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 2wc2_1_B DATA FIRST_RESID 1 DATA SEQUENCE VLGKPQTDPT LEWFLSHCHI HKYPSKSTLI HQGEKAETLY YIVKGSVAVL DATA SEQUENCE IKDEEGKEMI LSYLNQGDFI GELGLFEEGQ ERSAWVRAKT ACEVAEISYK DATA SEQUENCE KFRQLIQVNP DILMRLSAQM ARRLQVTSEK VGNLAFLDVT GRIAQTLLNL DATA SEQUENCE AKQPDAMTHP DGMQIKITRQ EIGQIVGCSR ETVGRILKML EDQNLISAHG DATA SEQUENCE KTIVVYGTR 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 V HA 0.000 4.105 4.120 -0.025 0.000 0.244 1 V C 0.000 176.080 176.094 -0.023 0.000 1.182 1 V CA 0.000 62.281 62.300 -0.031 0.000 1.235 1 V CB 0.000 31.806 31.823 -0.029 0.000 1.184 2 L N 2.696 123.909 121.223 -0.016 0.000 2.358 2 L HA 0.334 4.663 4.340 -0.018 0.000 0.268 2 L C 0.529 177.393 176.870 -0.010 0.000 1.032 2 L CA 0.045 54.877 54.840 -0.014 0.000 0.805 2 L CB 0.738 42.789 42.059 -0.012 0.000 1.253 2 L HN -0.159 8.064 8.230 -0.012 0.000 0.452 3 G N -0.209 108.585 108.800 -0.010 0.000 2.268 3 G HA2 -0.286 3.672 3.960 -0.005 0.000 0.240 3 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.240 3 G C -1.043 173.853 174.900 -0.007 0.000 1.010 3 G CA -0.130 44.965 45.100 -0.007 0.000 0.618 3 G HN 0.395 8.678 8.290 -0.012 0.000 0.516 4 K N 0.616 121.011 120.400 -0.008 0.000 2.328 4 K HA 0.470 4.787 4.320 -0.006 0.000 0.246 4 K C -2.380 174.215 176.600 -0.009 0.000 0.955 4 K CA -3.315 52.967 56.287 -0.008 0.000 0.817 4 K CB 0.941 33.437 32.500 -0.006 0.000 1.208 4 K HN -0.287 7.856 8.250 -0.010 0.100 0.432 5 P HA 0.104 4.518 4.420 -0.011 0.000 0.264 5 P C -1.085 176.210 177.300 -0.007 0.000 1.537 5 P CA 0.331 63.426 63.100 -0.008 0.000 1.189 5 P CB -0.439 31.257 31.700 -0.006 0.000 1.687 6 Q N 3.050 122.844 119.800 -0.011 0.000 2.525 6 Q HA 0.060 4.399 4.340 -0.002 0.000 0.203 6 Q C 0.109 176.101 176.000 -0.012 0.000 0.947 6 Q CA -0.040 55.757 55.803 -0.009 0.000 0.881 6 Q CB 1.568 30.297 28.738 -0.014 0.000 1.049 6 Q HN -0.161 8.100 8.270 -0.015 0.000 0.600 7 T N -0.205 114.335 114.554 -0.023 0.000 4.047 7 T HA -0.196 4.130 4.350 -0.041 0.000 0.362 7 T C -1.431 173.250 174.700 -0.031 0.000 0.757 7 T CA 0.883 62.965 62.100 -0.030 0.000 1.975 7 T CB -0.912 67.942 68.868 -0.023 0.000 1.820 7 T HN 0.103 8.328 8.240 -0.026 0.000 0.851 8 D N 0.301 120.680 120.400 -0.035 0.000 2.441 8 D HA 0.486 5.114 4.640 -0.021 0.000 0.287 8 D C -1.029 175.238 176.300 -0.054 0.000 1.198 8 D CA -2.121 51.863 54.000 -0.027 0.000 0.894 8 D CB 1.065 41.864 40.800 -0.001 0.000 1.070 8 D HN -0.077 8.269 8.370 -0.039 0.000 0.499 9 P HA -0.073 4.208 4.420 -0.233 0.000 0.222 9 P C -0.149 177.033 177.300 -0.196 0.000 1.147 9 P CA 1.444 64.407 63.100 -0.228 0.000 0.790 9 P CB -0.016 31.488 31.700 -0.327 0.000 0.780 10 T N -4.165 110.380 114.554 -0.016 0.000 2.985 10 T HA -0.111 4.452 4.350 0.356 0.000 0.266 10 T C 0.659 175.492 174.700 0.223 0.000 1.076 10 T CA 1.910 64.120 62.100 0.183 0.000 1.135 10 T CB -0.307 68.662 68.868 0.168 0.000 0.890 10 T HN -0.335 7.834 8.240 -0.014 0.062 0.480 11 L N 0.325 121.619 121.223 0.119 0.000 2.179 11 L HA -0.041 4.398 4.340 0.166 0.000 0.208 11 L C 1.243 178.211 176.870 0.164 0.000 1.096 11 L CA 2.082 56.992 54.840 0.117 0.000 0.779 11 L CB -0.374 41.682 42.059 -0.006 0.000 0.922 11 L HN -0.509 7.623 8.230 0.057 0.132 0.443 12 E N -2.273 117.979 120.200 0.087 0.000 2.427 12 E HA -0.243 4.151 4.350 0.074 0.000 0.196 12 E C 2.227 178.933 176.600 0.175 0.000 1.028 12 E CA 2.238 58.678 56.400 0.067 0.000 0.864 12 E CB -0.621 29.058 29.700 -0.036 0.000 0.813 12 E HN -0.506 7.755 8.360 0.036 0.121 0.514 13 W N -1.799 119.523 121.300 0.036 0.000 2.812 13 W HA 0.021 4.664 4.660 -0.029 0.000 0.263 13 W C 1.136 177.579 176.519 -0.127 0.000 1.284 13 W CA 1.469 58.790 57.345 -0.041 0.000 1.430 13 W CB -0.046 29.379 29.460 -0.058 0.000 1.088 13 W HN -0.067 8.151 8.180 0.291 0.137 0.623 14 F N -1.086 118.921 119.950 0.094 0.000 2.446 14 F HA -0.057 4.447 4.527 -0.038 0.000 0.292 14 F C 0.852 176.730 175.800 0.129 0.000 1.096 14 F CA 2.337 60.376 58.000 0.064 0.000 1.438 14 F CB 0.816 39.897 39.000 0.135 0.000 1.107 14 F HN -0.953 7.472 8.300 0.423 0.129 0.546 15 L N -2.549 118.845 121.223 0.285 0.000 2.509 15 L HA 0.103 4.509 4.340 0.110 0.000 0.222 15 L C 0.385 177.321 176.870 0.111 0.000 1.123 15 L CA 1.196 56.126 54.840 0.150 0.000 0.856 15 L CB -0.118 41.990 42.059 0.081 0.000 0.985 15 L HN -0.227 8.106 8.230 0.286 0.068 0.456 16 S N -5.451 110.354 115.700 0.175 0.000 2.575 16 S HA -0.049 4.503 4.470 0.137 0.000 0.215 16 S C -0.132 174.629 174.600 0.269 0.000 0.966 16 S CA 0.995 59.319 58.200 0.206 0.000 0.911 16 S CB -0.349 63.009 63.200 0.263 0.000 0.780 16 S HN -0.152 8.203 8.310 0.205 0.078 0.514 17 H N 0.198 119.252 119.070 -0.027 0.000 3.046 17 H HA 0.189 4.724 4.556 -0.036 0.000 0.262 17 H C -0.146 175.117 175.328 -0.108 0.000 1.044 17 H CA 0.764 56.766 56.048 -0.077 0.000 1.209 17 H CB 2.124 31.815 29.762 -0.117 0.000 1.507 17 H HN -0.335 7.909 8.280 0.171 0.139 0.507 18 C N -2.322 116.972 119.300 -0.010 0.000 3.036 18 C HA 0.252 4.706 4.460 -0.010 0.000 0.227 18 C C -1.730 173.323 174.990 0.105 0.000 2.998 18 C CA -3.578 55.435 59.018 -0.008 0.000 1.926 18 C CB 2.511 30.199 27.740 -0.086 0.000 3.074 18 C HN -0.950 7.175 8.230 0.008 0.109 0.408 19 H N 0.255 119.333 119.070 0.014 0.000 2.761 19 H HA 0.260 4.834 4.556 0.029 0.000 0.263 19 H C -1.498 173.885 175.328 0.092 0.000 1.292 19 H CA -1.075 54.996 56.048 0.038 0.000 1.540 19 H CB 0.374 30.148 29.762 0.020 0.000 1.569 19 H HN 0.034 8.400 8.280 0.144 0.000 0.510 20 I N 5.219 125.730 120.570 -0.099 0.000 2.396 20 I HA 0.187 4.612 4.170 -0.020 -0.267 0.289 20 I C -0.205 175.824 176.117 -0.147 0.000 1.056 20 I CA 0.323 61.578 61.300 -0.075 0.000 1.365 20 I CB -0.201 37.796 38.000 -0.006 0.000 1.407 20 I HN 0.394 8.594 8.210 -0.016 0.000 0.509 21 H N 8.864 127.782 119.070 -0.254 0.000 5.299 21 H HA -0.011 4.763 4.556 -0.063 -0.255 0.757 21 H C -2.561 172.729 175.328 -0.062 0.000 1.964 21 H CA 0.038 55.985 56.048 -0.168 0.000 1.526 21 H CB 0.879 30.509 29.762 -0.220 0.000 4.040 21 H HN 0.456 8.688 8.280 -0.040 0.024 0.567 22 K N 3.353 123.689 120.400 -0.105 0.000 3.283 22 K HA 0.185 4.716 4.320 0.351 0.000 0.249 22 K C -1.435 175.328 176.600 0.273 0.000 1.008 22 K CA -1.554 54.874 56.287 0.236 0.000 1.687 22 K CB 3.039 35.693 32.500 0.255 0.000 2.788 22 K HN 0.642 9.129 8.250 -0.346 -0.446 0.849 23 Y N -6.383 113.860 120.300 -0.094 0.000 2.741 23 Y HA 0.360 4.859 4.550 -0.085 0.000 0.339 23 Y C -2.992 172.876 175.900 -0.053 0.000 1.226 23 Y CA -4.457 53.606 58.100 -0.062 0.000 1.072 23 Y CB -1.623 36.834 38.460 -0.005 0.000 1.331 23 Y HN -0.469 8.012 8.280 0.334 0.000 0.453 24 P HA 0.040 4.532 4.420 -0.015 -0.082 0.271 24 P C -0.874 176.392 177.300 -0.057 0.000 1.233 24 P CA -0.286 62.819 63.100 0.009 0.000 0.789 24 P CB 0.484 32.198 31.700 0.025 0.000 0.951 25 S N 1.073 116.724 115.700 -0.082 0.000 2.617 25 S HA -0.102 4.249 4.470 -0.199 0.000 0.269 25 S C 0.668 175.204 174.600 -0.107 0.000 1.292 25 S CA -0.001 58.123 58.200 -0.127 0.000 1.010 25 S CB 1.132 64.275 63.200 -0.095 0.000 0.944 25 S HN 0.030 8.308 8.310 -0.053 0.000 0.536 26 K N -1.807 118.514 120.400 -0.133 0.000 3.368 26 K HA -0.229 4.032 4.320 -0.098 0.000 0.225 26 K C -1.816 174.700 176.600 -0.140 0.000 1.163 26 K CA 1.036 57.258 56.287 -0.108 0.000 0.910 26 K CB -1.089 31.374 32.500 -0.061 0.000 1.663 26 K HN 0.432 8.586 8.250 -0.161 0.000 0.611 27 S N 0.376 115.921 115.700 -0.258 0.000 3.072 27 S HA 0.065 4.403 4.470 -0.220 0.000 0.306 27 S C 0.018 174.431 174.600 -0.312 0.000 1.207 27 S CA -0.208 57.766 58.200 -0.377 0.000 1.008 27 S CB -0.634 61.952 63.200 -1.024 0.000 1.390 27 S HN -0.295 7.759 8.310 -0.292 0.081 0.523 28 T N 4.247 118.696 114.554 -0.175 0.000 2.922 28 T HA 0.056 4.292 4.350 -0.190 0.000 0.285 28 T C -0.232 174.408 174.700 -0.101 0.000 1.005 28 T CA -0.489 61.526 62.100 -0.143 0.000 1.061 28 T CB 0.981 69.799 68.868 -0.082 0.000 1.007 28 T HN -0.143 8.004 8.240 -0.121 0.021 0.502 29 L N 0.941 122.086 121.223 -0.131 0.000 2.766 29 L HA 0.363 4.679 4.340 -0.040 0.000 0.241 29 L C -0.785 176.072 176.870 -0.021 0.000 1.080 29 L CA -0.630 54.123 54.840 -0.145 0.000 0.909 29 L CB 1.075 42.771 42.059 -0.605 0.000 1.277 29 L HN -0.010 8.154 8.230 -0.110 0.000 0.510 30 I N -5.637 114.942 120.570 0.014 0.000 2.740 30 I HA 0.220 4.647 4.170 0.099 -0.197 0.275 30 I C -2.414 173.810 176.117 0.178 0.000 1.453 30 I CA 0.958 62.318 61.300 0.100 0.000 1.151 30 I CB 1.328 39.406 38.000 0.130 0.000 1.477 30 I HN -0.870 7.339 8.210 -0.001 0.000 0.428 31 H N 6.439 125.528 119.070 0.032 0.000 4.046 31 H HA 0.156 4.745 4.556 0.056 0.000 0.218 31 H C -1.784 173.557 175.328 0.022 0.000 1.143 31 H CA 0.971 57.040 56.048 0.034 0.000 1.298 31 H CB 0.891 30.659 29.762 0.010 0.000 3.003 31 H HN 0.259 8.793 8.280 0.137 -0.172 0.527 32 Q N -0.372 119.362 119.800 -0.111 0.000 1.988 32 Q HA 0.174 4.361 4.340 -0.256 0.000 0.202 32 Q C -0.722 175.236 176.000 -0.070 0.000 0.760 32 Q CA -0.478 55.246 55.803 -0.131 0.000 0.940 32 Q CB 2.296 31.010 28.738 -0.040 0.000 1.214 32 Q HN 0.147 8.763 8.270 -0.013 -0.354 0.432 33 G N -1.856 106.923 108.800 -0.036 0.000 2.147 33 G HA2 -0.221 3.728 3.960 -0.017 0.000 0.128 33 G HA3 -0.221 3.733 3.960 -0.010 0.000 0.128 33 G C -1.407 173.501 174.900 0.014 0.000 1.026 33 G CA -0.253 44.841 45.100 -0.011 0.000 0.693 33 G HN -0.099 8.179 8.290 -0.020 0.000 0.499 34 E N -0.488 119.730 120.200 0.030 0.000 2.167 34 E HA 0.044 4.416 4.350 0.037 0.000 0.284 34 E C -0.527 176.107 176.600 0.056 0.000 1.016 34 E CA -1.761 54.666 56.400 0.046 0.000 0.817 34 E CB 0.545 30.283 29.700 0.064 0.000 1.080 34 E HN -0.023 8.356 8.360 0.031 0.000 0.397 35 K N 5.455 125.884 120.400 0.048 0.000 2.405 35 K HA -0.275 4.207 4.320 0.064 -0.123 0.276 35 K C -0.305 176.334 176.600 0.064 0.000 1.099 35 K CA 0.906 57.227 56.287 0.056 0.000 1.120 35 K CB 0.303 32.829 32.500 0.044 0.000 0.877 35 K HN 0.596 8.868 8.250 0.038 0.000 0.472 36 A N 6.669 129.548 122.820 0.099 0.000 3.026 36 A HA -0.040 4.353 4.320 0.121 0.000 0.272 36 A C -0.256 177.379 177.584 0.085 0.000 1.782 36 A CA 0.079 52.188 52.037 0.121 0.000 1.451 36 A CB -1.726 17.369 19.000 0.157 0.000 1.081 36 A HN 0.447 8.659 8.150 0.105 0.000 0.611 37 E N -1.396 118.723 120.200 -0.135 0.000 2.465 37 E HA 0.011 3.733 4.350 -1.047 0.000 0.191 37 E C -0.559 175.488 176.600 -0.922 0.000 1.053 37 E CA -0.201 55.765 56.400 -0.723 0.000 0.869 37 E CB 0.859 30.278 29.700 -0.470 0.000 0.977 37 E HN -0.241 8.020 8.360 -0.081 0.050 0.483 38 T N 0.472 114.782 114.554 -0.406 0.000 2.876 38 T HA 0.329 4.482 4.350 -0.451 -0.073 0.289 38 T C -2.007 172.505 174.700 -0.312 0.000 1.014 38 T CA -0.876 60.988 62.100 -0.392 0.000 0.986 38 T CB 2.292 70.937 68.868 -0.371 0.000 1.021 38 T HN -0.793 7.251 8.240 -0.187 0.084 0.458 39 L N 6.441 127.437 121.223 -0.378 0.000 2.334 39 L HA 0.510 4.945 4.340 0.033 -0.076 0.273 39 L C -2.977 173.753 176.870 -0.233 0.000 1.013 39 L CA -1.469 53.244 54.840 -0.211 0.000 0.816 39 L CB 3.338 45.162 42.059 -0.390 0.000 1.278 39 L HN 0.999 8.888 8.230 -0.396 0.103 0.431 40 Y N 1.253 121.627 120.300 0.123 0.000 2.332 40 Y HA 0.142 4.813 4.550 0.202 0.000 0.326 40 Y C -1.918 174.128 175.900 0.242 0.000 0.978 40 Y CA -2.139 56.073 58.100 0.186 0.000 1.205 40 Y CB 1.812 40.368 38.460 0.159 0.000 1.131 40 Y HN 0.753 9.201 8.280 0.484 0.123 0.462 41 Y N 5.428 125.905 120.300 0.295 0.000 2.600 41 Y HA 0.130 4.748 4.550 0.112 0.000 0.351 41 Y C -0.713 175.238 175.900 0.084 0.000 1.042 41 Y CA -1.814 56.387 58.100 0.169 0.000 1.333 41 Y CB 0.014 38.624 38.460 0.251 0.000 1.172 41 Y HN 0.457 8.899 8.280 0.511 0.145 0.517 42 I N 9.230 129.957 120.570 0.262 0.000 2.680 42 I HA -0.327 3.960 4.170 0.196 0.000 0.286 42 I C -1.730 174.547 176.117 0.267 0.000 1.144 42 I CA 1.266 62.687 61.300 0.201 0.000 1.370 42 I CB -0.381 37.671 38.000 0.087 0.000 1.420 42 I HN 0.372 8.644 8.210 0.104 0.000 0.540 43 V N 8.433 128.462 119.914 0.193 0.000 3.471 43 V HA -0.035 4.173 4.120 0.146 0.000 0.258 43 V C -0.327 175.795 176.094 0.048 0.000 1.192 43 V CA 0.012 62.370 62.300 0.097 0.000 1.116 43 V CB -0.061 31.755 31.823 -0.012 0.000 0.792 43 V HN 0.734 8.906 8.190 0.154 0.110 0.459 44 K N -2.118 118.309 120.400 0.044 0.000 2.610 44 K HA 0.027 4.357 4.320 0.016 0.000 0.278 44 K C -2.158 174.450 176.600 0.013 0.000 0.964 44 K CA -0.372 55.925 56.287 0.018 0.000 0.859 44 K CB 3.798 36.301 32.500 0.004 0.000 1.434 44 K HN -0.748 7.480 8.250 0.064 0.060 0.410 45 G N 2.117 110.917 108.800 -0.001 0.000 2.756 45 G HA2 -0.286 3.665 3.960 -0.014 0.000 0.678 45 G HA3 -0.286 3.661 3.960 -0.020 0.000 0.678 45 G C -3.027 171.868 174.900 -0.008 0.000 1.349 45 G CA -0.320 44.773 45.100 -0.012 0.000 0.847 45 G HN 0.096 8.384 8.290 -0.003 0.000 0.548 46 S N -2.134 113.554 115.700 -0.020 0.000 2.537 46 S HA 0.235 4.702 4.470 -0.004 0.000 0.271 46 S C -1.975 172.612 174.600 -0.022 0.000 1.148 46 S CA -1.268 56.923 58.200 -0.014 0.000 0.868 46 S CB 1.663 64.853 63.200 -0.017 0.000 1.115 46 S HN -0.345 7.947 8.310 -0.030 0.000 0.461 47 V N -1.426 118.479 119.914 -0.016 0.000 3.182 47 V HA 0.343 4.585 4.120 -0.045 -0.149 0.311 47 V C -2.864 173.235 176.094 0.009 0.000 1.221 47 V CA -2.828 59.449 62.300 -0.039 0.000 1.060 47 V CB 3.112 34.880 31.823 -0.092 0.000 1.164 47 V HN 0.115 8.303 8.190 -0.004 0.000 0.466 48 A N 0.227 123.007 122.820 -0.067 0.000 2.399 48 A HA 0.287 4.653 4.320 -0.074 -0.091 0.327 48 A C -0.996 176.352 177.584 -0.394 0.000 1.367 48 A CA -1.518 50.431 52.037 -0.147 0.000 0.842 48 A CB 0.514 19.496 19.000 -0.031 0.000 1.142 48 A HN 0.264 8.238 8.150 -0.117 0.106 0.495 49 V N 4.137 123.712 119.914 -0.565 0.000 2.529 49 V HA -0.079 3.807 4.120 -0.587 -0.118 0.292 49 V C -0.624 175.112 176.094 -0.596 0.000 1.028 49 V CA 0.488 62.367 62.300 -0.701 0.000 1.074 49 V CB 0.519 31.648 31.823 -1.157 0.000 0.958 49 V HN 0.225 7.988 8.190 -0.573 0.084 0.481 50 L N 1.678 122.647 121.223 -0.422 0.000 2.393 50 L HA 0.872 5.205 4.340 -0.306 -0.176 0.260 50 L C -2.084 174.754 176.870 -0.053 0.000 1.002 50 L CA -2.115 52.544 54.840 -0.302 0.000 0.818 50 L CB 4.205 46.023 42.059 -0.401 0.000 1.369 50 L HN -0.435 7.471 8.230 -0.363 0.106 0.412 51 I N -8.230 112.358 120.570 0.030 0.000 2.957 51 I HA 0.498 4.798 4.170 0.218 0.000 0.310 51 I C -1.588 174.622 176.117 0.155 0.000 1.063 51 I CA -2.537 58.847 61.300 0.140 0.000 1.033 51 I CB 3.389 41.444 38.000 0.092 0.000 1.230 51 I HN 0.764 8.951 8.210 -0.038 0.000 0.447 52 K N 0.943 121.411 120.400 0.114 0.000 2.159 52 K HA 0.372 4.938 4.320 0.071 -0.203 0.266 52 K C -0.794 175.831 176.600 0.040 0.000 0.975 52 K CA -0.750 55.570 56.287 0.055 0.000 0.865 52 K CB 1.403 33.894 32.500 -0.015 0.000 1.087 52 K HN 0.332 8.649 8.250 0.112 0.000 0.446 53 D N 2.448 122.866 120.400 0.030 0.000 2.496 53 D HA 0.088 4.745 4.640 0.028 0.000 0.283 53 D C 0.535 176.845 176.300 0.016 0.000 1.214 53 D CA -1.118 52.896 54.000 0.024 0.000 1.089 53 D CB 1.777 42.590 40.800 0.022 0.000 1.141 53 D HN 0.106 8.400 8.370 0.029 0.093 0.580 54 E N -1.338 118.871 120.200 0.014 0.000 2.474 54 E HA -0.033 4.322 4.350 0.009 0.000 0.194 54 E C -0.372 176.233 176.600 0.008 0.000 1.041 54 E CA 1.245 57.651 56.400 0.010 0.000 0.874 54 E CB 0.463 30.170 29.700 0.011 0.000 0.914 54 E HN 0.307 8.676 8.360 0.016 0.000 0.498 55 E N -2.642 117.563 120.200 0.009 0.000 2.693 55 E HA 0.122 4.475 4.350 0.005 0.000 0.214 55 E C -0.106 176.497 176.600 0.006 0.000 0.990 55 E CA -0.282 56.122 56.400 0.007 0.000 1.047 55 E CB -0.263 29.442 29.700 0.008 0.000 1.039 55 E HN -0.313 7.991 8.360 0.011 0.063 0.475 56 G N -0.792 108.012 108.800 0.005 0.000 2.143 56 G HA2 -0.321 3.640 3.960 0.001 0.000 0.249 56 G HA3 -0.321 3.637 3.960 -0.004 0.000 0.249 56 G C -1.209 173.699 174.900 0.013 0.000 0.981 56 G CA 0.068 45.170 45.100 0.003 0.000 0.665 56 G HN -0.059 8.171 8.290 0.006 0.064 0.528 57 K N -1.065 119.346 120.400 0.019 0.000 2.312 57 K HA 0.070 4.407 4.320 0.028 0.000 0.287 57 K C -1.286 175.343 176.600 0.048 0.000 1.062 57 K CA -0.456 55.848 56.287 0.028 0.000 0.934 57 K CB 0.353 32.866 32.500 0.021 0.000 1.027 57 K HN -0.281 7.980 8.250 0.017 0.000 0.478 58 E N 4.641 124.888 120.200 0.078 0.000 2.376 58 E HA 0.781 5.520 4.350 0.160 -0.293 0.236 58 E C -0.820 175.836 176.600 0.094 0.000 0.962 58 E CA -1.595 54.905 56.400 0.167 0.000 0.768 58 E CB -0.035 29.846 29.700 0.302 0.000 1.236 58 E HN 0.244 8.644 8.360 0.067 0.000 0.431 59 M N 2.137 121.751 119.600 0.023 0.000 2.598 59 M HA 0.380 4.928 4.480 -0.053 -0.100 0.317 59 M C -0.576 175.648 176.300 -0.125 0.000 1.179 59 M CA -1.476 53.796 55.300 -0.047 0.000 0.936 59 M CB 4.805 37.386 32.600 -0.031 0.000 1.713 59 M HN -0.122 8.184 8.290 0.027 0.000 0.460 60 I N 2.376 122.835 120.570 -0.185 0.000 2.741 60 I HA -0.287 3.798 4.170 -0.384 -0.146 0.288 60 I C 0.271 176.193 176.117 -0.325 0.000 1.192 60 I CA 1.829 62.934 61.300 -0.326 0.000 1.426 60 I CB -0.688 37.098 38.000 -0.358 0.000 1.367 60 I HN 0.113 8.377 8.210 -0.150 -0.144 0.563 61 L N 2.755 123.742 121.223 -0.393 0.000 2.749 61 L HA 0.425 4.639 4.340 -0.210 0.000 0.242 61 L C -1.242 175.391 176.870 -0.396 0.000 1.103 61 L CA -1.001 53.663 54.840 -0.293 0.000 0.906 61 L CB 1.387 43.345 42.059 -0.167 0.000 1.228 61 L HN 0.743 8.576 8.230 -0.467 0.117 0.517 62 S N -2.408 112.889 115.700 -0.671 0.000 2.643 62 S HA 0.263 4.492 4.470 -0.402 0.000 0.270 62 S C -2.552 171.513 174.600 -0.891 0.000 1.166 62 S CA -0.877 56.943 58.200 -0.633 0.000 0.815 62 S CB 2.498 65.384 63.200 -0.523 0.000 1.139 62 S HN -0.156 7.598 8.310 -0.757 0.102 0.472 63 Y N -3.725 116.426 120.300 -0.249 0.000 2.656 63 Y HA 0.187 4.659 4.550 -0.256 -0.076 0.334 63 Y C -1.121 174.690 175.900 -0.147 0.000 1.179 63 Y CA -0.994 56.982 58.100 -0.207 0.000 1.050 63 Y CB 2.063 40.435 38.460 -0.146 0.000 1.308 63 Y HN 0.006 8.218 8.280 -0.113 0.000 0.456 64 L N -2.106 119.156 121.223 0.066 0.000 2.492 64 L HA 0.326 4.691 4.340 0.041 0.000 0.263 64 L C -0.917 175.969 176.870 0.026 0.000 1.062 64 L CA -1.249 53.611 54.840 0.034 0.000 0.817 64 L CB 1.820 43.892 42.059 0.022 0.000 1.441 64 L HN -0.190 8.099 8.230 0.098 0.000 0.493 65 N N -2.580 116.132 118.700 0.019 0.000 2.509 65 N HA 0.155 4.895 4.740 -0.002 0.000 0.280 65 N C -0.692 174.825 175.510 0.011 0.000 1.306 65 N CA -1.638 51.417 53.050 0.008 0.000 0.782 65 N CB 3.981 42.474 38.487 0.010 0.000 1.493 65 N HN -0.199 8.181 8.380 0.000 0.000 0.498 66 Q N 0.511 120.318 119.800 0.011 0.000 2.546 66 Q HA -0.197 4.283 4.340 0.031 -0.122 0.237 66 Q C 0.181 176.206 176.000 0.041 0.000 1.333 66 Q CA 1.872 57.689 55.803 0.024 0.000 0.877 66 Q CB -1.517 27.228 28.738 0.012 0.000 1.629 66 Q HN 0.372 8.648 8.270 0.010 0.000 0.549 67 G N 3.014 111.856 108.800 0.070 0.000 2.407 67 G HA2 -0.247 3.765 3.960 0.087 0.000 0.210 67 G HA3 -0.247 3.921 3.960 0.305 -0.025 0.210 67 G C -1.524 173.342 174.900 -0.057 0.000 1.015 67 G CA -0.327 44.853 45.100 0.133 0.000 0.807 67 G HN 0.063 8.364 8.290 0.056 0.023 0.539 68 D N 0.061 120.352 120.400 -0.183 0.000 2.530 68 D HA 0.265 4.727 4.640 -0.296 0.000 0.282 68 D C -2.070 173.757 176.300 -0.788 0.000 1.204 68 D CA -1.404 52.404 54.000 -0.320 0.000 1.093 68 D CB 2.617 43.401 40.800 -0.027 0.000 1.154 68 D HN -0.638 7.694 8.370 -0.064 0.000 0.593 69 F N -4.921 114.880 119.950 -0.247 0.000 2.598 69 F HA 0.220 4.521 4.527 -0.377 0.000 0.327 69 F C -1.055 174.779 175.800 0.058 0.000 1.057 69 F CA -1.266 56.597 58.000 -0.227 0.000 0.957 69 F CB 4.018 42.870 39.000 -0.247 0.000 1.278 69 F HN -0.098 8.310 8.300 0.180 0.000 0.484 70 I N -2.331 118.432 120.570 0.321 0.000 2.722 70 I HA 0.240 4.769 4.170 0.436 -0.098 0.295 70 I C -0.463 175.865 176.117 0.352 0.000 1.161 70 I CA -0.783 60.729 61.300 0.352 0.000 1.032 70 I CB 3.714 41.878 38.000 0.272 0.000 1.244 70 I HN 0.026 8.432 8.210 0.328 0.000 0.421 71 G N 4.163 113.142 108.800 0.299 0.000 2.148 71 G HA2 -0.450 3.728 3.960 0.365 0.000 0.254 71 G HA3 -0.450 3.645 3.960 0.226 0.000 0.254 71 G C 0.552 175.516 174.900 0.108 0.000 0.981 71 G CA 1.091 46.340 45.100 0.249 0.000 0.670 71 G HN 0.686 9.177 8.290 0.335 0.000 0.528 72 E N -0.654 119.547 120.200 0.002 0.000 2.107 72 E HA -0.271 4.098 4.350 0.031 0.000 0.191 72 E C 1.441 178.009 176.600 -0.052 0.000 0.982 72 E CA 2.006 58.377 56.400 -0.048 0.000 0.809 72 E CB -0.985 28.601 29.700 -0.190 0.000 0.756 72 E HN -0.005 8.304 8.360 -0.007 0.047 0.459 73 L N -3.000 118.060 121.223 -0.272 0.000 2.642 73 L HA -0.164 4.006 4.340 -0.284 0.000 0.236 73 L C 0.718 177.550 176.870 -0.063 0.000 1.169 73 L CA 1.884 56.547 54.840 -0.294 0.000 0.851 73 L CB -1.204 40.526 42.059 -0.548 0.000 0.968 73 L HN 0.113 8.079 8.230 -0.423 0.011 0.453 74 G N -3.718 105.103 108.800 0.034 0.000 2.707 74 G HA2 0.140 4.190 3.960 0.150 0.000 0.198 74 G HA3 0.140 4.144 3.960 0.073 0.000 0.198 74 G C 0.408 175.408 174.900 0.166 0.000 1.065 74 G CA 0.779 45.944 45.100 0.110 0.000 0.763 74 G HN -0.527 7.560 8.290 0.043 0.229 0.625 75 L N -0.780 120.554 121.223 0.185 0.000 2.357 75 L HA 0.184 4.491 4.340 -0.055 0.000 0.211 75 L C 0.301 177.183 176.870 0.019 0.000 1.075 75 L CA 2.327 57.224 54.840 0.095 0.000 0.830 75 L CB 0.691 42.902 42.059 0.253 0.000 0.996 75 L HN -0.651 7.578 8.230 0.162 0.098 0.467 76 F N -1.585 118.322 119.950 -0.072 0.000 2.653 76 F HA 0.173 4.650 4.527 -0.083 0.000 0.288 76 F C 1.023 176.760 175.800 -0.105 0.000 1.121 76 F CA 1.221 59.169 58.000 -0.086 0.000 1.384 76 F CB 2.192 41.142 39.000 -0.082 0.000 1.115 76 F HN 0.150 8.463 8.300 0.209 0.112 0.599 77 E N 1.510 121.666 120.200 -0.073 0.000 2.077 77 E HA -0.289 3.891 4.350 -0.283 0.000 0.193 77 E C 0.289 176.759 176.600 -0.217 0.000 0.989 77 E CA 2.560 58.852 56.400 -0.181 0.000 0.800 77 E CB 0.580 30.223 29.700 -0.096 0.000 0.746 77 E HN -0.292 8.107 8.360 0.065 0.000 0.452 78 E N -6.123 113.993 120.200 -0.141 0.000 3.561 78 E HA -0.204 4.080 4.350 -0.109 0.000 0.337 78 E C -0.580 175.987 176.600 -0.055 0.000 0.820 78 E CA -0.003 56.327 56.400 -0.116 0.000 1.232 78 E CB -1.651 27.959 29.700 -0.150 0.000 1.604 78 E HN 0.152 8.469 8.360 -0.083 -0.007 0.391 79 G N -0.687 108.099 108.800 -0.024 0.000 2.575 79 G HA2 -0.254 3.735 3.960 0.017 0.000 0.215 79 G HA3 -0.254 3.729 3.960 -0.010 -0.029 0.215 79 G C -0.138 174.779 174.900 0.028 0.000 1.262 79 G CA 0.815 45.918 45.100 0.004 0.000 0.807 79 G HN -0.071 8.207 8.290 -0.020 0.000 0.567 80 Q N -1.488 118.351 119.800 0.066 0.000 2.459 80 Q HA -0.328 4.088 4.340 0.127 0.000 0.314 80 Q C -1.321 174.714 176.000 0.058 0.000 1.432 80 Q CA 0.781 56.635 55.803 0.085 0.000 0.823 80 Q CB -1.735 27.047 28.738 0.074 0.000 1.124 80 Q HN -0.030 8.292 8.270 0.086 0.000 0.392 81 E N -2.731 117.504 120.200 0.058 0.000 2.246 81 E HA -0.176 4.199 4.350 0.041 0.000 0.201 81 E C -0.712 175.913 176.600 0.041 0.000 1.156 81 E CA 0.298 56.722 56.400 0.041 0.000 0.484 81 E CB 0.247 29.962 29.700 0.025 0.000 0.847 81 E HN 0.048 8.452 8.360 0.074 0.000 0.451 82 R N 0.058 120.595 120.500 0.061 0.000 1.206 82 R HA -0.536 3.901 4.340 0.097 -0.038 0.020 82 R C 0.777 177.127 176.300 0.083 0.000 0.960 82 R CA 3.132 59.275 56.100 0.073 0.000 1.963 82 R CB -1.559 28.765 30.300 0.040 0.000 0.163 82 R HN 0.797 9.135 8.270 0.071 -0.025 0.724 83 S N -1.423 114.310 115.700 0.056 0.000 2.443 83 S HA -0.493 4.003 4.470 0.042 0.000 0.241 83 S C -1.694 172.976 174.600 0.117 0.000 1.257 83 S CA 1.606 59.844 58.200 0.064 0.000 1.628 83 S CB 0.003 63.234 63.200 0.051 0.000 2.116 83 S HN 0.445 8.710 8.310 0.035 0.066 0.638 84 A N -2.444 120.480 122.820 0.172 0.000 2.435 84 A HA -0.290 4.230 4.320 0.334 0.000 0.686 84 A C -2.029 175.816 177.584 0.435 0.000 0.138 84 A CA 0.693 52.908 52.037 0.297 0.000 0.024 84 A CB -0.054 19.108 19.000 0.269 0.000 3.974 84 A HN -0.125 7.994 8.150 0.164 0.129 0.548 85 W N -0.909 120.446 121.300 0.092 0.000 0.466 85 W HA -0.121 4.532 4.660 -0.012 0.000 0.131 85 W C -3.426 173.064 176.519 -0.048 0.000 0.585 85 W CA 0.726 58.077 57.345 0.011 0.000 0.166 85 W CB 1.268 30.748 29.460 0.034 0.000 0.637 85 W HN 0.128 8.503 8.180 0.325 0.000 0.309 86 V N -3.802 116.133 119.914 0.036 0.000 2.932 86 V HA 0.399 4.393 4.120 -0.209 0.000 0.307 86 V C -2.575 173.414 176.094 -0.176 0.000 1.147 86 V CA -1.852 60.386 62.300 -0.103 0.000 0.951 86 V CB 2.816 34.611 31.823 -0.047 0.000 1.031 86 V HN -0.850 7.410 8.190 0.116 0.000 0.426 87 R N 2.948 123.317 120.500 -0.217 0.000 2.572 87 R HA 0.089 4.316 4.340 -0.188 0.000 0.273 87 R C -1.933 174.257 176.300 -0.184 0.000 1.168 87 R CA -0.514 55.460 56.100 -0.210 0.000 1.021 87 R CB 3.292 33.441 30.300 -0.251 0.000 1.249 87 R HN 0.471 8.615 8.270 -0.209 0.000 0.423 88 A N 6.916 129.620 122.820 -0.194 0.000 2.587 88 A HA -0.251 3.966 4.320 -0.172 0.000 0.235 88 A C -1.675 175.838 177.584 -0.119 0.000 1.044 88 A CA 1.658 53.587 52.037 -0.180 0.000 0.754 88 A CB 0.408 19.259 19.000 -0.248 0.000 0.968 88 A HN 0.320 8.220 8.150 -0.224 0.116 0.509 89 K N 3.224 123.575 120.400 -0.082 0.000 2.412 89 K HA 0.150 4.441 4.320 -0.049 0.000 0.202 89 K C -0.956 175.611 176.600 -0.055 0.000 1.102 89 K CA -0.147 56.112 56.287 -0.047 0.000 1.027 89 K CB 1.479 33.984 32.500 0.009 0.000 0.931 89 K HN 0.053 8.257 8.250 -0.077 0.000 0.557 90 T N -1.618 112.898 114.554 -0.064 0.000 2.816 90 T HA 0.198 4.517 4.350 -0.053 0.000 0.299 90 T C -1.968 172.695 174.700 -0.062 0.000 1.230 90 T CA -1.089 60.978 62.100 -0.056 0.000 1.007 90 T CB 3.289 72.130 68.868 -0.045 0.000 1.289 90 T HN -0.670 7.525 8.240 -0.075 0.000 0.508 91 A N 2.033 124.826 122.820 -0.045 0.000 2.395 91 A HA 0.533 5.079 4.320 -0.043 -0.252 0.286 91 A C 0.060 177.623 177.584 -0.035 0.000 1.193 91 A CA 0.179 52.194 52.037 -0.036 0.000 0.852 91 A CB -0.447 18.541 19.000 -0.019 0.000 1.118 91 A HN 0.330 8.457 8.150 -0.038 0.000 0.524 92 C N 3.522 122.803 119.300 -0.032 0.000 2.711 92 C HA 0.700 5.203 4.460 -0.020 -0.055 0.410 92 C C -0.896 174.079 174.990 -0.025 0.000 1.553 92 C CA -3.163 55.844 59.018 -0.018 0.000 1.759 92 C CB 2.902 30.640 27.740 -0.003 0.000 2.077 92 C HN 0.035 8.242 8.230 -0.040 0.000 0.483 93 E N -0.633 119.564 120.200 -0.004 0.000 2.528 93 E HA 0.322 4.787 4.350 -0.063 -0.153 0.277 93 E C -1.999 174.638 176.600 0.062 0.000 0.980 93 E CA -0.843 55.545 56.400 -0.021 0.000 0.796 93 E CB 1.882 31.554 29.700 -0.047 0.000 1.427 93 E HN 0.348 8.723 8.360 0.025 0.000 0.394 94 V N -0.720 119.267 119.914 0.121 0.000 2.612 94 V HA 0.728 5.187 4.120 0.212 -0.211 0.301 94 V C -0.346 175.859 176.094 0.184 0.000 1.046 94 V CA -3.728 58.696 62.300 0.205 0.000 0.946 94 V CB 1.694 33.703 31.823 0.311 0.000 1.003 94 V HN -0.017 8.316 8.190 0.127 -0.067 0.459 95 A N 4.647 127.615 122.820 0.246 0.000 2.798 95 A HA 0.221 4.765 4.320 0.106 -0.161 0.316 95 A C -1.046 176.694 177.584 0.260 0.000 1.506 95 A CA -0.808 51.353 52.037 0.207 0.000 1.162 95 A CB -1.161 17.964 19.000 0.207 0.000 1.138 95 A HN 1.174 9.377 8.150 0.345 0.154 0.532 96 E N 3.880 124.194 120.200 0.189 0.000 2.166 96 E HA 0.933 5.492 4.350 0.057 -0.175 0.275 96 E C -1.165 175.443 176.600 0.014 0.000 0.941 96 E CA -1.587 54.854 56.400 0.068 0.000 0.784 96 E CB 2.069 31.765 29.700 -0.006 0.000 1.115 96 E HN 0.273 8.643 8.360 0.173 0.094 0.399 97 I N -2.929 117.582 120.570 -0.098 0.000 3.334 97 I HA 0.465 4.585 4.170 -0.083 0.000 0.316 97 I C -1.911 174.109 176.117 -0.162 0.000 1.251 97 I CA -2.154 59.093 61.300 -0.088 0.000 0.929 97 I CB 4.443 42.435 38.000 -0.012 0.000 1.317 97 I HN 0.890 9.009 8.210 -0.151 0.000 0.479 98 S N 0.028 115.665 115.700 -0.106 0.000 2.499 98 S HA 0.277 4.591 4.470 -0.261 0.000 0.279 98 S C 1.397 176.030 174.600 0.055 0.000 1.219 98 S CA -0.682 57.437 58.200 -0.134 0.000 1.062 98 S CB 1.718 64.841 63.200 -0.128 0.000 0.978 98 S HN 0.032 8.306 8.310 -0.059 0.000 0.489 99 Y N 2.374 122.673 120.300 -0.002 0.000 2.680 99 Y HA -0.261 4.534 4.550 0.409 0.000 0.303 99 Y C 0.591 176.624 175.900 0.222 0.000 1.166 99 Y CA -0.163 58.041 58.100 0.173 0.000 1.344 99 Y CB -1.506 36.986 38.460 0.054 0.000 1.002 99 Y HN 0.080 8.197 8.280 -0.270 0.000 0.537 100 K N 1.402 122.086 120.400 0.474 0.000 2.007 100 K HA -0.325 4.231 4.320 0.393 0.000 0.206 100 K C 1.039 177.781 176.600 0.237 0.000 1.047 100 K CA 3.109 59.600 56.287 0.340 0.000 0.937 100 K CB -0.507 32.110 32.500 0.195 0.000 0.718 100 K HN -0.095 8.248 8.250 0.234 0.048 0.438 101 K N -2.149 118.368 120.400 0.194 0.000 2.167 101 K HA -0.184 4.200 4.320 0.107 0.000 0.203 101 K C 2.076 178.794 176.600 0.198 0.000 1.052 101 K CA 2.315 58.688 56.287 0.144 0.000 0.956 101 K CB -0.067 32.482 32.500 0.081 0.000 0.735 101 K HN -0.706 7.647 8.250 0.170 0.000 0.451 102 F N 1.343 121.351 119.950 0.097 0.000 2.075 102 F HA -0.372 4.196 4.527 0.069 0.000 0.297 102 F C 0.624 176.518 175.800 0.157 0.000 1.113 102 F CA 3.221 61.293 58.000 0.120 0.000 1.218 102 F CB 0.473 39.569 39.000 0.159 0.000 0.984 102 F HN 0.081 8.628 8.300 0.412 0.000 0.472 103 R N -0.452 120.245 120.500 0.329 0.000 2.185 103 R HA -0.370 3.912 4.340 -0.096 0.000 0.247 103 R C 1.063 177.338 176.300 -0.042 0.000 1.159 103 R CA 2.945 59.095 56.100 0.084 0.000 0.988 103 R CB -0.870 29.545 30.300 0.191 0.000 0.871 103 R HN -0.523 8.069 8.270 0.739 0.121 0.458 104 Q N -2.704 117.100 119.800 0.006 0.000 2.402 104 Q HA -0.095 4.233 4.340 -0.019 0.000 0.206 104 Q C 0.806 176.784 176.000 -0.036 0.000 0.919 104 Q CA 0.595 56.393 55.803 -0.009 0.000 0.923 104 Q CB -0.190 28.562 28.738 0.024 0.000 1.048 104 Q HN -0.292 7.834 8.270 0.071 0.186 0.515 105 L N -0.033 121.159 121.223 -0.051 0.000 2.102 105 L HA 0.022 4.319 4.340 -0.073 0.000 0.202 105 L C 1.724 178.519 176.870 -0.124 0.000 1.076 105 L CA 2.594 57.389 54.840 -0.073 0.000 0.761 105 L CB 0.200 42.233 42.059 -0.042 0.000 0.921 105 L HN -0.489 7.611 8.230 -0.039 0.107 0.444 106 I N -4.966 115.454 120.570 -0.251 0.000 3.010 106 I HA -0.305 3.774 4.170 -0.151 0.000 0.271 106 I C 1.069 177.101 176.117 -0.142 0.000 1.293 106 I CA 2.254 63.400 61.300 -0.257 0.000 1.452 106 I CB -0.638 37.030 38.000 -0.554 0.000 1.082 106 I HN 0.241 8.107 8.210 -0.405 0.101 0.484 107 Q N -2.504 117.231 119.800 -0.109 0.000 2.352 107 Q HA -0.036 4.271 4.340 -0.055 0.000 0.212 107 Q C 0.711 176.679 176.000 -0.054 0.000 0.888 107 Q CA 1.614 57.379 55.803 -0.063 0.000 0.934 107 Q CB 0.822 29.533 28.738 -0.045 0.000 1.093 107 Q HN -0.177 7.787 8.270 -0.115 0.236 0.523 108 V N -0.185 119.689 119.914 -0.068 0.000 2.951 108 V HA -0.193 3.889 4.120 -0.062 0.000 0.255 108 V C -0.624 175.433 176.094 -0.062 0.000 1.088 108 V CA 1.642 63.898 62.300 -0.074 0.000 1.109 108 V CB 0.949 32.706 31.823 -0.110 0.000 0.724 108 V HN -0.187 7.759 8.190 -0.081 0.195 0.471 109 N N -1.528 117.144 118.700 -0.045 0.000 2.461 109 N HA 0.401 5.139 4.740 -0.003 0.000 0.284 109 N C -1.948 173.555 175.510 -0.012 0.000 1.049 109 N CA -2.100 50.944 53.050 -0.010 0.000 0.889 109 N CB 2.117 40.621 38.487 0.028 0.000 1.365 109 N HN -0.699 7.612 8.380 -0.056 0.036 0.499 110 P HA 0.135 4.546 4.420 -0.016 0.000 0.245 110 P C -1.365 175.931 177.300 -0.007 0.000 1.212 110 P CA 0.889 63.985 63.100 -0.008 0.000 0.774 110 P CB 0.115 31.814 31.700 -0.002 0.000 0.999 111 D N -3.483 116.919 120.400 0.004 0.000 2.379 111 D HA 0.056 4.692 4.640 -0.007 0.000 0.208 111 D C -0.323 175.972 176.300 -0.007 0.000 1.065 111 D CA 1.134 55.137 54.000 0.004 0.000 0.848 111 D CB 0.809 41.624 40.800 0.025 0.000 0.949 111 D HN -0.288 7.996 8.370 0.014 0.094 0.509 112 I N 0.511 121.072 120.570 -0.016 0.000 2.296 112 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 112 I C 1.396 177.444 176.117 -0.114 0.000 1.087 112 I CA 3.391 64.672 61.300 -0.032 0.000 1.393 112 I CB 0.311 38.308 38.000 -0.004 0.000 1.093 112 I HN -0.525 7.677 8.210 -0.014 0.000 0.421 113 L N -0.337 120.811 121.223 -0.125 0.000 2.313 113 L HA -0.242 3.959 4.340 -0.231 0.000 0.214 113 L C 1.499 178.236 176.870 -0.221 0.000 1.119 113 L CA 3.164 57.900 54.840 -0.174 0.000 0.809 113 L CB 0.031 42.039 42.059 -0.086 0.000 0.933 113 L HN -0.529 7.645 8.230 -0.092 0.000 0.449 114 M N -2.321 117.197 119.600 -0.136 0.000 2.254 114 M HA -0.172 4.236 4.480 -0.119 0.000 0.265 114 M C 2.383 178.592 176.300 -0.152 0.000 1.066 114 M CA 2.060 57.291 55.300 -0.116 0.000 1.123 114 M CB -1.316 31.253 32.600 -0.051 0.000 1.388 114 M HN -0.052 8.143 8.290 -0.095 0.037 0.425 115 R N -0.568 119.847 120.500 -0.141 0.000 2.075 115 R HA -0.296 4.013 4.340 -0.052 0.000 0.232 115 R C 2.459 178.601 176.300 -0.263 0.000 1.126 115 R CA 3.353 59.393 56.100 -0.100 0.000 0.963 115 R CB -0.105 30.208 30.300 0.021 0.000 0.858 115 R HN -0.519 7.552 8.270 -0.122 0.125 0.435 116 L N -0.912 119.938 121.223 -0.620 0.000 2.056 116 L HA -0.256 3.095 4.340 -1.650 0.000 0.207 116 L C 0.993 177.401 176.870 -0.770 0.000 1.078 116 L CA 3.314 57.435 54.840 -1.199 0.000 0.749 116 L CB 0.122 41.307 42.059 -1.458 0.000 0.901 116 L HN -0.472 7.376 8.230 -0.526 0.067 0.433 117 S N 0.229 115.523 115.700 -0.676 0.000 2.359 117 S HA -0.426 3.366 4.470 -1.131 0.000 0.223 117 S C 2.051 176.462 174.600 -0.314 0.000 1.039 117 S CA 3.324 61.135 58.200 -0.648 0.000 1.042 117 S CB -1.006 61.972 63.200 -0.369 0.000 0.915 117 S HN 0.037 7.889 8.310 -0.581 0.110 0.439 118 A N 0.071 122.772 122.820 -0.199 0.000 2.024 118 A HA -0.252 4.036 4.320 -0.054 0.000 0.220 118 A C 2.309 179.859 177.584 -0.055 0.000 1.164 118 A CA 2.793 54.778 52.037 -0.086 0.000 0.643 118 A CB -0.886 18.083 19.000 -0.051 0.000 0.806 118 A HN -0.310 7.711 8.150 -0.215 0.000 0.451 119 Q N -1.028 118.719 119.800 -0.089 0.000 1.990 119 Q HA -0.299 4.076 4.340 0.058 0.000 0.200 119 Q C 2.440 178.464 176.000 0.039 0.000 0.980 119 Q CA 2.088 57.900 55.803 0.015 0.000 0.832 119 Q CB -0.762 28.028 28.738 0.086 0.000 0.897 119 Q HN -0.471 7.521 8.270 -0.194 0.162 0.427 120 M N 0.150 119.722 119.600 -0.047 0.000 2.106 120 M HA -0.491 4.071 4.480 0.138 0.000 0.259 120 M C 2.297 178.632 176.300 0.058 0.000 1.068 120 M CA 4.215 59.516 55.300 0.002 0.000 1.100 120 M CB 0.070 32.575 32.600 -0.159 0.000 1.351 120 M HN -0.568 7.617 8.290 -0.174 0.000 0.404 121 A N -2.704 120.127 122.820 0.017 0.000 2.019 121 A HA -0.249 4.106 4.320 0.059 0.000 0.219 121 A C 1.931 179.549 177.584 0.057 0.000 1.164 121 A CA 3.059 55.121 52.037 0.042 0.000 0.644 121 A CB -0.872 18.142 19.000 0.023 0.000 0.805 121 A HN 0.337 8.383 8.150 -0.040 0.080 0.449 122 R N -2.717 117.819 120.500 0.060 0.000 2.148 122 R HA -0.137 4.234 4.340 0.052 0.000 0.223 122 R C 1.238 177.593 176.300 0.092 0.000 1.088 122 R CA 1.325 57.465 56.100 0.066 0.000 0.985 122 R CB -0.446 29.891 30.300 0.062 0.000 0.880 122 R HN -0.432 7.723 8.270 0.049 0.145 0.451 123 R N -2.342 118.244 120.500 0.144 0.000 2.153 123 R HA -0.127 4.297 4.340 0.140 0.000 0.218 123 R C 1.684 178.082 176.300 0.163 0.000 1.072 123 R CA 0.718 56.936 56.100 0.197 0.000 0.990 123 R CB -0.651 29.910 30.300 0.435 0.000 0.889 123 R HN -0.753 7.436 8.270 0.148 0.170 0.452 124 L N 0.272 121.575 121.223 0.133 0.000 2.046 124 L HA -0.307 4.099 4.340 0.110 0.000 0.208 124 L C 1.967 178.880 176.870 0.070 0.000 1.077 124 L CA 3.764 58.662 54.840 0.098 0.000 0.747 124 L CB -0.579 41.524 42.059 0.074 0.000 0.896 124 L HN 0.214 8.384 8.230 0.126 0.136 0.432 125 Q N -1.756 118.082 119.800 0.063 0.000 2.369 125 Q HA -0.209 4.153 4.340 0.036 0.000 0.206 125 Q C 1.893 177.918 176.000 0.042 0.000 0.963 125 Q CA 2.803 58.633 55.803 0.044 0.000 0.894 125 Q CB -0.292 28.469 28.738 0.039 0.000 0.965 125 Q HN -0.234 7.983 8.270 0.070 0.095 0.475 126 V N -1.829 118.117 119.914 0.054 0.000 2.825 126 V HA -0.018 4.121 4.120 0.032 0.000 0.246 126 V C 1.008 177.121 176.094 0.033 0.000 1.068 126 V CA 2.139 64.463 62.300 0.041 0.000 1.088 126 V CB 0.435 32.283 31.823 0.043 0.000 0.733 126 V HN -0.669 7.409 8.190 0.073 0.156 0.468 127 T N 0.789 115.371 114.554 0.047 0.000 3.129 127 T HA 0.053 4.418 4.350 0.024 0.000 0.251 127 T C 0.497 175.218 174.700 0.034 0.000 1.117 127 T CA 2.136 64.261 62.100 0.041 0.000 1.034 127 T CB -0.230 68.679 68.868 0.069 0.000 0.968 127 T HN 0.127 8.300 8.240 0.068 0.108 0.526 128 S N 0.596 116.315 115.700 0.031 0.000 2.535 128 S HA 0.126 4.610 4.470 0.023 0.000 0.214 128 S C -0.380 174.226 174.600 0.009 0.000 0.980 128 S CA 1.943 60.157 58.200 0.022 0.000 0.907 128 S CB 0.537 63.751 63.200 0.024 0.000 0.790 128 S HN -0.381 7.903 8.310 0.030 0.045 0.510 129 E N -0.844 119.360 120.200 0.006 0.000 2.812 129 E HA 0.226 4.567 4.350 -0.015 0.000 0.211 129 E C -1.445 175.146 176.600 -0.014 0.000 0.986 129 E CA -0.370 56.026 56.400 -0.008 0.000 1.119 129 E CB 0.587 30.283 29.700 -0.006 0.000 1.046 129 E HN -0.673 7.633 8.360 0.013 0.061 0.474 130 K N -1.613 118.783 120.400 -0.008 0.000 2.702 130 K HA 0.234 4.761 4.320 -0.022 -0.220 0.182 130 K C 0.005 176.604 176.600 -0.003 0.000 1.167 130 K CA -0.165 56.116 56.287 -0.009 0.000 1.128 130 K CB 1.223 33.724 32.500 0.001 0.000 0.838 130 K HN -0.327 7.923 8.250 -0.000 0.000 0.491 131 V N 0.979 120.892 119.914 -0.002 0.000 2.273 131 V HA -0.186 3.941 4.120 0.011 0.000 0.242 131 V C 1.401 177.504 176.094 0.015 0.000 1.035 131 V CA 2.885 65.190 62.300 0.009 0.000 1.013 131 V CB -0.268 31.563 31.823 0.013 0.000 0.652 131 V HN 0.055 8.241 8.190 -0.006 0.000 0.452 132 G N -2.775 106.028 108.800 0.005 0.000 3.088 132 G HA2 0.085 4.056 3.960 0.018 0.000 0.212 132 G HA3 0.085 4.081 3.960 0.060 0.000 0.212 132 G C -0.532 174.375 174.900 0.012 0.000 1.173 132 G CA 0.185 45.301 45.100 0.026 0.000 0.779 132 G HN -0.015 8.268 8.290 -0.011 0.000 0.540 133 N N 0.320 119.009 118.700 -0.017 0.000 2.083 133 N HA -0.132 4.540 4.740 -0.114 0.000 0.190 133 N C 1.870 177.416 175.510 0.060 0.000 1.047 133 N CA 3.142 56.175 53.050 -0.028 0.000 0.845 133 N CB -0.042 38.427 38.487 -0.031 0.000 1.025 133 N HN -0.212 7.964 8.380 -0.013 0.196 0.428 134 L N -3.599 117.657 121.223 0.055 0.000 2.376 134 L HA 0.067 4.538 4.340 0.074 -0.087 0.219 134 L C 1.149 178.073 176.870 0.090 0.000 1.133 134 L CA 2.599 57.479 54.840 0.067 0.000 0.816 134 L CB -0.731 41.352 42.059 0.041 0.000 0.933 134 L HN -0.386 7.865 8.230 0.034 0.000 0.449 135 A N -3.290 119.594 122.820 0.107 0.000 2.119 135 A HA -0.155 4.213 4.320 0.080 0.000 0.216 135 A C 0.695 178.390 177.584 0.184 0.000 1.152 135 A CA 1.478 53.585 52.037 0.117 0.000 0.708 135 A CB -0.878 18.182 19.000 0.101 0.000 0.805 135 A HN -0.223 7.804 8.150 0.099 0.183 0.460 136 F N -2.930 117.022 119.950 0.004 0.000 2.661 136 F HA -0.170 4.359 4.527 0.004 0.000 0.298 136 F C -0.767 175.035 175.800 0.003 0.000 1.137 136 F CA 0.791 58.794 58.000 0.004 0.000 1.454 136 F CB 1.060 40.063 39.000 0.005 0.000 1.103 136 F HN -0.807 7.491 8.300 0.307 0.186 0.577 137 L N -4.158 117.122 121.223 0.094 0.000 3.839 137 L HA -0.394 3.969 4.340 0.038 0.000 0.416 137 L C -0.108 176.776 176.870 0.025 0.000 1.195 137 L CA 0.539 55.394 54.840 0.025 0.000 0.946 137 L CB -2.001 40.040 42.059 -0.030 0.000 1.891 137 L HN -0.783 7.460 8.230 0.127 0.063 0.963 138 D N -2.042 118.418 120.400 0.101 0.000 2.390 138 D HA -0.186 4.504 4.640 0.083 0.000 0.235 138 D C 1.559 177.900 176.300 0.068 0.000 1.040 138 D CA 0.562 54.633 54.000 0.119 0.000 0.923 138 D CB 0.024 40.964 40.800 0.234 0.000 0.886 138 D HN 0.159 8.590 8.370 0.161 0.036 0.532 139 V N -1.873 118.068 119.914 0.045 0.000 2.402 139 V HA -0.432 3.707 4.120 0.031 0.000 0.264 139 V C 0.158 176.268 176.094 0.026 0.000 1.112 139 V CA 2.774 65.092 62.300 0.030 0.000 1.110 139 V CB -0.145 31.688 31.823 0.017 0.000 0.689 139 V HN 0.241 8.333 8.190 0.041 0.122 0.459 140 T N -1.633 112.937 114.554 0.026 0.000 2.800 140 T HA -0.176 4.184 4.350 0.017 0.000 0.266 140 T C 0.616 175.333 174.700 0.029 0.000 0.939 140 T CA 1.706 63.820 62.100 0.023 0.000 1.199 140 T CB -1.324 67.556 68.868 0.020 0.000 0.899 140 T HN -0.252 7.963 8.240 0.026 0.041 0.555 141 G N 7.372 116.186 108.800 0.023 0.000 2.176 141 G HA2 -0.374 3.601 3.960 0.024 0.000 0.253 141 G HA3 -0.374 3.596 3.960 0.017 0.000 0.253 141 G C -0.716 174.199 174.900 0.024 0.000 0.979 141 G CA 0.074 45.187 45.100 0.022 0.000 0.641 141 G HN 0.196 8.498 8.290 0.019 0.000 0.530 142 R N -0.433 120.084 120.500 0.028 0.000 2.334 142 R HA 0.096 4.451 4.340 0.026 0.000 0.216 142 R C 0.392 176.704 176.300 0.019 0.000 0.905 142 R CA -0.422 55.695 56.100 0.029 0.000 1.064 142 R CB 0.397 30.724 30.300 0.045 0.000 1.046 142 R HN -0.207 7.883 8.270 0.029 0.197 0.508 143 I N -1.631 118.948 120.570 0.014 0.000 2.726 143 I HA -0.182 3.992 4.170 0.007 0.000 0.243 143 I C 1.228 177.345 176.117 -0.001 0.000 1.082 143 I CA 2.686 63.990 61.300 0.006 0.000 1.447 143 I CB 0.000 38.003 38.000 0.005 0.000 1.250 143 I HN -0.527 7.615 8.210 0.015 0.077 0.453 144 A N -0.622 122.198 122.820 0.000 0.000 2.070 144 A HA -0.340 3.974 4.320 -0.009 0.000 0.220 144 A C 1.489 179.070 177.584 -0.005 0.000 1.159 144 A CA 2.869 54.904 52.037 -0.003 0.000 0.656 144 A CB -1.300 17.701 19.000 0.002 0.000 0.800 144 A HN 0.175 8.328 8.150 0.004 0.000 0.453 145 Q N -2.219 117.582 119.800 0.000 0.000 2.096 145 Q HA -0.303 4.037 4.340 -0.000 0.000 0.204 145 Q C 1.898 177.893 176.000 -0.008 0.000 0.982 145 Q CA 3.245 59.048 55.803 -0.000 0.000 0.850 145 Q CB -0.500 28.241 28.738 0.006 0.000 0.901 145 Q HN 0.201 8.504 8.270 0.004 -0.030 0.422 146 T N 0.701 115.249 114.554 -0.011 0.000 3.067 146 T HA -0.109 4.228 4.350 -0.023 0.000 0.261 146 T C 1.454 176.131 174.700 -0.037 0.000 1.110 146 T CA 2.785 64.872 62.100 -0.023 0.000 1.113 146 T CB -0.222 68.635 68.868 -0.018 0.000 0.917 146 T HN -0.394 7.746 8.240 -0.007 0.096 0.499 147 L N 0.096 121.301 121.223 -0.031 0.000 2.179 147 L HA -0.170 4.139 4.340 -0.051 0.000 0.208 147 L C 0.793 177.640 176.870 -0.038 0.000 1.096 147 L CA 2.477 57.293 54.840 -0.039 0.000 0.779 147 L CB -0.203 41.836 42.059 -0.033 0.000 0.922 147 L HN -0.382 7.608 8.230 -0.022 0.227 0.443 148 L N -6.850 114.357 121.223 -0.027 0.000 2.341 148 L HA -0.149 4.177 4.340 -0.023 0.000 0.214 148 L C 1.977 178.831 176.870 -0.026 0.000 1.115 148 L CA 1.360 56.187 54.840 -0.022 0.000 0.820 148 L CB -0.281 41.772 42.059 -0.011 0.000 0.944 148 L HN -0.117 8.084 8.230 -0.022 0.015 0.452 149 N N 0.925 119.607 118.700 -0.031 0.000 2.244 149 N HA -0.193 4.530 4.740 -0.028 0.000 0.183 149 N C 2.301 177.780 175.510 -0.051 0.000 1.016 149 N CA 2.823 55.852 53.050 -0.036 0.000 0.866 149 N CB -0.154 38.311 38.487 -0.036 0.000 0.980 149 N HN -0.557 7.733 8.380 -0.030 0.071 0.430 150 L N -2.080 119.106 121.223 -0.062 0.000 2.376 150 L HA -0.151 4.134 4.340 -0.092 0.000 0.219 150 L C 1.155 177.991 176.870 -0.057 0.000 1.133 150 L CA 2.345 57.139 54.840 -0.076 0.000 0.816 150 L CB -0.342 41.664 42.059 -0.088 0.000 0.933 150 L HN -0.275 7.785 8.230 -0.057 0.136 0.449 151 A N -3.350 119.445 122.820 -0.042 0.000 2.169 151 A HA -0.038 4.262 4.320 -0.033 0.000 0.212 151 A C 0.351 177.919 177.584 -0.026 0.000 1.153 151 A CA 1.244 53.262 52.037 -0.031 0.000 0.756 151 A CB -0.060 18.927 19.000 -0.022 0.000 0.813 151 A HN -0.312 7.661 8.150 -0.038 0.153 0.471 152 K N -2.763 117.619 120.400 -0.030 0.000 2.358 152 K HA 0.063 4.371 4.320 -0.019 0.000 0.197 152 K C 0.010 176.592 176.600 -0.030 0.000 1.025 152 K CA -0.181 56.091 56.287 -0.025 0.000 1.104 152 K CB -0.028 32.459 32.500 -0.022 0.000 0.855 152 K HN -0.578 7.463 8.250 -0.035 0.188 0.531 153 Q N -1.019 118.757 119.800 -0.041 0.000 2.252 153 Q HA 0.426 4.744 4.340 -0.037 0.000 0.256 153 Q C -1.199 174.777 176.000 -0.041 0.000 1.020 153 Q CA -3.183 52.592 55.803 -0.045 0.000 0.913 153 Q CB -0.844 27.852 28.738 -0.069 0.000 1.286 153 Q HN -0.692 7.392 8.270 -0.047 0.158 0.480 154 P HA -0.165 4.240 4.420 -0.025 0.000 0.226 154 P C -0.592 176.686 177.300 -0.038 0.000 1.146 154 P CA 1.623 64.704 63.100 -0.032 0.000 0.773 154 P CB -0.057 31.626 31.700 -0.028 0.000 0.772 155 D N -2.359 118.010 120.400 -0.052 0.000 2.234 155 D HA -0.053 4.557 4.640 -0.050 0.000 0.205 155 D C -0.168 176.104 176.300 -0.047 0.000 0.962 155 D CA 1.028 54.994 54.000 -0.057 0.000 0.855 155 D CB 0.025 40.775 40.800 -0.083 0.000 0.951 155 D HN 0.049 8.299 8.370 -0.060 0.084 0.500 156 A N 0.287 123.082 122.820 -0.041 0.000 2.540 156 A HA -0.115 4.408 4.320 -0.040 -0.227 0.264 156 A C -0.545 177.026 177.584 -0.022 0.000 1.080 156 A CA 0.604 52.621 52.037 -0.032 0.000 0.776 156 A CB -0.232 18.753 19.000 -0.025 0.000 1.011 156 A HN -0.731 7.395 8.150 -0.040 0.000 0.514 157 M N 7.973 127.560 119.600 -0.021 0.000 2.069 157 M HA 0.268 4.744 4.480 -0.007 0.000 0.349 157 M C -0.530 175.780 176.300 0.017 0.000 1.194 157 M CA -0.997 54.299 55.300 -0.008 0.000 1.081 157 M CB 1.766 34.355 32.600 -0.018 0.000 1.500 157 M HN 0.899 9.043 8.290 -0.031 0.127 0.438 158 T N 5.799 120.368 114.554 0.025 0.000 2.932 158 T HA -0.066 4.316 4.350 0.053 0.000 0.312 158 T C -0.760 173.998 174.700 0.098 0.000 1.071 158 T CA 0.789 62.917 62.100 0.046 0.000 1.128 158 T CB 0.271 69.151 68.868 0.020 0.000 0.984 158 T HN 0.226 8.473 8.240 0.012 0.000 0.549 159 H N 3.157 122.210 119.070 -0.028 0.000 3.012 159 H HA 0.346 4.885 4.556 -0.030 0.000 0.367 159 H C -1.964 173.350 175.328 -0.024 0.000 1.211 159 H CA -1.938 54.090 56.048 -0.034 0.000 1.139 159 H CB 1.988 31.716 29.762 -0.058 0.000 1.838 159 H HN -0.050 8.291 8.280 0.102 0.000 0.550 160 P HA -0.035 4.248 4.420 -0.228 0.000 0.251 160 P C -1.290 175.689 177.300 -0.535 0.000 1.624 160 P CA 1.277 64.147 63.100 -0.384 0.000 0.907 160 P CB -1.421 30.150 31.700 -0.215 0.000 1.867 161 D N -2.986 117.072 120.400 -0.570 0.000 2.756 161 D HA -0.055 4.513 4.640 -0.120 0.000 0.661 161 D C -1.699 174.632 176.300 0.051 0.000 0.574 161 D CA 0.588 54.440 54.000 -0.248 0.000 1.160 161 D CB 1.045 41.725 40.800 -0.200 0.000 1.400 161 D HN 0.550 8.539 8.370 -0.490 0.086 0.314 162 G N -2.699 106.154 108.800 0.089 0.000 2.349 162 G HA2 0.386 4.474 3.960 0.212 0.000 0.294 162 G HA3 0.386 4.426 3.960 0.133 0.000 0.294 162 G C -3.022 172.009 174.900 0.219 0.000 1.380 162 G CA 0.541 45.764 45.100 0.205 0.000 0.811 162 G HN -0.613 7.615 8.290 -0.104 0.000 0.519 163 M N -1.467 118.188 119.600 0.091 0.000 2.204 163 M HA 0.699 5.435 4.480 0.072 -0.213 0.293 163 M C -1.335 174.957 176.300 -0.013 0.000 0.994 163 M CA -0.906 54.421 55.300 0.046 0.000 0.925 163 M CB 3.271 35.887 32.600 0.026 0.000 1.577 163 M HN -0.314 8.009 8.290 0.055 0.000 0.439 164 Q N 1.929 121.705 119.800 -0.040 0.000 2.427 164 Q HA 1.045 5.541 4.340 -0.084 -0.207 0.232 164 Q C -1.471 174.491 176.000 -0.064 0.000 1.018 164 Q CA -2.564 53.193 55.803 -0.077 0.000 0.965 164 Q CB 4.132 32.798 28.738 -0.119 0.000 1.232 164 Q HN 0.252 8.505 8.270 -0.028 0.000 0.510 165 I N -9.493 111.033 120.570 -0.073 0.000 2.724 165 I HA 0.222 4.351 4.170 -0.068 0.000 0.284 165 I C -1.982 174.091 176.117 -0.074 0.000 1.388 165 I CA -0.068 61.188 61.300 -0.072 0.000 1.081 165 I CB 2.784 40.738 38.000 -0.077 0.000 1.368 165 I HN -0.110 8.051 8.210 -0.081 0.000 0.429 166 K N 7.415 127.773 120.400 -0.070 0.000 2.297 166 K HA 0.237 4.628 4.320 -0.064 -0.109 0.286 166 K C -0.879 175.681 176.600 -0.067 0.000 1.053 166 K CA -0.057 56.192 56.287 -0.064 0.000 0.940 166 K CB 0.749 33.215 32.500 -0.055 0.000 1.019 166 K HN 0.102 8.312 8.250 -0.067 0.000 0.475 167 I N 4.679 125.212 120.570 -0.061 0.000 2.468 167 I HA 0.275 4.408 4.170 -0.061 0.000 0.284 167 I C -0.774 175.318 176.117 -0.043 0.000 1.038 167 I CA -1.605 59.661 61.300 -0.058 0.000 1.083 167 I CB 1.648 39.609 38.000 -0.064 0.000 1.223 167 I HN -0.270 7.904 8.210 -0.060 0.000 0.443 168 T N 4.669 119.202 114.554 -0.035 0.000 2.856 168 T HA -0.049 4.283 4.350 -0.030 0.000 0.306 168 T C 0.982 175.670 174.700 -0.021 0.000 1.062 168 T CA -0.805 61.278 62.100 -0.028 0.000 1.083 168 T CB 0.959 69.812 68.868 -0.024 0.000 0.984 168 T HN -0.038 8.181 8.240 -0.036 0.000 0.542 169 R N 0.948 121.437 120.500 -0.018 0.000 2.285 169 R HA -0.305 4.027 4.340 -0.012 0.000 0.213 169 R C 1.984 178.280 176.300 -0.006 0.000 1.068 169 R CA 2.411 58.504 56.100 -0.012 0.000 1.004 169 R CB -1.092 29.201 30.300 -0.011 0.000 0.873 169 R HN 0.697 8.956 8.270 -0.019 0.000 0.467 170 Q N -1.097 118.698 119.800 -0.008 0.000 2.181 170 Q HA -0.303 4.035 4.340 -0.005 0.000 0.205 170 Q C 2.501 178.505 176.000 0.005 0.000 0.980 170 Q CA 3.644 59.444 55.803 -0.005 0.000 0.862 170 Q CB -1.307 27.425 28.738 -0.010 0.000 0.905 170 Q HN 0.373 8.641 8.270 -0.012 -0.005 0.429 171 E N -0.456 119.752 120.200 0.013 0.000 2.107 171 E HA -0.242 4.141 4.350 0.056 0.000 0.191 171 E C 2.312 178.934 176.600 0.038 0.000 0.982 171 E CA 2.764 59.192 56.400 0.046 0.000 0.809 171 E CB -0.088 29.645 29.700 0.054 0.000 0.756 171 E HN -0.253 7.987 8.360 0.004 0.122 0.459 172 I N -1.356 119.224 120.570 0.017 0.000 2.454 172 I HA -0.352 3.829 4.170 0.018 0.000 0.254 172 I C 2.302 178.428 176.117 0.014 0.000 1.156 172 I CA 1.259 62.567 61.300 0.013 0.000 1.433 172 I CB -2.004 35.997 38.000 0.002 0.000 1.082 172 I HN -0.809 7.269 8.210 0.007 0.137 0.432 173 G N -0.350 108.456 108.800 0.010 0.000 2.476 173 G HA2 -0.384 3.578 3.960 0.004 0.000 0.218 173 G HA3 -0.384 3.956 3.960 0.008 -0.375 0.218 173 G C 1.569 176.476 174.900 0.011 0.000 1.164 173 G CA 2.256 47.361 45.100 0.008 0.000 0.768 173 G HN 0.177 8.352 8.290 0.007 0.120 0.560 174 Q N 1.392 121.199 119.800 0.011 0.000 1.990 174 Q HA -0.282 4.058 4.340 0.001 0.000 0.200 174 Q C 2.725 178.737 176.000 0.020 0.000 0.980 174 Q CA 2.245 58.052 55.803 0.007 0.000 0.832 174 Q CB -0.460 28.274 28.738 -0.007 0.000 0.897 174 Q HN -0.641 7.634 8.270 0.012 0.002 0.427 175 I N -2.067 118.525 120.570 0.038 0.000 2.394 175 I HA -0.453 3.745 4.170 0.046 0.000 0.251 175 I C 1.567 177.705 176.117 0.036 0.000 1.136 175 I CA 3.381 64.708 61.300 0.045 0.000 1.425 175 I CB -0.041 37.994 38.000 0.058 0.000 1.079 175 I HN -0.054 8.182 8.210 0.043 0.000 0.425 176 V N -5.238 114.695 119.914 0.031 0.000 2.949 176 V HA -0.118 4.025 4.120 0.039 0.000 0.245 176 V C 0.882 176.999 176.094 0.038 0.000 1.086 176 V CA 0.756 63.076 62.300 0.034 0.000 1.097 176 V CB 0.963 32.801 31.823 0.026 0.000 0.762 176 V HN -0.434 7.749 8.190 0.028 0.024 0.470 177 G N -1.620 107.197 108.800 0.030 0.000 2.231 177 G HA2 -0.281 3.929 3.960 0.038 0.000 0.206 177 G HA3 -0.281 3.685 3.960 0.026 0.009 0.206 177 G C -0.508 174.403 174.900 0.020 0.000 0.996 177 G CA -0.126 44.992 45.100 0.029 0.000 0.645 177 G HN -0.058 8.143 8.290 0.025 0.104 0.498 178 C N 1.687 120.996 119.300 0.016 0.000 2.493 178 C HA 0.394 4.859 4.460 0.008 0.000 0.326 178 C C -0.302 174.692 174.990 0.007 0.000 1.200 178 C CA -2.870 56.154 59.018 0.010 0.000 1.739 178 C CB 2.705 30.450 27.740 0.008 0.000 2.300 178 C HN -0.248 7.941 8.230 0.018 0.052 0.500 179 S N 3.328 119.031 115.700 0.004 0.000 2.537 179 S HA -0.011 4.461 4.470 0.002 0.000 0.286 179 S C 1.034 175.635 174.600 0.001 0.000 1.299 179 S CA 0.606 58.808 58.200 0.002 0.000 1.067 179 S CB 0.232 63.433 63.200 0.001 0.000 0.864 179 S HN 0.427 8.740 8.310 0.004 0.000 0.494 180 R N 3.038 123.538 120.500 -0.000 0.000 2.292 180 R HA -0.435 3.904 4.340 -0.002 0.000 0.215 180 R C -0.246 176.053 176.300 -0.003 0.000 1.050 180 R CA 1.901 57.999 56.100 -0.002 0.000 1.167 180 R CB -2.546 27.751 30.300 -0.005 0.000 1.076 180 R HN 0.562 8.832 8.270 0.001 0.000 0.550 181 E N -1.789 118.410 120.200 -0.001 0.000 2.207 181 E HA 0.074 4.423 4.350 -0.003 0.000 0.197 181 E C 1.186 177.785 176.600 -0.001 0.000 0.914 181 E CA 1.590 57.989 56.400 -0.002 0.000 0.914 181 E CB 0.304 30.003 29.700 -0.002 0.000 0.893 181 E HN 0.490 8.679 8.360 -0.000 0.170 0.479 182 T N 1.363 115.917 114.554 -0.000 0.000 2.701 182 T HA -0.153 4.197 4.350 -0.000 0.000 0.263 182 T C 2.210 176.910 174.700 0.001 0.000 1.040 182 T CA 3.264 65.364 62.100 0.000 0.000 1.147 182 T CB -0.164 68.704 68.868 0.001 0.000 0.865 182 T HN -0.496 7.745 8.240 0.000 0.000 0.426 183 V N 1.623 121.538 119.914 0.002 0.000 2.626 183 V HA -0.283 3.839 4.120 0.003 0.000 0.252 183 V C 0.951 177.044 176.094 -0.001 0.000 1.067 183 V CA 2.298 64.599 62.300 0.002 0.000 1.081 183 V CB -0.935 30.890 31.823 0.002 0.000 0.686 183 V HN -0.555 7.636 8.190 0.002 0.000 0.468 184 G N -2.381 106.417 108.800 -0.002 0.000 2.462 184 G HA2 -0.328 3.709 3.960 -0.004 0.000 0.220 184 G HA3 -0.328 3.599 3.960 -0.005 0.030 0.220 184 G C 0.251 175.149 174.900 -0.003 0.000 1.121 184 G CA 1.675 46.773 45.100 -0.004 0.000 0.758 184 G HN 0.205 8.500 8.290 -0.002 -0.006 0.559 185 R N -0.246 120.254 120.500 -0.001 0.000 2.062 185 R HA -0.264 4.075 4.340 -0.000 0.000 0.231 185 R C 2.325 178.625 176.300 0.001 0.000 1.136 185 R CA 2.989 59.089 56.100 0.000 0.000 0.948 185 R CB -0.137 30.163 30.300 0.001 0.000 0.845 185 R HN -0.183 7.897 8.270 -0.000 0.190 0.430 186 I N -0.617 119.953 120.570 0.001 0.000 2.179 186 I HA -0.367 3.805 4.170 0.004 0.000 0.242 186 I C 2.159 178.275 176.117 -0.002 0.000 1.088 186 I CA 3.148 64.449 61.300 0.001 0.000 1.357 186 I CB -0.712 37.289 38.000 0.002 0.000 1.051 186 I HN -0.928 7.147 8.210 0.000 0.135 0.409 187 L N -3.944 117.276 121.223 -0.005 0.000 2.362 187 L HA -0.276 4.057 4.340 -0.012 0.000 0.219 187 L C 1.955 178.820 176.870 -0.009 0.000 1.134 187 L CA 2.737 57.571 54.840 -0.010 0.000 0.807 187 L CB -1.178 40.873 42.059 -0.013 0.000 0.927 187 L HN 0.473 8.701 8.230 -0.004 0.000 0.447 188 K N -1.609 118.788 120.400 -0.005 0.000 2.167 188 K HA -0.189 4.127 4.320 -0.007 0.000 0.203 188 K C 1.451 178.052 176.600 0.001 0.000 1.052 188 K CA 1.876 58.160 56.287 -0.004 0.000 0.956 188 K CB 0.216 32.715 32.500 -0.003 0.000 0.735 188 K HN -0.412 7.684 8.250 -0.003 0.152 0.451 189 M N -0.719 118.883 119.600 0.004 0.000 2.319 189 M HA -0.157 4.330 4.480 0.012 0.000 0.265 189 M C 1.414 177.722 176.300 0.014 0.000 1.068 189 M CA 3.033 58.339 55.300 0.010 0.000 1.118 189 M CB 0.016 32.623 32.600 0.011 0.000 1.395 189 M HN -0.698 7.433 8.290 0.002 0.160 0.435 190 L N -0.523 120.704 121.223 0.006 0.000 2.012 190 L HA -0.470 3.875 4.340 0.009 0.000 0.210 190 L C 2.173 179.047 176.870 0.007 0.000 1.073 190 L CA 3.274 58.114 54.840 0.001 0.000 0.748 190 L CB -0.983 41.067 42.059 -0.015 0.000 0.891 190 L HN -0.090 8.027 8.230 0.001 0.113 0.431 191 E N -2.230 117.971 120.200 0.002 0.000 2.338 191 E HA -0.257 4.098 4.350 0.008 0.000 0.197 191 E C 0.813 177.431 176.600 0.030 0.000 1.007 191 E CA 1.947 58.352 56.400 0.009 0.000 0.849 191 E CB -0.244 29.453 29.700 -0.005 0.000 0.774 191 E HN -0.422 7.936 8.360 -0.004 0.000 0.506 192 D N -4.181 116.236 120.400 0.029 0.000 2.349 192 D HA 0.033 4.694 4.640 0.036 0.000 0.215 192 D C -1.323 175.011 176.300 0.057 0.000 1.016 192 D CA 0.542 54.563 54.000 0.036 0.000 0.870 192 D CB -0.239 40.576 40.800 0.025 0.000 0.917 192 D HN -0.860 7.318 8.370 0.022 0.205 0.524 193 Q N -4.531 115.313 119.800 0.072 0.000 2.494 193 Q HA -0.446 4.287 4.340 0.122 -0.320 0.266 193 Q C 0.102 176.155 176.000 0.088 0.000 1.053 193 Q CA 1.155 57.028 55.803 0.117 0.000 1.029 193 Q CB -2.676 26.172 28.738 0.182 0.000 1.423 193 Q HN -0.112 7.959 8.270 0.055 0.232 0.516 194 N N -2.506 116.227 118.700 0.056 0.000 2.412 194 N HA -0.116 4.650 4.740 0.043 0.000 0.184 194 N C -0.984 174.550 175.510 0.040 0.000 1.101 194 N CA 1.754 54.830 53.050 0.042 0.000 0.881 194 N CB 0.935 39.439 38.487 0.028 0.000 0.969 194 N HN -0.074 8.299 8.380 0.047 0.036 0.459 195 L N -4.742 116.508 121.223 0.045 0.000 3.195 195 L HA 0.064 4.426 4.340 0.036 0.000 0.290 195 L C -1.795 175.101 176.870 0.043 0.000 1.092 195 L CA 0.673 55.535 54.840 0.037 0.000 1.094 195 L CB 2.195 44.267 42.059 0.021 0.000 1.743 195 L HN -0.682 7.508 8.230 0.051 0.071 0.579 196 I N -8.099 112.499 120.570 0.047 0.000 3.637 196 I HA 0.199 4.397 4.170 0.047 0.000 0.304 196 I C -2.268 173.856 176.117 0.013 0.000 1.222 196 I CA -1.034 60.276 61.300 0.017 0.000 1.170 196 I CB 3.267 41.246 38.000 -0.034 0.000 1.234 196 I HN -0.861 7.380 8.210 0.052 0.000 0.419 197 S N 0.954 116.575 115.700 -0.131 0.000 2.461 197 S HA 0.225 4.896 4.470 -0.027 -0.218 0.245 197 S C -1.772 172.724 174.600 -0.173 0.000 1.039 197 S CA -0.028 58.073 58.200 -0.165 0.000 1.077 197 S CB 0.558 63.501 63.200 -0.428 0.000 1.171 197 S HN 0.008 8.234 8.310 -0.140 0.000 0.433 198 A N 8.072 130.848 122.820 -0.072 0.000 2.260 198 A HA 0.369 4.762 4.320 -0.082 -0.123 0.312 198 A C -0.784 176.792 177.584 -0.014 0.000 1.321 198 A CA -1.040 50.962 52.037 -0.057 0.000 0.928 198 A CB 0.871 19.843 19.000 -0.048 0.000 1.158 198 A HN -0.062 7.975 8.150 -0.037 0.090 0.542 199 H N 8.053 127.044 119.070 -0.132 0.000 3.045 199 H HA -0.058 4.451 4.556 -0.077 0.000 0.254 199 H C -0.021 175.254 175.328 -0.088 0.000 1.747 199 H CA 0.358 56.340 56.048 -0.110 0.000 1.444 199 H CB -0.859 28.805 29.762 -0.164 0.000 1.778 199 H HN 0.276 8.564 8.280 0.014 0.000 0.544 200 G N 6.464 115.163 108.800 -0.167 0.000 2.650 200 G HA2 -0.385 3.477 3.960 -0.164 0.000 0.264 200 G HA3 -0.385 3.491 3.960 -0.139 0.000 0.264 200 G C -0.284 174.568 174.900 -0.080 0.000 1.263 200 G CA 0.893 45.908 45.100 -0.142 0.000 0.960 200 G HN -0.080 8.095 8.290 -0.138 0.032 0.548 201 K N 3.314 123.673 120.400 -0.067 0.000 2.353 201 K HA 0.149 4.439 4.320 -0.050 0.000 0.195 201 K C -0.735 175.834 176.600 -0.052 0.000 1.031 201 K CA -0.414 55.841 56.287 -0.053 0.000 1.079 201 K CB 0.431 32.903 32.500 -0.047 0.000 0.857 201 K HN 0.236 8.443 8.250 -0.072 0.000 0.535 202 T N 1.563 116.087 114.554 -0.050 0.000 2.832 202 T HA 0.005 4.319 4.350 -0.060 0.000 0.296 202 T C -1.337 173.324 174.700 -0.065 0.000 0.968 202 T CA 0.478 62.544 62.100 -0.055 0.000 1.107 202 T CB 0.368 69.207 68.868 -0.048 0.000 0.916 202 T HN -0.727 7.439 8.240 -0.050 0.044 0.517 203 I N 6.493 127.015 120.570 -0.080 0.000 2.362 203 I HA -0.015 4.096 4.170 -0.097 0.000 0.289 203 I C -1.971 174.070 176.117 -0.128 0.000 0.994 203 I CA -0.598 60.645 61.300 -0.096 0.000 1.158 203 I CB 2.066 40.020 38.000 -0.076 0.000 1.315 203 I HN 0.067 8.120 8.210 -0.078 0.110 0.451 204 V N 9.686 129.483 119.914 -0.194 0.000 2.313 204 V HA 0.157 4.180 4.120 -0.162 0.000 0.278 204 V C -0.829 175.086 176.094 -0.299 0.000 1.017 204 V CA -1.732 60.419 62.300 -0.248 0.000 0.823 204 V CB 1.548 33.157 31.823 -0.355 0.000 1.010 204 V HN 0.878 8.827 8.190 -0.211 0.115 0.443 205 V N 6.972 126.797 119.914 -0.148 0.000 2.381 205 V HA 0.068 4.263 4.120 -0.070 -0.117 0.257 205 V C 0.258 176.335 176.094 -0.028 0.000 1.057 205 V CA -0.963 61.294 62.300 -0.071 0.000 1.013 205 V CB -1.638 30.169 31.823 -0.026 0.000 1.069 205 V HN 0.027 8.151 8.190 -0.110 0.000 0.484 206 Y N 8.101 128.415 120.300 0.023 0.000 2.040 206 Y HA -0.407 4.168 4.550 0.042 0.000 0.275 206 Y C 1.270 177.179 175.900 0.014 0.000 1.171 206 Y CA 3.398 61.513 58.100 0.026 0.000 1.123 206 Y CB 0.632 39.104 38.460 0.021 0.000 0.963 206 Y HN -0.282 7.886 8.280 -0.161 0.016 0.493 207 G N -5.752 103.169 108.800 0.201 0.000 4.081 207 G HA2 -0.097 3.918 3.960 0.092 0.000 0.192 207 G HA3 -0.097 3.909 3.960 0.077 0.000 0.192 207 G C -0.072 174.873 174.900 0.075 0.000 0.917 207 G CA 0.407 45.569 45.100 0.104 0.000 0.915 207 G HN -0.608 7.820 8.290 0.229 0.000 0.330 208 T N 0.302 114.905 114.554 0.082 0.000 2.951 208 T HA -0.019 4.353 4.350 0.036 0.000 0.268 208 T C 0.806 175.541 174.700 0.057 0.000 1.073 208 T CA 0.838 62.970 62.100 0.053 0.000 1.134 208 T CB 0.459 69.350 68.868 0.038 0.000 0.884 208 T HN -0.320 7.985 8.240 0.108 0.000 0.479 209 R N 0.000 120.550 120.500 0.083 0.000 2.786 209 R HA 0.000 4.366 4.340 0.044 0.000 0.208 209 R CA 0.000 56.138 56.100 0.064 0.000 0.921 209 R CB 0.000 30.338 30.300 0.063 0.000 0.687 209 R HN 0.000 8.310 8.270 0.120 0.032 0.535