324 52.037 0.130 0.000 0.657 99 A CB -0.726 18.321 19.000 0.078 0.000 0.827 99 A HN -0.063 8.175 8.150 0.147 0.000 0.462 100 F N -1.421 118.631 119.950 0.170 0.000 2.065 100 F HA -0.459 4.046 4.527 -0.038 0.000 0.298 100 F C 1.365 177.211 175.800 0.077 0.000 1.112 100 F CA 3.841 61.901 58.000 0.100 0.000 1.212 100 F CB 0.027 39.160 39.000 0.221 0.000 0.975 100 F HN -0.687 7.924 8.300 0.529 0.006 0.476 101 F N -2.909 117.243 119.950 0.336 0.000 2.202 101 F HA -0.467 4.190 4.527 0.218 0.000 0.301 101 F C 1.196 177.005 175.800 0.015 0.000 1.082 101 F CA 3.154 61.272 58.000 0.197 0.000 1.313 101 F CB -0.560 38.588 39.000 0.246 0.000 1.024 101 F HN -0.552 8.293 8.300 1.023 0.069 0.495 102 A N -3.352 119.573 122.820 0.176 0.000 2.014 102 A HA -0.240 4.125 4.320 0.074 0.000 0.218 102 A C 0.523 178.078 177.584 -0.048 0.000 1.163 102 A CA 1.762 53.832 52.037 0.054 0.000 0.652 102 A CB -0.110 18.911 19.000 0.035 0.000 0.808 102 A HN -0.390 7.782 8.150 0.238 0.120 0.449 103 D N -1.800 118.515 120.400 -0.142 0.000 2.194 103 D HA -0.141 4.394 4.640 -0.174 0.000 0.204 103 D C 0.761 176.934 176.300 -0.211 0.000 0.964 103 D CA 0.932 54.799 54.000 -0.221 0.000 0.846 103 D CB 0.834 41.426 40.800 -0.346 0.000 0.962 103 D HN -0.463 7.677 8.370 -0.139 0.146 0.490 104 L N 0.427 121.487 121.223 -0.272 0.000 2.640 104 L HA -0.239 3.932 4.340 -0.283 0.000 0.300 104 L C -0.873 175.934 176.870 -0.105 0.000 1.259 104 L CA 0.131 54.839 54.840 -0.220 0.000 0.879 104 L CB -0.314 41.639 42.059 -0.177 0.000 1.125 104 L HN -0.590 7.337 8.230 -0.314 0.114 0.507 105 P HA -0.034 4.384 4.420 -0.003 0.000 0.223 105 P C -1.284 175.995 177.300 -0.034 0.000 1.151 105 P CA 0.787 63.868 63.100 -0.031 0.000 0.787 105 P CB 0.423 32.107 31.700 -0.027 0.000 0.788 106 D N -3.368 116.992 120.400 -0.066 0.000 2.645 106 D HA 0.131 4.752 4.640 -0.031 0.000 0.228 106 D C -2.229 174.016 176.300 -0.091 0.000 1.148 106 D CA -3.368 50.585 54.000 -0.078 0.000 0.860 106 D CB -0.196 40.522 40.800 -0.137 0.000 1.548 106 D HN -0.671 7.607 8.370 -0.086 0.041 0.460 107 P HA 0.046 4.448 4.420 -0.031 0.000 0.271 107 P C -0.032 177.176 177.300 -0.152 0.000 1.220 107 P CA -0.480 62.561 63.100 -0.098 0.000 0.768 107 P CB 1.206 32.852 31.700 -0.091 0.000 0.848 108 L N 2.366 123.551 121.223 -0.063 0.000 2.030 108 L HA -0.320 4.011 4.340 -0.015 0.000 0.222 108 L C 0.206 176.964 176.870 -0.188 0.000 1.082 108 L CA 2.329 57.134 54.840 -0.059 0.000 0.785 108 L CB 0.267 42.330 42.059 0.008 0.000 0.895 108 L HN 0.172 8.407 8.230 0.009 0.000 0.439 109 I N -3.672 116.751 120.570 -0.244 0.000 2.342 109 I HA 0.185 4.041 4.170 -0.523 0.000 0.291 109 I C -2.179 173.670 176.117 -0.446 0.000 1.010 109 I CA -2.548 58.542 61.300 -0.349 0.000 1.308 109 I CB 0.294 38.178 38.000 -0.194 0.000 1.400 109 I HN -0.921 7.172 8.210 -0.198 -0.002 0.488 110 P HA 0.100 3.987 4.420 -0.888 0.000 0.272 110 P C -0.228 176.668 177.300 -0.673 0.000 1.240 110 P CA -0.980 61.707 63.100 -0.688 0.000 0.791 110 P CB 0.819 32.206 31.700 -0.522 0.000 0.978 111 Y N -0.833 119.207 120.300 -0.434 0.000 2.561 111 Y HA -0.126 3.600 4.550 -1.373 0.000 0.291 111 Y C 2.334 178.006 175.900 -0.381 0.000 1.141 111 Y CA 1.206 58.911 58.100 -0.659 0.000 1.303 111 Y CB -0.517 37.674 38.460 -0.448 0.000 1.015 111 Y HN 0.125 7.784 8.280 -1.036 0.000 0.547 112 S N -0.766 114.836 115.700 -0.164 0.000 2.631 112 S HA 0.043 4.487 4.470 -0.044 0.000 0.217 112 S C -0.162 174.394 174.600 -0.073 0.000 0.958 112 S CA 0.337 58.484 58.200 -0.087 0.000 0.920 112 S CB -0.899 62.252 63.200 -0.081 0.000 0.776 112 S HN -0.198 7.907 8.310 -0.246 0.058 0.517 113 L N -2.269 118.897 121.223 -0.096 0.000 3.333 113 L HA 0.282 4.638 4.340 0.027 0.000 0.299 113 L C 0.218 177.164 176.870 0.127 0.000 1.256 113 L CA -0.798 54.032 54.840 -0.017 0.000 1.037 113 L CB 0.426 42.391 42.059 -0.157 0.000 1.423 113 L HN -0.819 7.222 8.230 -0.168 0.088 0.605 114 H N 1.823 120.899 119.070 0.010 0.000 2.268 114 H HA -0.071 4.513 4.556 0.047 0.000 0.304 114 H C -0.329 175.036 175.328 0.062 0.000 1.064 114 H CA 5.065 61.145 56.048 0.053 0.000 1.316 114 H CB -1.000 28.816 29.762 0.090 0.000 1.386 114 H HN -0.696 7.663 8.280 0.132 0.000 0.496 115 P HA -0.066 4.403 4.420 0.082 0.000 0.221 115 P C 1.375 178.730 177.300 0.092 0.000 1.150 115 P CA 2.390 65.555 63.100 0.109 0.000 0.800 115 P CB -0.358 31.399 31.700 0.095 0.000 0.787 116 E N -2.200 118.065 120.200 0.108 0.000 2.150 116 E HA -0.166 4.241 4.350 0.094 0.000 0.193 116 E C 2.422 179.107 176.600 0.142 0.000 0.985 116 E CA 2.747 59.215 56.400 0.112 0.000 0.814 116 E CB -0.963 28.806 29.700 0.114 0.000 0.752 116 E HN 0.607 9.009 8.360 0.117 0.029 0.466 117 L N -1.991 119.330 121.223 0.163 0.000 2.179 117 L HA -0.280 4.217 4.340 0.261 0.000 0.208 117 L C 1.235 178.188 176.870 0.139 0.000 1.096 117 L CA 2.210 57.173 54.840 0.204 0.000 0.779 117 L CB 0.172 42.364 42.059 0.221 0.000 0.922 117 L HN -0.779 7.524 8.230 0.156 0.020 0.443 118 L N -4.468 116.791 121.223 0.059 0.000 2.095 118 L HA -0.333 4.002 4.340 -0.008 0.000 0.204 118 L C 1.664 178.550 176.870 0.027 0.000 1.080 118 L CA 2.648 57.482 54.840 -0.009 0.000 0.759 118 L CB 0.245 42.230 42.059 -0.125 0.000 0.914 118 L HN -0.819 7.361 8.230 0.060 0.086 0.439 119 E N -0.862 119.364 120.200 0.044 0.000 2.267 119 E HA -0.398 3.973 4.350 0.036 0.000 0.197 119 E C 0.724 177.359 176.600 0.058 0.000 0.998 119 E CA 2.931 59.360 56.400 0.048 0.000 0.830 119 E CB -0.401 29.332 29.700 0.054 0.000 0.751 119 E HN 0.320 8.598 8.360 0.051 0.112 0.491 120 A N -3.879 118.989 122.820 0.079 0.000 2.267 120 A HA 0.144 4.507 4.320 0.072 0.000 0.213 120 A C 0.392 178.025 177.584 0.083 0.000 1.192 120 A CA 0.590 52.679 52.037 0.086 0.000 0.851 120 A CB 0.429 19.497 19.000 0.113 0.000 0.881 120 A HN -0.496 7.667 8.150 0.091 0.042 0.494 121 A N -1.453 121.417 122.820 0.082 0.000 2.063 121 A HA -0.043 4.328 4.320 0.086 0.000 0.211 121 A C 1.113 178.728 177.584 0.052 0.000 1.177 121 A CA 1.419 53.504 52.037 0.080 0.000 0.759 121 A CB 0.297 19.358 19.000 0.101 0.000 0.857 121 A HN -0.327 7.666 8.150 0.076 0.203 0.468 122 K N -2.369 118.055 120.400 0.040 0.000 2.487 122 K HA -0.124 4.214 4.320 0.029 0.000 0.192 122 K C 0.478 177.093 176.600 0.025 0.000 1.027 122 K CA 0.802 57.106 56.287 0.029 0.000 1.054 122 K CB -0.258 32.257 32.500 0.023 0.000 0.824 122 K HN -0.333 7.941 8.250 0.040 0.000 0.510 123 I N 1.642 122.229 120.570 0.028 0.000 2.775 123 I HA -0.158 4.022 4.170 0.018 0.000 0.290 123 I C -0.095 176.027 176.117 0.008 0.000 1.203 123 I CA -1.052 60.260 61.300 0.019 0.000 1.433 123 I CB -0.292 37.721 38.000 0.021 0.000 1.354 123 I HN -0.331 7.824 8.210 0.036 0.077 0.579 124 P HA -0.079 4.340 4.420 -0.002 0.000 0.214 124 P C -0.373 176.917 177.300 -0.016 0.000 1.162 124 P CA 1.277 64.374 63.100 -0.005 0.000 0.874 124 P CB 0.190 31.887 31.700 -0.004 0.000 0.784 125 D N 1.232 121.619 120.400 -0.023 0.000 2.368 125 D HA -0.053 4.563 4.640 -0.040 0.000 0.268 125 D C 0.806 177.076 176.300 -0.050 0.000 1.298 125 D CA 0.115 54.091 54.000 -0.041 0.000 0.938 125 D CB -0.422 40.346 40.800 -0.054 0.000 1.101 125 D HN 0.067 8.426 8.370 -0.018 0.000 0.509 126 K N 6.322 126.689 120.400 -0.055 0.000 2.034 126 K HA -0.482 3.807 4.320 -0.052 0.000 0.214 126 K C 1.285 177.828 176.600 -0.096 0.000 1.051 126 K CA 4.273 60.519 56.287 -0.069 0.000 0.931 126 K CB 0.012 32.465 32.500 -0.077 0.000 0.715 126 K HN 0.019 8.240 8.250 -0.049 0.000 0.446 127 T N -0.766 113.717 114.554 -0.117 0.000 2.595 127 T HA -0.380 3.868 4.350 -0.169 0.000 0.264 127 T C 1.776 176.398 174.700 -0.131 0.000 1.058 127 T CA 5.651 67.664 62.100 -0.145 0.000 1.166 127 T CB -0.743 68.025 68.868 -0.167 0.000 0.863 127 T HN 0.073 8.250 8.240 -0.104 0.000 0.415 128 E N 1.171 121.255 120.200 -0.193 0.000 2.086 128 E HA -0.458 3.726 4.350 -0.276 0.000 0.200 128 E C 2.426 179.042 176.600 0.028 0.000 1.012 128 E CA 3.558 59.876 56.400 -0.137 0.000 0.812 128 E CB -0.852 28.795 29.700 -0.088 0.000 0.743 128 E HN 0.118 8.371 8.360 -0.178 0.000 0.453 129 R N -0.911 119.598 120.500 0.015 0.000 2.103 129 R HA -0.296 4.218 4.340 0.054 -0.142 0.242 129 R C 2.676 179.030 176.300 0.090 0.000 1.142 129 R CA 3.431 59.558 56.100 0.044 0.000 0.960 129 R CB -0.158 30.151 30.300 0.015 0.000 0.858 129 R HN 0.065 8.318 8.270 -0.023 0.003 0.439 130 L N -2.817 118.471 121.223 0.108 0.000 2.072 130 L HA -0.357 4.104 4.340 0.200 0.000 0.205 130 L C 2.208 179.341 176.870 0.438 0.000 1.079 130 L CA 2.635 57.606 54.840 0.219 0.000 0.752 130 L CB -0.543 41.465 42.059 -0.085 0.000 0.906 130 L HN -0.274 7.879 8.230 0.048 0.106 0.436 131 H N -0.825 118.390 119.070 0.241 0.000 2.293 131 H HA -0.408 4.355 4.556 0.344 0.000 0.300 131 H C 2.091 177.501 175.328 0.137 0.000 1.082 131 H CA 3.555 59.749 56.048 0.242 0.000 1.308 131 H CB 0.120 29.991 29.762 0.183 0.000 1.375 131 H HN -0.233 8.328 8.280 0.595 0.075 0.495 132 A N -1.300 121.664 122.820 0.239 0.000 1.917 132 A HA -0.262 4.307 4.320 0.144 -0.163 0.219 132 A C 1.987 179.635 177.584 0.107 0.000 1.182 132 A CA 3.144 55.269 52.037 0.147 0.000 0.633 132 A CB -0.417 18.652 19.000 0.117 0.000 0.819 132 A HN 0.492 8.790 8.150 0.247 0.000 0.448 133 L N -5.173 116.084 121.223 0.057 0.000 2.291 133 L HA -0.308 4.078 4.340 0.076 0.000 0.214 133 L C 1.975 178.691 176.870 -0.256 0.000 1.120 133 L CA 2.202 56.989 54.840 -0.089 0.000 0.799 133 L CB -0.472 41.379 42.059 -0.346 0.000 0.925 133 L HN -0.459 7.819 8.230 0.089 0.005 0.446 134 K N -0.794 119.505 120.400 -0.168 0.000 2.167 134 K HA -0.289 3.669 4.320 -0.604 0.000 0.203 134 K C 0.872 177.444 176.600 -0.047 0.000 1.052 134 K CA 2.712 58.863 56.287 -0.226 0.000 0.956 134 K CB -0.004 32.515 32.500 0.031 0.000 0.735 134 K HN -0.162 7.937 8.250 0.019 0.163 0.451 135 E N -3.873 116.350 120.200 0.038 0.000 2.190 135 E HA -0.093 4.295 4.350 0.063 0.000 0.191 135 E C 2.660 179.326 176.600 0.110 0.000 0.978 135 E CA 1.659 58.104 56.400 0.074 0.000 0.839 135 E CB 0.485 30.238 29.700 0.088 0.000 0.787 135 E HN -0.370 7.925 8.360 0.059 0.100 0.473 136 I N 1.431 122.083 120.570 0.137 0.000 2.353 136 I HA -0.325 3.957 4.170 0.186 0.000 0.248 136 I C 1.780 178.095 176.117 0.330 0.000 1.119 136 I CA 3.597 65.026 61.300 0.215 0.000 1.417 136 I CB 0.342 38.488 38.000 0.243 0.000 1.078 136 I HN 0.171 8.448 8.210 0.112 0.000 0.421 137 V N -0.780 119.292 119.914 0.262 0.000 3.186 137 V HA -0.310 3.896 4.120 0.143 0.000 0.270 137 V C 0.163 176.486 176.094 0.381 0.000 1.149 137 V CA 2.604 65.025 62.300 0.203 0.000 1.160 137 V CB -0.076 31.763 31.823 0.027 0.000 0.758 137 V HN -0.487 7.800 8.190 0.161 0.000 0.516 138 K N -2.547 118.020 120.400 0.279 0.000 2.228 138 K HA -0.169 4.225 4.320 0.123 0.000 0.202 138 K C 0.901 177.593 176.600 0.154 0.000 1.051 138 K CA 2.295 58.680 56.287 0.164 0.000 0.960 138 K CB 0.030 32.573 32.500 0.072 0.000 0.743 138 K HN -0.716 7.463 8.250 0.220 0.203 0.458 139 K N -3.616 116.924 120.400 0.234 0.000 2.365 139 K HA -0.134 4.230 4.320 0.073 0.000 0.199 139 K C 0.219 176.930 176.600 0.185 0.000 1.045 139 K CA 0.650 57.029 56.287 0.154 0.000 0.962 139 K CB 0.135 32.703 32.500 0.114 0.000 0.759 139 K HN -0.635 7.655 8.250 0.286 0.132 0.469 140 F N -1.407 118.614 119.950 0.119 0.000 2.629 140 F HA -0.242 4.340 4.527 0.091 0.000 0.377 140 F C 0.543 176.437 175.800 0.156 0.000 1.101 140 F CA 0.791 58.884 58.000 0.154 0.000 1.301 140 F CB 0.112 39.267 39.000 0.259 0.000 1.062 140 F HN -1.074 7.524 8.300 0.755 0.156 0.583 141 H N 5.874 125.017 119.070 0.121 0.000 3.163 141 H HA -0.182 4.390 4.556 0.027 0.000 0.321 141 H C -0.201 175.220 175.328 0.155 0.000 1.006 141 H CA 1.668 57.765 56.048 0.081 0.000 1.344 141 H CB 0.973 30.753 29.762 0.030 0.000 1.272 141 H HN 0.409 8.796 8.280 0.179 0.000 0.594 142 P HA -0.037 4.352 4.420 -0.051 0.000 0.234 142 P C -0.507 176.859 177.300 0.110 0.000 1.167 142 P CA 1.773 64.838 63.100 -0.057 0.000 0.763 142 P CB 0.358 31.948 31.700 -0.184 0.000 0.835 143 V N -1.299 118.772 119.914 0.262 0.000 2.672 143 V HA -0.151 4.083 4.120 0.190 0.000 0.242 143 V C 0.997 177.253 176.094 0.271 0.000 1.059 143 V CA 2.820 65.288 62.300 0.281 0.000 1.081 143 V CB 0.645 32.670 31.823 0.337 0.000 0.752 143 V HN -0.665 7.678 8.190 0.378 0.074 0.472 144 N N -0.946 117.947 118.700 0.322 0.000 2.395 144 N HA -0.195 4.681 4.740 0.227 0.000 0.175 144 N C 1.255 176.986 175.510 0.368 0.000 1.029 144 N CA 3.223 56.443 53.050 0.282 0.000 0.897 144 N CB 0.492 39.105 38.487 0.211 0.000 0.991 144 N HN -0.341 8.288 8.380 0.414 0.000 0.441 145 Y N 1.687 122.157 120.300 0.283 0.000 2.114 145 Y HA -0.563 4.195 4.550 0.346 0.000 0.282 145 Y C 0.956 176.978 175.900 0.202 0.000 1.165 145 Y CA 4.635 62.897 58.100 0.270 0.000 1.148 145 Y CB -0.059 38.524 38.460 0.205 0.000 0.972 145 Y HN 0.318 8.796 8.280 0.506 0.106 0.504 146 D N -2.215 118.423 120.400 0.396 0.000 2.092 146 D HA -0.377 4.379 4.640 0.194 0.000 0.193 146 D C 2.327 178.708 176.300 0.136 0.000 0.994 146 D CA 4.167 58.303 54.000 0.227 0.000 0.828 146 D CB -0.621 40.309 40.800 0.218 0.000 0.963 146 D HN 0.014 8.675 8.370 0.486 0.000 0.450 147 V N 0.126 120.158 119.914 0.197 0.000 2.237 147 V HA -0.542 3.710 4.120 0.220 0.000 0.245 147 V C 1.669 177.946 176.094 0.304 0.000 1.046 147 V CA 3.850 66.303 62.300 0.255 0.000 1.007 147 V CB -0.025 31.966 31.823 0.280 0.000 0.638 147 V HN -0.951 7.369 8.190 0.218 0.000 0.445 148 F N -0.154 119.864 119.950 0.114 0.000 2.111 148 F HA -0.512 4.046 4.527 0.051 0.000 0.300 148 F C 1.684 177.425 175.800 -0.098 0.000 1.088 148 F CA 3.070 61.068 58.000 -0.004 0.000 1.243 148 F CB -0.300 38.641 39.000 -0.098 0.000 0.996 148 F HN 0.309 8.859 8.300 0.416 0.000 0.483 149 R N -2.186 118.172 120.500 -0.236 0.000 2.066 149 R HA -0.469 3.580 4.340 -0.484 0.000 0.232 149 R C 2.255 178.485 176.300 -0.116 0.000 1.131 149 R CA 3.702 59.612 56.100 -0.316 0.000 0.955 149 R CB -0.082 30.015 30.300 -0.338 0.000 0.851 149 R HN -0.469 7.709 8.270 -0.130 0.014 0.432 150 Y N 1.152 121.400 120.300 -0.086 0.000 2.128 150 Y HA -0.408 4.139 4.550 -0.004 0.000 0.284 150 Y C 2.116 178.004 175.900 -0.020 0.000 1.154 150 Y CA 3.653 61.743 58.100 -0.016 0.000 1.149 150 Y CB -0.086 38.392 38.460 0.031 0.000 0.976 150 Y HN -0.426 7.883 8.280 0.166 0.071 0.505 151 V N -1.369 118.611 119.914 0.111 0.000 2.219 151 V HA -0.681 3.460 4.120 0.036 0.000 0.248 151 V C 2.308 178.297 176.094 -0.174 0.000 1.053 151 V CA 4.493 66.773 62.300 -0.034 0.000 1.009 151 V CB -0.168 31.590 31.823 -0.110 0.000 0.636 151 V HN 0.088 8.407 8.190 0.214 0.000 0.445 152 I N -0.805 119.595 120.570 -0.284 0.000 2.145 152 I HA -0.634 3.353 4.170 -0.305 0.000 0.244 152 I C 1.734 177.744 176.117 -0.177 0.000 1.075 152 I CA 4.035 65.162 61.300 -0.288 0.000 1.332 152 I CB -0.559 37.211 38.000 -0.383 0.000 1.033 152 I HN -0.594 7.414 8.210 -0.337 0.000 0.410 153 T N 0.146 114.599 114.554 -0.168 0.000 2.751 153 T HA -0.480 3.804 4.350 -0.111 0.000 0.268 153 T C 1.712 176.327 174.700 -0.142 0.000 1.045 153 T CA 4.755 66.769 62.100 -0.144 0.000 1.142 153 T CB -0.196 68.573 68.868 -0.165 0.000 0.851 153 T HN -0.077 8.051 8.240 -0.188 0.000 0.474 154 H N 1.693 120.628 119.070 -0.224 0.000 2.355 154 H HA -0.057 4.405 4.556 -0.158 0.000 0.303 154 H C 2.056 177.337 175.328 -0.079 0.000 1.061 154 H CA 3.076 59.032 56.048 -0.153 0.000 1.368 154 H CB 0.383 30.071 29.762 -0.123 0.000 1.412 154 H HN -0.367 7.724 8.280 -0.076 0.143 0.523 155 L N -0.653 120.524 121.223 -0.075 0.000 2.021 155 L HA -0.618 3.726 4.340 0.007 0.000 0.215 155 L C 1.979 178.769 176.870 -0.134 0.000 1.074 155 L CA 3.351 58.142 54.840 -0.082 0.000 0.760 155 L CB -0.621 41.367 42.059 -0.118 0.000 0.889 155 L HN -0.458 7.697 8.230 -0.005 0.072 0.433 156 N N -2.288 116.331 118.700 -0.135 0.000 2.091 156 N HA -0.360 4.329 4.740 -0.084 0.000 0.193 156 N C 2.681 178.106 175.510 -0.142 0.000 1.021 156 N CA 3.219 56.197 53.050 -0.120 0.000 0.862 156 N CB -0.265 38.145 38.487 -0.129 0.000 1.018 156 N HN -0.090 8.209 8.380 -0.134 0.000 0.429 157 R N -1.694 118.682 120.500 -0.207 0.000 2.096 157 R HA -0.306 3.935 4.340 -0.165 0.000 0.235 157 R C 1.826 178.010 176.300 -0.194 0.000 1.127 157 R CA 3.112 59.085 56.100 -0.212 0.000 0.968 157 R CB -0.202 29.940 30.300 -0.264 0.000 0.861 157 R HN -0.400 7.617 8.270 -0.240 0.108 0.440 158 V N -0.180 119.597 119.914 -0.229 0.000 2.358 158 V HA -0.320 3.721 4.120 -0.132 0.000 0.246 158 V C 1.705 177.784 176.094 -0.026 0.000 1.047 158 V CA 2.979 65.203 62.300 -0.126 0.000 1.035 158 V CB -0.427 31.354 31.823 -0.070 0.000 0.658 158 V HN -0.228 7.657 8.190 -0.306 0.121 0.452 159 S N -1.333 114.361 115.700 -0.010 0.000 2.399 159 S HA -0.236 4.538 4.470 0.102 -0.242 0.231 159 S C 2.978 177.615 174.600 0.061 0.000 1.022 159 S CA 3.067 61.298 58.200 0.052 0.000 0.983 159 S CB -0.149 63.068 63.200 0.028 0.000 0.803 159 S HN -0.143 8.140 8.310 -0.045 0.000 0.480 160 Q N 2.070 121.859 119.800 -0.018 0.000 2.020 160 Q HA -0.351 3.975 4.340 -0.024 0.000 0.202 160 Q C 1.403 177.349 176.000 -0.089 0.000 0.982 160 Q CA 3.326 59.101 55.803 -0.046 0.000 0.838 160 Q CB 0.135 28.825 28.738 -0.080 0.000 0.899 160 Q HN -0.657 7.462 8.270 -0.052 0.120 0.423 161 Q N -3.568 116.177 119.800 -0.092 0.000 2.296 161 Q HA 0.191 4.418 4.340 -0.188 0.000 0.273 161 Q C 1.453 177.384 176.000 -0.114 0.000 0.900 161 Q CA -1.310 54.413 55.803 -0.133 0.000 0.993 161 Q CB -1.077 27.601 28.738 -0.099 0.000 1.132 161 Q HN -0.664 7.561 8.270 -0.075 0.000 0.439 162 H N -0.458 118.597 119.070 -0.025 0.000 2.422 162 H HA -0.217 4.660 4.556 -0.006 -0.324 0.298 162 H C 0.795 176.118 175.328 -0.008 0.000 1.098 162 H CA 2.610 58.652 56.048 -0.010 0.000 1.315 162 H CB -0.704 29.056 29.762 -0.003 0.000 1.382 162 H HN -0.529 7.614 8.280 -0.067 0.097 0.523 163 K N -1.805 118.310 120.400 -0.475 0.000 2.286 163 K HA -0.310 4.030 4.320 0.034 0.000 0.203 163 K C 0.957 177.533 176.600 -0.039 0.000 1.045 163 K CA 2.603 58.774 56.287 -0.194 0.000 0.935 163 K CB -0.653 31.672 32.500 -0.293 0.000 0.737 163 K HN 0.065 7.728 8.250 -0.937 0.025 0.460 164 I N -3.531 117.011 120.570 -0.047 0.000 2.900 164 I HA -0.154 4.006 4.170 -0.016 0.000 0.251 164 I C 1.071 177.194 176.117 0.010 0.000 1.102 164 I CA 1.633 62.920 61.300 -0.020 0.000 1.457 164 I CB 0.917 38.893 38.000 -0.040 0.000 1.285 164 I HN -0.170 7.815 8.210 -0.082 0.175 0.459 165 N N -1.667 117.043 118.700 0.018 0.000 2.434 165 N HA -0.119 4.679 4.740 0.020 -0.046 0.196 165 N C 0.263 175.814 175.510 0.068 0.000 1.183 165 N CA 0.389 53.458 53.050 0.032 0.000 0.849 165 N CB -0.330 38.171 38.487 0.022 0.000 0.992 165 N HN -0.555 7.828 8.380 0.005 0.000 0.460 166 L N -5.253 116.027 121.223 0.095 0.000 4.061 166 L HA -0.403 4.144 4.340 0.178 -0.100 0.466 166 L C -1.293 175.635 176.870 0.095 0.000 1.140 166 L CA 1.001 55.909 54.840 0.114 0.000 0.764 166 L CB -2.547 39.554 42.059 0.070 0.000 1.688 166 L HN -0.102 8.061 8.230 0.088 0.119 0.855 167 M N -1.780 117.895 119.600 0.124 0.000 2.224 167 M HA 0.251 4.776 4.480 0.075 0.000 0.281 167 M C -1.079 175.287 176.300 0.110 0.000 1.025 167 M CA -1.445 53.918 55.300 0.105 0.000 0.954 167 M CB 3.305 35.985 32.600 0.134 0.000 1.639 167 M HN -0.779 7.715 8.290 0.170 -0.101 0.461 168 T N -0.261 114.316 114.554 0.039 0.000 2.922 168 T HA 0.319 4.713 4.350 0.072 0.000 0.281 168 T C 0.494 175.222 174.700 0.046 0.000 1.005 168 T CA -2.501 59.608 62.100 0.016 0.000 0.982 168 T CB 2.899 71.701 68.868 -0.110 0.000 1.158 168 T HN 0.083 8.333 8.240 0.017 0.000 0.566 169 A N 0.472 123.313 122.820 0.036 0.000 1.940 169 A HA -0.279 4.069 4.320 0.046 0.000 0.219 169 A C 1.784 179.407 177.584 0.065 0.000 1.176 169 A CA 3.283 55.347 52.037 0.044 0.000 0.631 169 A CB -0.338 18.680 19.000 0.030 0.000 0.814 169 A HN 0.749 8.914 8.150 0.025 0.000 0.446 170 D N -2.192 118.239 120.400 0.051 0.000 2.097 170 D HA -0.222 4.576 4.640 0.088 -0.105 0.197 170 D C 2.242 178.591 176.300 0.083 0.000 0.984 170 D CA 3.310 57.349 54.000 0.066 0.000 0.826 170 D CB -0.389 40.432 40.800 0.036 0.000 0.973 170 D HN -0.522 7.850 8.370 0.025 0.013 0.460 171 N N 0.133 118.872 118.700 0.066 0.000 2.069 171 N HA -0.267 4.515 4.740 0.070 0.000 0.191 171 N C 2.079 177.672 175.510 0.137 0.000 1.031 171 N CA 2.665 55.765 53.050 0.082 0.000 0.852 171 N CB -0.257 38.269 38.487 0.065 0.000 1.018 171 N HN -0.784 7.621 8.380 0.040 0.000 0.423 172 L N -1.489 119.831 121.223 0.162 0.000 2.046 172 L HA -0.318 4.204 4.340 0.303 0.000 0.208 172 L C 1.972 179.001 176.870 0.265 0.000 1.077 172 L CA 3.435 58.421 54.840 0.242 0.000 0.747 172 L CB -0.265 41.914 42.059 0.199 0.000 0.896 172 L HN 0.363 8.671 8.230 0.130 0.000 0.432 173 S N -1.431 114.382 115.700 0.189 0.000 2.419 173 S HA -0.355 4.223 4.470 0.180 0.000 0.235 173 S C 1.160 175.944 174.600 0.307 0.000 1.019 173 S CA 3.395 61.723 58.200 0.214 0.000 0.982 173 S CB -0.154 63.161 63.200 0.191 0.000 0.789 173 S HN -0.279 8.121 8.310 0.149 0.000 0.490 174 I N -1.164 119.559 120.570 0.255 0.000 2.494 174 I HA -0.187 4.192 4.170 0.349 0.000 0.250 174 I C 2.176 178.425 176.117 0.220 0.000 1.112 174 I CA 2.613 64.058 61.300 0.241 0.000 1.438 174 I CB 0.312 38.376 38.000 0.108 0.000 1.111 174 I HN -0.987 7.201 8.210 0.201 0.142 0.431 175 C N 0.394 119.793 119.300 0.166 0.000 2.422 175 C HA -0.397 4.078 4.460 0.025 0.000 0.286 175 C C 0.590 175.528 174.990 -0.087 0.000 1.412 175 C CA 5.420 64.465 59.018 0.045 0.000 1.786 175 C CB -0.292 27.470 27.740 0.037 0.000 1.835 175 C HN 0.160 8.499 8.230 0.183 0.000 0.533 176 F N -2.889 117.076 119.950 0.026 0.000 2.704 176 F HA -0.010 4.471 4.527 -0.077 0.000 0.304 176 F C 0.213 176.045 175.800 0.052 0.000 1.094 176 F CA 0.559 58.540 58.000 -0.032 0.000 1.275 176 F CB 0.076 39.006 39.000 -0.118 0.000 1.073 176 F HN -0.479 7.975 8.300 0.354 0.059 0.586 177 W N 1.572 122.937 121.300 0.109 0.000 2.318 177 W HA -0.264 4.447 4.660 0.085 0.000 0.313 177 W C -1.129 175.414 176.519 0.040 0.000 1.221 177 W CA 6.539 63.925 57.345 0.069 0.000 1.266 177 W CB -2.091 27.395 29.460 0.043 0.000 1.150 177 W HN -0.207 8.026 8.180 0.420 0.199 0.496 178 P HA -0.282 4.329 4.420 0.320 0.000 0.211 178 P C 0.325 177.691 177.300 0.110 0.000 1.181 178 P CA 2.713 65.949 63.100 0.227 0.000 0.929 178 P CB -0.504 31.264 31.700 0.113 0.000 0.789 179 T N -3.183 111.410 114.554 0.066 0.000 2.588 179 T HA -0.312 4.081 4.350 0.072 0.000 0.261 179 T C 2.192 176.916 174.700 0.041 0.000 1.069 179 T CA 3.233 65.375 62.100 0.071 0.000 1.172 179 T CB -0.295 68.633 68.868 0.099 0.000 0.863 179 T HN -0.213 8.052 8.240 0.042 0.000 0.408 180 L N -0.787 120.448 121.223 0.020 0.000 2.113 180 L HA -0.428 3.891 4.340 -0.036 0.000 0.221 180 L C 0.104 176.862 176.870 -0.186 0.000 1.084 180 L CA 3.085 57.873 54.840 -0.087 0.000 0.787 180 L CB 0.100 42.070 42.059 -0.149 0.000 0.893 180 L HN -0.385 7.893 8.230 0.079 0.000 0.440 181 M N -5.726 113.708 119.600 -0.277 0.000 2.206 181 M HA 0.139 4.538 4.480 -0.134 0.000 0.272 181 M C -2.187 174.039 176.300 -0.122 0.000 1.012 181 M CA -0.423 54.696 55.300 -0.302 0.000 0.986 181 M CB 3.062 35.241 32.600 -0.701 0.000 1.740 181 M HN -0.384 7.744 8.290 -0.255 0.009 0.472 182 R N 5.140 125.659 120.500 0.032 0.000 2.664 182 R HA 0.372 4.818 4.340 0.176 0.000 0.281 182 R C -1.688 174.698 176.300 0.144 0.000 1.383 182 R CA -3.680 52.491 56.100 0.119 0.000 1.563 182 R CB -0.527 29.831 30.300 0.097 0.000 1.131 182 R HN 0.204 8.501 8.270 0.045 0.000 0.599 183 P HA 0.051 4.550 4.420 0.132 0.000 0.288 183 P C -1.430 175.951 177.300 0.136 0.000 1.291 183 P CA -0.801 62.392 63.100 0.155 0.000 0.766 183 P CB 0.677 32.488 31.700 0.185 0.000 1.242 184 D N -0.823 119.628 120.400 0.085 0.000 2.256 184 D HA 0.027 4.777 4.640 0.184 0.000 0.250 184 D C 0.919 177.242 176.300 0.039 0.000 1.093 184 D CA -0.447 53.603 54.000 0.084 0.000 0.882 184 D CB 1.490 42.277 40.800 -0.022 0.000 1.185 184 D HN 0.014 8.417 8.370 0.055 0.000 0.437 185 F N 0.555 120.523 119.950 0.030 0.000 2.141 185 F HA -0.230 4.308 4.527 0.019 0.000 0.300 185 F C 0.602 176.413 175.800 0.017 0.000 1.079 185 F CA 0.874 58.885 58.000 0.020 0.000 1.264 185 F CB -0.195 38.812 39.000 0.013 0.000 1.011 185 F HN 0.076 8.753 8.300 0.629 0.000 0.487 186 E N 0.375 119.935 120.200 -1.066 0.000 2.261 186 E HA -0.049 4.000 4.350 -0.502 0.000 0.308 186 E C -0.176 176.239 176.600 -0.307 0.000 1.400 186 E CA -1.149 54.811 56.400 -0.733 0.000 1.542 186 E CB -2.142 26.997 29.700 -0.936 0.000 1.369 186 E HN -0.417 7.249 8.360 -1.487 -0.199 0.493 187 N N 1.713 120.317 118.700 -0.161 0.000 2.336 187 N HA -0.080 4.627 4.740 -0.055 0.000 0.189 187 N C -0.347 175.148 175.510 -0.025 0.000 1.113 187 N CA 0.252 53.265 53.050 -0.063 0.000 0.858 187 N CB 0.601 39.072 38.487 -0.027 0.000 0.970 187 N HN -0.378 7.854 8.380 -0.144 0.062 0.471 188 R N -3.452 117.021 120.500 -0.044 0.000 2.397 188 R HA 0.129 4.475 4.340 0.011 0.000 0.241 188 R C 0.132 176.430 176.300 -0.004 0.000 0.914 188 R CA -0.806 55.286 56.100 -0.014 0.000 1.071 188 R CB -0.099 30.186 30.300 -0.025 0.000 1.116 188 R HN 0.030 8.173 8.270 -0.088 0.074 0.524 189 E N -1.176 119.019 120.200 -0.009 0.000 2.267 189 E HA -0.242 4.099 4.350 -0.015 0.000 0.197 189 E C -0.090 176.565 176.600 0.093 0.000 0.998 189 E CA 1.695 58.103 56.400 0.014 0.000 0.830 189 E CB -0.103 29.594 29.700 -0.006 0.000 0.751 189 E HN -0.349 7.924 8.360 -0.044 0.060 0.491 190 F N -1.691 118.237 119.950 -0.036 0.000 2.654 190 F HA 0.114 4.632 4.527 -0.016 0.000 0.334 190 F C -1.288 174.508 175.800 -0.006 0.000 1.078 190 F CA -1.744 56.246 58.000 -0.017 0.000 0.986 190 F CB 1.917 40.910 39.000 -0.011 0.000 1.362 190 F HN -0.833 7.525 8.300 0.176 0.047 0.498 191 L N 1.662 122.848 121.223 -0.062 0.000 2.667 191 L HA -0.128 4.166 4.340 -0.077 0.000 0.296 191 L C -0.596 176.355 176.870 0.135 0.000 1.252 191 L CA 1.038 55.896 54.840 0.030 0.000 0.891 191 L CB 0.085 42.201 42.059 0.095 0.000 1.141 191 L HN -0.069 7.704 8.230 -0.762 0.000 0.501 192 S N 2.245 117.987 115.700 0.069 0.000 2.437 192 S HA 0.158 4.689 4.470 0.101 0.000 0.305 192 S C -0.246 174.405 174.600 0.084 0.000 1.109 192 S CA -0.658 57.588 58.200 0.076 0.000 1.099 192 S CB 0.725 63.947 63.200 0.037 0.000 1.004 192 S HN -0.068 8.259 8.310 0.030 0.000 0.475 193 T N 7.538 122.163 114.554 0.117 0.000 2.928 193 T HA 0.193 4.595 4.350 0.088 0.000 0.284 193 T C -0.588 174.179 174.700 0.112 0.000 1.008 193 T CA -0.625 61.544 62.100 0.114 0.000 1.057 193 T CB 1.292 70.243 68.868 0.138 0.000 1.018 193 T HN 0.074 8.399 8.240 0.142 0.000 0.493 194 T N 4.854 119.458 114.554 0.083 0.000 2.934 194 T HA -0.196 4.190 4.350 0.061 0.000 0.321 194 T C 0.079 174.848 174.700 0.115 0.000 1.080 194 T CA 0.878 63.023 62.100 0.075 0.000 1.132 194 T CB 0.767 69.667 68.868 0.053 0.000 1.039 194 T HN 0.114 8.396 8.240 0.070 0.000 0.543 195 K N 4.639 125.101 120.400 0.103 0.000 2.086 195 K HA -0.159 4.295 4.320 0.223 0.000 0.215 195 K C -0.070 176.624 176.600 0.157 0.000 1.207 195 K CA 0.785 57.158 56.287 0.144 0.000 1.206 195 K CB -2.085 30.454 32.500 0.066 0.000 1.253 195 K HN 0.494 8.785 8.250 0.068 0.000 0.234 196 I N 1.671 122.340 120.570 0.164 0.000 2.867 196 I HA -0.279 3.942 4.170 0.086 0.000 0.265 196 I C 0.654 176.840 176.117 0.115 0.000 1.162 196 I CA 1.325 62.670 61.300 0.076 0.000 1.471 196 I CB 0.360 38.344 38.000 -0.026 0.000 1.123 196 I HN 0.417 8.717 8.210 0.208 0.035 0.440 197 H N 0.468 119.655 119.070 0.195 0.000 2.257 197 H HA -0.470 4.201 4.556 0.192 0.000 0.292 197 H C 2.027 177.549 175.328 0.322 0.000 1.075 197 H CA 4.027 60.237 56.048 0.270 0.000 1.212 197 H CB -0.576 29.450 29.762 0.440 0.000 1.354 197 H HN 0.134 8.570 8.280 0.260 0.000 0.497 198 Q N -1.692 118.440 119.800 0.554 0.000 2.142 198 Q HA -0.388 4.298 4.340 0.576 0.000 0.213 198 Q C 2.410 178.578 176.000 0.280 0.000 1.004 198 Q CA 4.033 60.085 55.803 0.415 0.000 0.883 198 Q CB -0.584 28.290 28.738 0.226 0.000 0.939 198 Q HN 0.311 8.929 8.270 0.580 0.000 0.413 199 S N -2.316 113.513 115.700 0.215 0.000 2.359 199 S HA -0.316 4.242 4.470 0.146 0.000 0.224 199 S C 1.952 176.674 174.600 0.204 0.000 1.035 199 S CA 3.178 61.479 58.200 0.167 0.000 1.018 199 S CB -0.770 62.505 63.200 0.123 0.000 0.876 199 S HN -0.041 8.395 8.310 0.211 0.001 0.448 200 V N 1.385 121.437 119.914 0.229 0.000 2.215 200 V HA -0.545 3.762 4.120 0.312 0.000 0.249 200 V C 1.769 178.105 176.094 0.403 0.000 1.054 200 V CA 3.584 66.067 62.300 0.307 0.000 1.012 200 V CB -0.806 31.175 31.823 0.263 0.000 0.639 200 V HN -0.347 7.888 8.190 0.210 0.082 0.448 201 V N -0.752 119.329 119.914 0.280 0.000 2.220 201 V HA -0.657 3.565 4.120 0.169 0.000 0.250 201 V C 1.822 178.073 176.094 0.261 0.000 1.056 201 V CA 4.598 67.032 62.300 0.225 0.000 1.016 201 V CB -0.506 31.407 31.823 0.151 0.000 0.639 201 V HN -0.841 7.492 8.190 0.237 0.000 0.446 202 E N -1.333 118.995 120.200 0.215 0.000 2.108 202 E HA -0.467 3.963 4.350 0.133 0.000 0.203 202 E C 2.377 179.077 176.600 0.167 0.000 1.022 202 E CA 3.171 59.668 56.400 0.162 0.000 0.823 202 E CB -0.498 29.283 29.700 0.135 0.000 0.744 202 E HN -0.571 7.922 8.360 0.222 0.000 0.456 203 T N 1.990 116.668 114.554 0.206 0.000 2.580 203 T HA -0.343 4.058 4.350 0.085 0.000 0.265 203 T C 1.820 176.649 174.700 0.215 0.000 1.063 203 T CA 4.759 66.959 62.100 0.166 0.000 1.170 203 T CB -0.443 68.522 68.868 0.163 0.000 0.863 203 T HN 0.285 8.483 8.240 0.228 0.179 0.418 204 F N 0.682 120.757 119.950 0.209 0.000 2.063 204 F HA -0.514 4.444 4.527 0.719 0.000 0.296 204 F C 1.994 177.907 175.800 0.188 0.000 1.093 204 F CA 4.111 62.309 58.000 0.330 0.000 1.229 204 F CB -0.611 38.472 39.000 0.139 0.000 0.971 204 F HN -0.485 8.217 8.300 0.670 0.000 0.491 205 I N -3.161 117.548 120.570 0.232 0.000 2.113 205 I HA -0.746 3.443 4.170 0.031 0.000 0.238 205 I C 2.433 178.546 176.117 -0.007 0.000 1.070 205 I CA 4.258 65.594 61.300 0.060 0.000 1.332 205 I CB -0.461 37.547 38.000 0.014 0.000 1.044 205 I HN -0.667 7.703 8.210 0.263 -0.003 0.402 206 Q N -1.329 118.469 119.800 -0.005 0.000 2.096 206 Q HA -0.340 3.967 4.340 -0.054 0.000 0.208 206 Q C 2.046 177.963 176.000 -0.138 0.000 0.993 206 Q CA 3.031 58.800 55.803 -0.057 0.000 0.862 206 Q CB -0.126 28.590 28.738 -0.038 0.000 0.915 206 Q HN -0.277 8.017 8.270 0.039 0.000 0.416 207 Q N -4.033 115.633 119.800 -0.223 0.000 2.225 207 Q HA 0.287 4.427 4.340 -0.334 0.000 0.259 207 Q C 0.391 175.842 176.000 -0.914 0.000 0.872 207 Q CA -1.783 53.732 55.803 -0.479 0.000 1.042 207 Q CB -0.694 27.709 28.738 -0.558 0.000 1.142 207 Q HN 0.191 8.375 8.270 -0.144 -0.000 0.463 208 C N -0.122 118.959 119.300 -0.366 0.000 2.432 208 C HA -0.247 4.392 4.460 0.282 -0.010 0.282 208 C C 0.911 175.902 174.990 0.001 0.000 1.388 208 C CA 2.237 61.224 59.018 -0.052 0.000 1.777 208 C CB -0.364 27.413 27.740 0.061 0.000 1.882 208 C HN 0.021 7.935 8.230 -0.194 0.199 0.520 209 Q N -1.119 118.617 119.800 -0.106 0.000 2.107 209 Q HA -0.108 4.432 4.340 0.334 0.000 0.195 209 Q C 2.380 178.438 176.000 0.097 0.000 0.964 209 Q CA 2.496 58.343 55.803 0.073 0.000 0.833 209 Q CB -0.824 27.855 28.738 -0.099 0.000 0.910 209 Q HN 0.116 8.226 8.270 -0.196 0.043 0.465 210 F N 1.527 121.345 119.950 -0.220 0.000 2.141 210 F HA -0.360 4.134 4.527 -0.087 -0.019 0.300 210 F C 1.606 177.358 175.800 -0.080 0.000 1.079 210 F CA 2.758 60.646 58.000 -0.188 0.000 1.264 210 F CB -0.244 38.583 39.000 -0.289 0.000 1.011 210 F HN -0.097 8.181 8.300 -0.037 0.000 0.487 211 F N -2.601 117.314 119.950 -0.058 0.000 2.027 211 F HA -0.527 3.789 4.527 -0.351 0.000 0.297 211 F C 1.510 177.228 175.800 -0.138 0.000 1.129 211 F CA 3.543 61.446 58.000 -0.162 0.000 1.195 211 F CB -0.980 38.040 39.000 0.034 0.000 0.960 211 F HN -0.747 7.262 8.300 -0.448 0.022 0.485 212 F N -2.394 117.586 119.950 0.051 0.000 2.480 212 F HA -0.213 4.248 4.527 -0.109 0.000 0.280 212 F C 1.114 176.837 175.800 -0.130 0.000 1.002 212 F CA 1.343 59.297 58.000 -0.077 0.000 1.325 212 F CB 1.088 40.030 39.000 -0.095 0.000 1.134 212 F HN -0.784 7.773 8.300 0.428 0.000 0.646 213 Y N -3.494 116.829 120.300 0.038 0.000 2.256 213 Y HA -0.292 4.209 4.550 -0.082 0.000 0.288 213 Y C 0.033 175.849 175.900 -0.139 0.000 1.155 213 Y CA 2.268 60.334 58.100 -0.057 0.000 1.203 213 Y CB 0.226 38.688 38.460 0.002 0.000 0.980 213 Y HN -0.325 8.205 8.280 0.416 0.000 0.530 214 N N -3.688 114.991 118.700 -0.035 0.000 2.818 214 N HA -0.285 4.407 4.740 -0.294 -0.128 0.250 214 N C -1.149 174.383 175.510 0.037 0.000 1.108 214 N CA 0.334 53.313 53.050 -0.119 0.000 0.745 214 N CB -1.197 37.191 38.487 -0.166 0.000 1.104 214 N HN -0.242 7.932 8.380 -0.023 0.193 0.557 215 G N -2.846 106.006 108.800 0.087 0.000 2.398 215 G HA2 -0.110 3.878 3.960 0.046 0.000 0.246 215 G HA3 -0.110 3.868 3.960 0.030 0.000 0.246 215 G C -0.601 174.352 174.900 0.088 0.000 1.289 215 G CA -0.600 44.539 45.100 0.064 0.000 0.869 215 G HN -0.384 8.001 8.290 0.106 -0.031 0.543 216 E N 1.255 121.485 120.200 0.050 0.000 2.598 216 E HA -0.358 4.032 4.350 0.065 0.000 0.273 216 E C -0.001 176.598 176.600 -0.001 0.000 1.029 216 E CA 0.694 57.116 56.400 0.036 0.000 0.985 216 E CB 0.790 30.494 29.700 0.006 0.000 0.988 216 E HN -0.080 8.299 8.360 0.031 0.000 0.460 217 I N 1.973 122.518 120.570 -0.041 0.000 2.494 217 I HA -0.208 4.045 4.170 -0.166 -0.183 0.289 217 I C 0.598 176.661 176.117 -0.090 0.000 1.106 217 I CA 0.653 61.882 61.300 -0.119 0.000 1.369 217 I CB -0.613 37.288 38.000 -0.164 0.000 1.410 217 I HN 0.275 8.471 8.210 -0.023 0.000 0.523 218 V N 4.121 123.979 119.914 -0.094 0.000 3.295 218 V HA 0.273 4.359 4.120 -0.057 0.000 0.308 218 V C -0.609 175.444 176.094 -0.068 0.000 1.068 218 V CA -0.935 61.322 62.300 -0.071 0.000 1.062 218 V CB 1.550 33.332 31.823 -0.068 0.000 1.162 218 V HN 0.114 8.235 8.190 -0.115 0.000 0.456 219 E N 0.000 120.172 120.200 -0.047 0.000 2.725 219 E HA 0.000 4.323 4.350 -0.044 0.000 0.291 219 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 219 E CB 0.000 29.681 29.700 -0.032 0.000 0.812 219 E HN 0.000 8.336 8.360 -0.040 0.000 0.440