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 1yg8_1_D DATA FIRST_RESID 15 DATA SEQUENCE RSFDIYSRLL KERVIFLTGQ VEDHMANLIV AQMLFLEAEN PEKDIYLYIN DATA SEQUENCE SPGGVITAGM SIYDTMQFIK PDVSTICMGQ AASMGAFLLT AGAKGKRFCL DATA SEQUENCE PNSRVMIHQP LGGYQGQATD IEIHAREILK VKGRMNELMA LHTGQSLEQI DATA SEQUENCE ERDTERDRFL SAPEAVEYGL VDSILTHRN 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 15 R HA 0.000 4.340 4.340 0.000 0.000 0.208 15 R C 0.000 176.351 176.300 0.085 0.000 0.893 15 R CA 0.000 56.131 56.100 0.052 0.000 0.921 15 R CB 0.000 30.310 30.300 0.017 0.000 0.687 16 S N -0.643 115.099 115.700 0.069 0.000 3.214 16 S HA -0.278 4.188 4.470 -0.007 0.000 0.342 16 S C 0.638 175.299 174.600 0.102 0.000 1.204 16 S CA 1.581 59.809 58.200 0.048 0.000 0.984 16 S CB -1.750 61.461 63.200 0.018 0.000 0.975 16 S HN 0.545 8.855 8.310 0.000 0.000 0.607 17 F N 2.329 122.259 119.950 -0.033 0.000 2.293 17 F HA 0.249 4.777 4.527 0.001 0.000 0.300 17 F C 0.905 176.681 175.800 -0.040 0.000 1.086 17 F CA 1.253 59.234 58.000 -0.031 0.000 1.375 17 F CB 0.071 39.060 39.000 -0.018 0.000 1.045 17 F HN 0.460 8.760 8.300 0.000 0.000 0.516 18 D N -0.177 120.197 120.400 -0.043 0.000 2.476 18 D HA 0.112 4.748 4.640 -0.007 0.000 0.251 18 D C 0.776 177.013 176.300 -0.104 0.000 1.291 18 D CA -0.266 53.650 54.000 -0.140 0.000 0.939 18 D CB 0.579 41.320 40.800 -0.097 0.000 1.221 18 D HN 0.157 8.527 8.370 0.000 0.000 0.567 19 I N 3.870 124.309 120.570 -0.219 0.000 2.226 19 I HA -0.249 3.917 4.170 -0.007 0.000 0.245 19 I C 1.174 177.151 176.117 -0.234 0.000 1.100 19 I CA 1.461 62.598 61.300 -0.272 0.000 1.374 19 I CB -0.013 37.730 38.000 -0.428 0.000 1.057 19 I HN 0.423 8.633 8.210 0.000 0.000 0.413 20 Y N 0.243 120.527 120.300 -0.027 0.000 2.224 20 Y HA -0.176 4.369 4.550 -0.007 0.000 0.289 20 Y C 2.838 178.773 175.900 0.059 0.000 1.146 20 Y CA 1.386 59.504 58.100 0.031 0.000 1.182 20 Y CB -1.135 37.333 38.460 0.013 0.000 0.983 20 Y HN 0.151 8.431 8.280 0.000 0.000 0.524 21 S N -0.479 115.312 115.700 0.153 0.000 2.406 21 S HA -0.105 4.361 4.470 -0.007 0.000 0.228 21 S C 2.099 176.760 174.600 0.101 0.000 1.020 21 S CA 0.613 58.873 58.200 0.101 0.000 0.965 21 S CB -0.082 63.151 63.200 0.055 0.000 0.798 21 S HN 0.375 8.685 8.310 0.000 0.000 0.488 22 R N 0.866 121.413 120.500 0.078 0.000 2.081 22 R HA 0.034 4.370 4.340 -0.007 0.000 0.235 22 R C 2.126 178.484 176.300 0.095 0.000 1.131 22 R CA 0.958 57.101 56.100 0.072 0.000 0.960 22 R CB -0.716 29.606 30.300 0.036 0.000 0.856 22 R HN 0.388 8.658 8.270 0.000 0.000 0.436 23 L N 0.640 121.937 121.223 0.123 0.000 2.201 23 L HA -0.147 4.188 4.340 -0.007 0.000 0.212 23 L C 2.287 179.264 176.870 0.179 0.000 1.105 23 L CA 0.278 55.214 54.840 0.161 0.000 0.775 23 L CB -0.291 41.928 42.059 0.267 0.000 0.913 23 L HN 0.116 8.346 8.230 0.000 0.000 0.440 24 L N -0.061 121.277 121.223 0.192 0.000 2.265 24 L HA -0.172 4.164 4.340 -0.007 0.000 0.215 24 L C 2.150 179.149 176.870 0.215 0.000 1.117 24 L CA 1.697 56.660 54.840 0.205 0.000 0.782 24 L CB -0.485 41.680 42.059 0.177 0.000 0.914 24 L HN 0.100 8.330 8.230 0.000 0.000 0.441 25 K N -0.867 119.636 120.400 0.171 0.000 2.418 25 K HA 0.015 4.331 4.320 -0.007 0.000 0.195 25 K C 1.111 177.781 176.600 0.116 0.000 1.035 25 K CA 0.414 56.791 56.287 0.150 0.000 1.003 25 K CB 0.211 32.782 32.500 0.118 0.000 0.793 25 K HN 0.202 8.452 8.250 0.000 0.000 0.494 26 E N 0.508 120.776 120.200 0.113 0.000 2.474 26 E HA 0.078 4.423 4.350 -0.007 0.000 0.195 26 E C -0.471 176.200 176.600 0.118 0.000 1.039 26 E CA 0.010 56.459 56.400 0.082 0.000 0.881 26 E CB 0.354 30.082 29.700 0.048 0.000 0.970 26 E HN 0.133 8.493 8.360 0.000 0.000 0.486 27 R N -0.331 120.265 120.500 0.160 0.000 3.322 27 R HA -0.111 4.225 4.340 -0.007 0.000 0.266 27 R C -0.815 175.629 176.300 0.240 0.000 1.072 27 R CA 0.243 56.463 56.100 0.200 0.000 0.715 27 R CB -2.291 28.136 30.300 0.211 0.000 1.199 27 R HN -0.103 8.167 8.270 0.000 0.000 0.421 28 V N 2.370 122.390 119.914 0.176 0.000 2.304 28 V HA 0.397 4.512 4.120 -0.007 0.000 0.278 28 V C 0.564 176.684 176.094 0.043 0.000 1.018 28 V CA -0.472 61.896 62.300 0.112 0.000 0.814 28 V CB 1.394 33.260 31.823 0.072 0.000 1.021 28 V HN 0.187 8.377 8.190 0.000 0.000 0.440 29 I N 4.447 125.021 120.570 0.006 0.000 2.428 29 I HA 0.480 4.646 4.170 -0.007 0.000 0.296 29 I C -0.606 175.425 176.117 -0.143 0.000 0.985 29 I CA -0.264 61.045 61.300 0.015 0.000 1.260 29 I CB 1.435 39.467 38.000 0.052 0.000 1.389 29 I HN 0.350 8.560 8.210 0.000 0.000 0.484 30 F N 5.956 125.944 119.950 0.063 0.000 2.458 30 F HA 0.422 4.944 4.527 -0.008 0.000 0.336 30 F C -0.352 175.448 175.800 -0.001 0.000 1.114 30 F CA -0.785 57.241 58.000 0.043 0.000 0.987 30 F CB 1.703 40.661 39.000 -0.071 0.000 1.130 30 F HN 0.161 8.461 8.300 0.000 0.000 0.458 31 L N 4.042 125.387 121.223 0.204 0.000 2.318 31 L HA 0.624 4.959 4.340 -0.007 0.000 0.277 31 L C -0.813 176.142 176.870 0.140 0.000 1.008 31 L CA -0.224 54.693 54.840 0.128 0.000 0.846 31 L CB 0.543 42.661 42.059 0.097 0.000 1.220 31 L HN 0.532 8.762 8.230 0.000 0.000 0.423 32 T N 3.616 118.225 114.554 0.092 0.000 2.861 32 T HA 0.857 5.202 4.350 -0.007 0.000 0.287 32 T C 0.051 174.775 174.700 0.040 0.000 1.003 32 T CA 0.011 62.153 62.100 0.069 0.000 0.977 32 T CB 1.559 70.447 68.868 0.034 0.000 0.996 32 T HN 1.218 9.458 8.240 0.000 0.000 0.448 33 G N 2.155 110.981 108.800 0.043 0.000 2.660 33 G HA2 -0.163 3.792 3.960 -0.007 0.000 0.215 33 G HA3 -0.163 3.792 3.960 -0.007 0.000 0.215 33 G C -0.541 174.380 174.900 0.035 0.000 1.345 33 G CA -0.829 44.290 45.100 0.032 0.000 0.877 33 G HN 0.850 9.140 8.290 0.000 0.000 0.549 34 Q N -0.956 118.862 119.800 0.030 0.000 2.361 34 Q HA 0.400 4.736 4.340 -0.007 0.000 0.276 34 Q C 0.369 176.390 176.000 0.035 0.000 1.022 34 Q CA -0.147 55.675 55.803 0.031 0.000 0.898 34 Q CB 0.840 29.595 28.738 0.028 0.000 1.246 34 Q HN 0.566 8.836 8.270 0.000 0.000 0.410 35 V N 4.095 124.030 119.914 0.036 0.000 2.385 35 V HA 0.182 4.297 4.120 -0.007 0.000 0.269 35 V C -0.331 175.784 176.094 0.035 0.000 1.043 35 V CA -0.059 62.264 62.300 0.039 0.000 0.906 35 V CB 0.846 32.694 31.823 0.042 0.000 0.995 35 V HN 0.814 9.004 8.190 0.000 0.000 0.467 36 E N 2.237 122.461 120.200 0.039 0.000 2.413 36 E HA 0.408 4.753 4.350 -0.007 0.000 0.277 36 E C 0.050 176.667 176.600 0.028 0.000 0.958 36 E CA -0.779 55.644 56.400 0.039 0.000 0.779 36 E CB 0.818 30.552 29.700 0.057 0.000 1.278 36 E HN 0.187 8.547 8.360 0.000 0.000 0.456 37 D N 0.280 120.677 120.400 -0.005 0.000 2.200 37 D HA -0.232 4.403 4.640 -0.007 0.000 0.192 37 D C 1.134 177.332 176.300 -0.170 0.000 1.008 37 D CA 2.165 56.101 54.000 -0.107 0.000 0.872 37 D CB -0.185 40.496 40.800 -0.198 0.000 0.923 37 D HN 0.622 8.992 8.370 0.000 0.000 0.447 38 H N -0.790 118.288 119.070 0.014 0.000 2.403 38 H HA 0.013 4.564 4.556 -0.008 0.000 0.298 38 H C 2.071 177.404 175.328 0.009 0.000 1.059 38 H CA 1.408 57.462 56.048 0.011 0.000 1.363 38 H CB -0.088 29.678 29.762 0.006 0.000 1.410 38 H HN 0.194 8.474 8.280 0.000 0.000 0.528 39 M N -0.474 119.195 119.600 0.115 0.000 2.394 39 M HA 0.211 4.687 4.480 -0.007 0.000 0.264 39 M C 2.182 178.510 176.300 0.047 0.000 1.073 39 M CA 1.552 56.891 55.300 0.064 0.000 1.111 39 M CB -0.170 32.457 32.600 0.045 0.000 1.401 39 M HN 0.124 8.414 8.290 0.000 0.000 0.448 40 A N 1.039 123.882 122.820 0.038 0.000 1.872 40 A HA -0.101 4.215 4.320 -0.007 0.000 0.214 40 A C 2.325 179.923 177.584 0.023 0.000 1.187 40 A CA 1.688 53.743 52.037 0.030 0.000 0.614 40 A CB -1.040 17.971 19.000 0.019 0.000 0.826 40 A HN 0.650 8.800 8.150 0.000 0.000 0.442 41 N N 0.117 118.817 118.700 -0.000 0.000 2.166 41 N HA -0.144 4.592 4.740 -0.007 0.000 0.186 41 N C 1.641 177.169 175.510 0.030 0.000 1.019 41 N CA 1.518 54.569 53.050 0.001 0.000 0.856 41 N CB -0.367 38.099 38.487 -0.036 0.000 0.993 41 N HN 0.341 8.721 8.380 0.000 0.000 0.426 42 L N 0.883 122.129 121.223 0.038 0.000 2.131 42 L HA 0.021 4.357 4.340 -0.007 0.000 0.210 42 L C 2.210 179.102 176.870 0.037 0.000 1.092 42 L CA 0.913 55.773 54.840 0.034 0.000 0.759 42 L CB -0.199 41.876 42.059 0.027 0.000 0.903 42 L HN 0.171 8.401 8.230 0.000 0.000 0.435 43 I N -2.320 118.275 120.570 0.042 0.000 2.353 43 I HA -0.221 3.944 4.170 -0.007 0.000 0.248 43 I C 2.224 178.379 176.117 0.063 0.000 1.119 43 I CA 0.561 61.892 61.300 0.052 0.000 1.417 43 I CB -0.168 37.864 38.000 0.053 0.000 1.078 43 I HN -0.002 8.208 8.210 0.000 0.000 0.421 44 V N 1.107 121.056 119.914 0.060 0.000 2.295 44 V HA -0.313 3.803 4.120 -0.007 0.000 0.246 44 V C 2.743 178.889 176.094 0.086 0.000 1.049 44 V CA 2.115 64.457 62.300 0.070 0.000 1.024 44 V CB -0.962 30.896 31.823 0.059 0.000 0.648 44 V HN 0.494 8.684 8.190 0.000 0.000 0.447 45 A N -0.977 121.890 122.820 0.077 0.000 1.940 45 A HA -0.311 4.004 4.320 -0.007 0.000 0.219 45 A C 2.153 179.817 177.584 0.133 0.000 1.176 45 A CA 2.097 54.189 52.037 0.092 0.000 0.631 45 A CB -0.495 18.539 19.000 0.056 0.000 0.814 45 A HN 0.655 8.805 8.150 0.000 0.000 0.446 46 Q N -1.132 118.732 119.800 0.108 0.000 2.119 46 Q HA -0.103 4.232 4.340 -0.007 0.000 0.201 46 Q C 2.199 178.343 176.000 0.239 0.000 0.972 46 Q CA 1.618 57.516 55.803 0.159 0.000 0.847 46 Q CB -0.249 28.551 28.738 0.105 0.000 0.903 46 Q HN 0.737 9.007 8.270 0.000 0.000 0.433 47 M N 0.152 119.842 119.600 0.149 0.000 2.059 47 M HA -0.184 4.291 4.480 -0.007 0.000 0.259 47 M C 2.156 178.520 176.300 0.107 0.000 1.072 47 M CA 1.484 56.850 55.300 0.110 0.000 1.117 47 M CB -0.341 32.301 32.600 0.070 0.000 1.320 47 M HN 0.200 8.490 8.290 0.000 0.000 0.408 48 L N -0.644 120.653 121.223 0.123 0.000 2.043 48 L HA -0.258 4.078 4.340 -0.007 0.000 0.212 48 L C 2.546 179.478 176.870 0.103 0.000 1.075 48 L CA 1.435 56.340 54.840 0.108 0.000 0.752 48 L CB -0.765 41.372 42.059 0.131 0.000 0.891 48 L HN 0.266 8.496 8.230 0.000 0.000 0.432 49 F N 0.572 120.541 119.950 0.032 0.000 2.095 49 F HA -0.243 4.279 4.527 -0.008 0.000 0.298 49 F C 2.191 178.005 175.800 0.024 0.000 1.104 49 F CA 1.609 59.628 58.000 0.031 0.000 1.232 49 F CB -0.244 38.779 39.000 0.039 0.000 0.987 49 F HN -0.126 8.174 8.300 0.000 0.000 0.475 50 L N 0.092 121.261 121.223 -0.090 0.000 2.201 50 L HA -0.150 4.185 4.340 -0.007 0.000 0.212 50 L C 2.464 179.227 176.870 -0.178 0.000 1.105 50 L CA 1.577 56.307 54.840 -0.183 0.000 0.775 50 L CB -0.741 41.348 42.059 0.050 0.000 0.913 50 L HN 0.367 8.597 8.230 0.000 0.000 0.440 51 E N 0.733 120.859 120.200 -0.124 0.000 2.006 51 E HA -0.231 4.114 4.350 -0.007 0.000 0.192 51 E C 2.256 178.768 176.600 -0.147 0.000 0.993 51 E CA 1.185 57.513 56.400 -0.120 0.000 0.808 51 E CB -0.064 29.573 29.700 -0.105 0.000 0.764 51 E HN 0.343 8.703 8.360 0.000 0.000 0.449 52 A N 1.566 124.296 122.820 -0.150 0.000 1.954 52 A HA -0.301 4.015 4.320 -0.007 0.000 0.222 52 A C 2.058 179.530 177.584 -0.187 0.000 1.199 52 A CA 2.162 54.111 52.037 -0.147 0.000 0.657 52 A CB -0.770 18.153 19.000 -0.127 0.000 0.823 52 A HN 0.396 8.546 8.150 0.000 0.000 0.463 53 E N -0.568 119.454 120.200 -0.297 0.000 2.031 53 E HA -0.116 4.230 4.350 -0.007 0.000 0.193 53 E C 0.449 176.962 176.600 -0.145 0.000 0.994 53 E CA 1.057 57.306 56.400 -0.253 0.000 0.800 53 E CB -0.169 29.326 29.700 -0.343 0.000 0.752 53 E HN 0.614 8.974 8.360 0.000 0.000 0.447 54 N N -0.613 118.007 118.700 -0.133 0.000 2.599 54 N HA 0.074 4.810 4.740 -0.007 0.000 0.283 54 N C -2.499 172.958 175.510 -0.089 0.000 1.160 54 N CA -1.327 51.670 53.050 -0.088 0.000 0.869 54 N CB 1.803 40.253 38.487 -0.061 0.000 1.448 54 N HN -0.227 8.153 8.380 0.000 0.000 0.535 55 P HA 0.075 4.495 4.420 0.000 0.000 0.241 55 P C 0.337 177.587 177.300 -0.085 0.000 1.191 55 P CA 0.732 63.774 63.100 -0.095 0.000 0.771 55 P CB 0.810 32.452 31.700 -0.096 0.000 0.929 56 E N -0.265 119.895 120.200 -0.067 0.000 2.415 56 E HA 0.119 4.465 4.350 -0.007 0.000 0.197 56 E C 0.509 177.079 176.600 -0.051 0.000 1.007 56 E CA 0.376 56.742 56.400 -0.057 0.000 0.890 56 E CB 0.071 29.745 29.700 -0.043 0.000 0.891 56 E HN 0.252 8.612 8.360 0.000 0.000 0.496 57 K N 1.044 121.415 120.400 -0.047 0.000 2.118 57 K HA 0.186 4.502 4.320 -0.007 0.000 0.267 57 K C -0.716 175.847 176.600 -0.062 0.000 0.991 57 K CA -0.748 55.520 56.287 -0.032 0.000 0.916 57 K CB 0.898 33.399 32.500 0.001 0.000 1.041 57 K HN -0.089 8.161 8.250 0.000 0.000 0.455 58 D N 1.879 122.230 120.400 -0.080 0.000 2.425 58 D HA 0.112 4.748 4.640 -0.007 0.000 0.247 58 D C -0.099 176.012 176.300 -0.314 0.000 1.147 58 D CA 0.255 54.111 54.000 -0.239 0.000 0.879 58 D CB 0.447 41.045 40.800 -0.335 0.000 1.179 58 D HN 0.229 8.599 8.370 0.000 0.000 0.456 59 I N 2.367 122.722 120.570 -0.358 0.000 2.498 59 I HA 0.255 4.420 4.170 -0.007 0.000 0.301 59 I C -0.631 175.220 176.117 -0.442 0.000 0.984 59 I CA -0.803 60.369 61.300 -0.214 0.000 1.204 59 I CB 0.912 38.852 38.000 -0.100 0.000 1.362 59 I HN 0.213 8.423 8.210 0.000 0.000 0.471 60 Y N 5.571 125.844 120.300 -0.044 0.000 2.331 60 Y HA 0.516 5.062 4.550 -0.008 0.000 0.334 60 Y C -0.588 175.237 175.900 -0.125 0.000 0.960 60 Y CA -0.883 57.156 58.100 -0.102 0.000 1.130 60 Y CB 1.587 39.980 38.460 -0.112 0.000 1.164 60 Y HN 0.291 8.571 8.280 0.000 0.000 0.458 61 L N 4.751 125.946 121.223 -0.046 0.000 2.295 61 L HA 0.528 4.864 4.340 -0.007 0.000 0.281 61 L C -1.576 175.224 176.870 -0.116 0.000 1.018 61 L CA -0.735 54.069 54.840 -0.059 0.000 0.841 61 L CB -0.024 42.013 42.059 -0.036 0.000 1.218 61 L HN 0.493 8.723 8.230 0.000 0.000 0.424 62 Y N 5.234 125.418 120.300 -0.192 0.000 2.319 62 Y HA 0.497 5.043 4.550 -0.007 0.000 0.328 62 Y C 0.198 176.106 175.900 0.013 0.000 1.133 62 Y CA 0.298 58.333 58.100 -0.108 0.000 1.265 62 Y CB 0.996 39.317 38.460 -0.232 0.000 1.218 62 Y HN 0.441 8.721 8.280 0.000 0.000 0.508 63 I N 3.611 124.297 120.570 0.192 0.000 2.466 63 I HA 0.280 4.445 4.170 -0.007 0.000 0.289 63 I C -0.842 175.375 176.117 0.167 0.000 1.026 63 I CA -0.791 60.602 61.300 0.156 0.000 1.078 63 I CB 1.821 39.875 38.000 0.089 0.000 1.249 63 I HN 0.542 8.752 8.210 0.000 0.000 0.429 64 N N 4.194 122.986 118.700 0.154 0.000 2.701 64 N HA 0.345 5.081 4.740 -0.007 0.000 0.258 64 N C -1.779 173.787 175.510 0.094 0.000 1.262 64 N CA -0.106 53.019 53.050 0.124 0.000 0.780 64 N CB 1.544 40.114 38.487 0.137 0.000 1.380 64 N HN 0.601 8.981 8.380 0.000 0.000 0.548 65 S N 2.411 118.155 115.700 0.075 0.000 2.579 65 S HA 0.709 5.174 4.470 -0.007 0.000 0.272 65 S C -2.564 172.061 174.600 0.040 0.000 1.141 65 S CA -1.121 57.114 58.200 0.057 0.000 0.843 65 S CB 1.816 65.051 63.200 0.058 0.000 1.122 65 S HN 0.362 8.672 8.310 0.000 0.000 0.468 66 P HA 0.359 4.779 4.420 0.000 0.000 0.275 66 P C 0.681 177.975 177.300 -0.010 0.000 1.310 66 P CA 0.558 63.665 63.100 0.012 0.000 0.904 66 P CB 0.399 32.113 31.700 0.022 0.000 1.381 67 G N -1.034 107.769 108.800 0.006 0.000 2.342 67 G HA2 0.334 4.290 3.960 -0.007 0.000 0.220 67 G HA3 0.334 4.290 3.960 -0.007 0.000 0.220 67 G C -0.355 174.558 174.900 0.021 0.000 1.243 67 G CA -0.192 44.910 45.100 0.004 0.000 1.083 67 G HN 0.554 8.844 8.290 0.000 0.000 0.500 68 G N -2.706 106.108 108.800 0.023 0.000 2.356 68 G HA2 0.530 4.485 3.960 -0.007 0.000 0.266 68 G HA3 0.530 4.485 3.960 -0.007 0.000 0.266 68 G C -0.555 174.356 174.900 0.019 0.000 1.312 68 G CA 0.580 45.695 45.100 0.025 0.000 0.922 68 G HN 1.843 10.133 8.290 0.000 0.000 0.480 69 V N 1.602 121.526 119.914 0.016 0.000 2.655 69 V HA 0.185 4.301 4.120 -0.007 0.000 0.300 69 V C 1.832 177.921 176.094 -0.009 0.000 1.044 69 V CA 0.267 62.570 62.300 0.005 0.000 1.095 69 V CB 1.037 32.865 31.823 0.009 0.000 0.952 69 V HN 0.616 8.806 8.190 0.000 0.000 0.485 70 I N 3.158 123.710 120.570 -0.030 0.000 2.193 70 I HA -0.172 3.994 4.170 -0.007 0.000 0.240 70 I C 2.609 178.693 176.117 -0.054 0.000 1.084 70 I CA 1.772 63.032 61.300 -0.067 0.000 1.365 70 I CB -0.380 37.559 38.000 -0.103 0.000 1.064 70 I HN 0.955 9.165 8.210 0.000 0.000 0.410 71 T N -0.205 114.327 114.554 -0.036 0.000 2.803 71 T HA -0.174 4.172 4.350 -0.007 0.000 0.269 71 T C 1.939 176.636 174.700 -0.004 0.000 1.052 71 T CA 1.157 63.244 62.100 -0.021 0.000 1.136 71 T CB -0.564 68.294 68.868 -0.016 0.000 0.864 71 T HN 0.368 8.608 8.240 0.000 0.000 0.467 72 A N 1.920 124.739 122.820 -0.003 0.000 1.873 72 A HA 0.299 4.615 4.320 -0.007 0.000 0.215 72 A C 2.774 180.379 177.584 0.034 0.000 1.186 72 A CA 1.502 53.544 52.037 0.008 0.000 0.616 72 A CB -1.557 17.446 19.000 0.005 0.000 0.823 72 A HN 0.593 8.743 8.150 0.000 0.000 0.442 73 G N -1.012 107.809 108.800 0.035 0.000 2.432 73 G HA2 -0.175 3.780 3.960 -0.007 0.000 0.219 73 G HA3 -0.175 3.780 3.960 -0.007 0.000 0.219 73 G C 1.417 176.394 174.900 0.130 0.000 1.135 73 G CA 1.338 46.485 45.100 0.078 0.000 0.767 73 G HN 0.318 8.608 8.290 0.000 0.000 0.550 74 M N 1.878 121.525 119.600 0.077 0.000 2.175 74 M HA -0.020 4.456 4.480 -0.007 0.000 0.264 74 M C 2.893 179.301 176.300 0.180 0.000 1.063 74 M CA 1.319 56.703 55.300 0.140 0.000 1.119 74 M CB -1.046 31.579 32.600 0.041 0.000 1.377 74 M HN 0.418 8.708 8.290 0.000 0.000 0.415 75 S N 0.212 115.972 115.700 0.101 0.000 2.399 75 S HA -0.096 4.369 4.470 -0.007 0.000 0.231 75 S C 1.996 176.657 174.600 0.102 0.000 1.022 75 S CA 0.996 59.243 58.200 0.079 0.000 0.983 75 S CB -0.681 62.540 63.200 0.036 0.000 0.803 75 S HN 0.494 8.804 8.310 0.000 0.000 0.480 76 I N -0.133 120.510 120.570 0.122 0.000 2.233 76 I HA -0.069 4.096 4.170 -0.007 0.000 0.243 76 I C 2.486 178.688 176.117 0.142 0.000 1.093 76 I CA 1.550 62.920 61.300 0.117 0.000 1.380 76 I CB -0.602 37.468 38.000 0.116 0.000 1.067 76 I HN 0.282 8.492 8.210 0.000 0.000 0.413 77 Y N 2.332 122.688 120.300 0.093 0.000 2.040 77 Y HA -0.394 4.152 4.550 -0.007 0.000 0.275 77 Y C 2.292 178.251 175.900 0.099 0.000 1.171 77 Y CA 2.151 60.317 58.100 0.110 0.000 1.123 77 Y CB -0.431 38.157 38.460 0.214 0.000 0.963 77 Y HN 0.212 8.492 8.280 0.000 0.000 0.493 78 D N -0.903 119.572 120.400 0.124 0.000 2.123 78 D HA -0.165 4.470 4.640 -0.007 0.000 0.196 78 D C 2.160 178.478 176.300 0.031 0.000 0.992 78 D CA 2.015 56.036 54.000 0.035 0.000 0.833 78 D CB -0.593 40.273 40.800 0.109 0.000 0.954 78 D HN 0.419 8.789 8.370 0.000 0.000 0.455 79 T N 1.047 115.643 114.554 0.070 0.000 2.665 79 T HA -0.184 4.162 4.350 -0.007 0.000 0.268 79 T C 2.169 176.907 174.700 0.064 0.000 1.035 79 T CA 1.211 63.388 62.100 0.129 0.000 1.151 79 T CB -0.220 68.709 68.868 0.101 0.000 0.862 79 T HN 0.165 8.405 8.240 0.000 0.000 0.438 80 M N 0.474 120.050 119.600 -0.040 0.000 2.080 80 M HA -0.156 4.320 4.480 -0.007 0.000 0.260 80 M C 2.605 178.825 176.300 -0.134 0.000 1.068 80 M CA 1.529 56.767 55.300 -0.103 0.000 1.109 80 M CB -0.343 32.161 32.600 -0.159 0.000 1.342 80 M HN 0.066 8.356 8.290 0.000 0.000 0.405 81 Q N -0.606 119.073 119.800 -0.201 0.000 2.167 81 Q HA -0.076 4.259 4.340 -0.007 0.000 0.202 81 Q C 1.695 177.692 176.000 -0.004 0.000 0.970 81 Q CA 1.376 57.088 55.803 -0.151 0.000 0.855 81 Q CB -0.404 28.191 28.738 -0.239 0.000 0.911 81 Q HN 0.525 8.795 8.270 0.000 0.000 0.438 82 F N 0.676 120.563 119.950 -0.104 0.000 2.416 82 F HA 0.131 4.653 4.527 -0.008 0.000 0.296 82 F C 0.723 176.494 175.800 -0.048 0.000 1.099 82 F CA -0.195 57.770 58.000 -0.059 0.000 1.427 82 F CB 0.125 39.102 39.000 -0.038 0.000 1.079 82 F HN -0.023 8.277 8.300 0.000 0.000 0.536 83 I N -0.884 119.484 120.570 -0.336 0.000 2.575 83 I HA 0.146 4.312 4.170 -0.007 0.000 0.285 83 I C 1.301 177.224 176.117 -0.323 0.000 1.085 83 I CA -0.638 60.408 61.300 -0.424 0.000 1.403 83 I CB 0.923 38.808 38.000 -0.192 0.000 1.409 83 I HN -0.033 8.177 8.210 0.000 0.000 0.557 84 K N 3.367 123.577 120.400 -0.317 0.000 2.044 84 K HA -0.060 4.256 4.320 -0.007 0.000 0.210 84 K C -1.350 175.157 176.600 -0.155 0.000 1.049 84 K CA 1.083 57.243 56.287 -0.213 0.000 0.927 84 K CB -1.535 30.859 32.500 -0.177 0.000 0.713 84 K HN 0.646 8.896 8.250 0.000 0.000 0.443 85 P HA 0.024 4.444 4.420 0.000 0.000 0.271 85 P C -0.817 176.406 177.300 -0.128 0.000 1.216 85 P CA 0.160 63.187 63.100 -0.123 0.000 0.776 85 P CB 0.528 32.160 31.700 -0.113 0.000 0.881 86 D N 0.998 121.321 120.400 -0.127 0.000 2.423 86 D HA 0.125 4.761 4.640 -0.007 0.000 0.238 86 D C -0.149 176.049 176.300 -0.171 0.000 1.142 86 D CA 0.272 54.192 54.000 -0.133 0.000 0.884 86 D CB 0.457 41.182 40.800 -0.125 0.000 1.199 86 D HN 0.001 8.371 8.370 0.000 0.000 0.438 87 V N 2.060 121.881 119.914 -0.156 0.000 2.326 87 V HA 0.172 4.288 4.120 -0.007 0.000 0.281 87 V C 0.279 176.274 176.094 -0.167 0.000 1.015 87 V CA -0.652 61.546 62.300 -0.169 0.000 0.823 87 V CB 1.348 33.098 31.823 -0.121 0.000 1.009 87 V HN 0.461 8.651 8.190 0.000 0.000 0.436 88 S N 4.273 119.827 115.700 -0.242 0.000 2.513 88 S HA 0.506 4.971 4.470 -0.007 0.000 0.276 88 S C 0.332 174.886 174.600 -0.076 0.000 1.254 88 S CA -0.350 57.769 58.200 -0.135 0.000 1.053 88 S CB 0.618 63.717 63.200 -0.168 0.000 0.958 88 S HN 0.934 9.244 8.310 0.000 0.000 0.491 89 T N 3.261 117.805 114.554 -0.018 0.000 2.794 89 T HA 0.703 5.049 4.350 -0.007 0.000 0.280 89 T C -0.389 174.311 174.700 -0.000 0.000 0.987 89 T CA -0.736 61.340 62.100 -0.041 0.000 0.993 89 T CB 0.536 69.379 68.868 -0.041 0.000 0.939 89 T HN 0.491 8.731 8.240 0.000 0.000 0.449 90 I N 2.395 122.881 120.570 -0.141 0.000 2.466 90 I HA 0.407 4.573 4.170 -0.007 0.000 0.289 90 I C -0.021 176.064 176.117 -0.053 0.000 1.026 90 I CA -0.930 60.280 61.300 -0.150 0.000 1.078 90 I CB 1.839 39.498 38.000 -0.569 0.000 1.249 90 I HN 0.820 9.030 8.210 0.000 0.000 0.429 91 C N 8.933 128.267 119.300 0.057 0.000 2.330 91 C HA 0.827 5.282 4.460 -0.007 0.000 0.344 91 C C 0.050 175.126 174.990 0.144 0.000 1.273 91 C CA -0.529 58.550 59.018 0.101 0.000 1.879 91 C CB -0.143 27.645 27.740 0.081 0.000 2.376 91 C HN 0.846 9.076 8.230 0.000 0.000 0.534 92 M N 6.120 125.825 119.600 0.176 0.000 2.393 92 M HA 0.679 5.155 4.480 -0.007 0.000 0.299 92 M C 0.533 176.909 176.300 0.127 0.000 1.103 92 M CA 0.366 55.767 55.300 0.167 0.000 0.910 92 M CB 1.674 34.411 32.600 0.227 0.000 1.659 92 M HN 1.145 9.435 8.290 0.000 0.000 0.445 93 G N 2.331 111.188 108.800 0.095 0.000 4.026 93 G HA2 -0.284 3.672 3.960 -0.007 0.000 0.309 93 G HA3 -0.284 3.672 3.960 -0.007 0.000 0.309 93 G C -0.281 174.665 174.900 0.077 0.000 1.411 93 G CA 0.819 45.965 45.100 0.077 0.000 1.037 93 G HN 1.285 9.575 8.290 0.000 0.000 0.687 94 Q N -0.467 119.382 119.800 0.082 0.000 2.511 94 Q HA 0.717 5.052 4.340 -0.007 0.000 0.289 94 Q C -1.149 174.894 176.000 0.071 0.000 1.021 94 Q CA -0.405 55.445 55.803 0.079 0.000 0.785 94 Q CB 2.019 30.805 28.738 0.080 0.000 1.472 94 Q HN 2.113 10.383 8.270 0.000 0.000 0.411 95 A N 0.754 123.607 122.820 0.055 0.000 2.684 95 A HA 0.770 5.085 4.320 -0.007 0.000 0.289 95 A C -1.293 176.292 177.584 0.003 0.000 1.139 95 A CA 0.058 52.118 52.037 0.038 0.000 0.793 95 A CB 0.955 19.979 19.000 0.041 0.000 1.334 95 A HN 0.911 9.061 8.150 0.000 0.000 0.408 96 A N 1.513 124.321 122.820 -0.021 0.000 2.356 96 A HA 0.919 5.234 4.320 -0.007 0.000 0.323 96 A C 0.874 178.385 177.584 -0.122 0.000 1.119 96 A CA 0.339 52.313 52.037 -0.104 0.000 0.790 96 A CB 0.572 19.503 19.000 -0.115 0.000 1.273 96 A HN 2.029 10.179 8.150 0.000 0.000 0.452 97 S N -0.453 115.107 115.700 -0.233 0.000 3.917 97 S HA -0.343 4.122 4.470 -0.007 0.000 0.601 97 S C 1.538 176.133 174.600 -0.007 0.000 2.206 97 S CA 1.996 60.089 58.200 -0.178 0.000 4.167 97 S CB -1.151 61.932 63.200 -0.195 0.000 0.372 97 S HN 1.761 10.071 8.310 0.000 0.000 0.766 98 M N 2.653 122.263 119.600 0.016 0.000 2.260 98 M HA -0.035 4.441 4.480 -0.007 0.000 0.261 98 M C 1.790 178.162 176.300 0.120 0.000 1.066 98 M CA 2.501 57.841 55.300 0.066 0.000 1.082 98 M CB -1.324 31.292 32.600 0.026 0.000 1.388 98 M HN 0.596 8.886 8.290 0.000 0.000 0.419 99 G N -0.962 107.875 108.800 0.063 0.000 2.414 99 G HA2 -0.064 3.892 3.960 -0.007 0.000 0.215 99 G HA3 -0.064 3.892 3.960 -0.007 0.000 0.215 99 G C 1.561 176.500 174.900 0.065 0.000 1.188 99 G CA 0.993 46.130 45.100 0.062 0.000 0.783 99 G HN 0.667 8.957 8.290 0.000 0.000 0.537 100 A N 0.418 123.264 122.820 0.044 0.000 1.877 100 A HA 0.021 4.336 4.320 -0.007 0.000 0.216 100 A C 2.207 179.829 177.584 0.064 0.000 1.186 100 A CA 1.658 53.715 52.037 0.034 0.000 0.620 100 A CB -0.650 18.347 19.000 -0.004 0.000 0.822 100 A HN 0.413 8.563 8.150 0.000 0.000 0.443 101 F N 0.437 120.365 119.950 -0.037 0.000 2.126 101 F HA -0.148 4.375 4.527 -0.008 0.000 0.299 101 F C 1.860 177.639 175.800 -0.034 0.000 1.096 101 F CA 1.731 59.703 58.000 -0.047 0.000 1.255 101 F CB -0.135 38.824 39.000 -0.067 0.000 0.997 101 F HN 0.138 8.438 8.300 0.000 0.000 0.479 102 L N -0.521 120.778 121.223 0.127 0.000 2.291 102 L HA -0.150 4.186 4.340 -0.007 0.000 0.214 102 L C 2.246 179.085 176.870 -0.052 0.000 1.120 102 L CA 0.362 55.241 54.840 0.066 0.000 0.799 102 L CB -0.554 41.591 42.059 0.143 0.000 0.925 102 L HN 0.294 8.524 8.230 0.000 0.000 0.446 103 L N -0.502 120.693 121.223 -0.046 0.000 2.005 103 L HA -0.183 4.152 4.340 -0.007 0.000 0.207 103 L C 2.508 179.315 176.870 -0.106 0.000 1.072 103 L CA 2.248 57.058 54.840 -0.051 0.000 0.744 103 L CB -0.851 41.200 42.059 -0.013 0.000 0.895 103 L HN 0.085 8.315 8.230 0.000 0.000 0.433 104 T N -0.997 113.466 114.554 -0.152 0.000 3.007 104 T HA -0.050 4.296 4.350 -0.007 0.000 0.270 104 T C 1.634 176.142 174.700 -0.320 0.000 1.107 104 T CA 0.956 62.952 62.100 -0.172 0.000 1.118 104 T CB -0.331 68.453 68.868 -0.139 0.000 0.889 104 T HN 0.506 8.746 8.240 0.000 0.000 0.506 105 A N 0.344 122.894 122.820 -0.451 0.000 2.206 105 A HA 0.464 4.780 4.320 -0.007 0.000 0.211 105 A C 1.446 178.873 177.584 -0.262 0.000 1.158 105 A CA 0.495 52.186 52.037 -0.576 0.000 0.761 105 A CB -0.851 17.956 19.000 -0.322 0.000 0.801 105 A HN 0.587 8.737 8.150 0.000 0.000 0.473 106 G N -0.962 107.744 108.800 -0.157 0.000 2.716 106 G HA2 0.433 4.389 3.960 -0.007 0.000 0.251 106 G HA3 0.433 4.389 3.960 -0.007 0.000 0.251 106 G C 0.427 175.293 174.900 -0.057 0.000 1.224 106 G CA 0.018 45.059 45.100 -0.099 0.000 0.891 106 G HN 0.853 9.143 8.290 0.000 0.000 0.561 107 A N 0.105 122.885 122.820 -0.066 0.000 2.520 107 A HA 0.395 4.711 4.320 -0.007 0.000 0.245 107 A C 0.756 178.309 177.584 -0.050 0.000 1.072 107 A CA -0.052 51.953 52.037 -0.053 0.000 0.761 107 A CB 0.096 19.051 19.000 -0.074 0.000 1.004 107 A HN 0.588 8.738 8.150 0.000 0.000 0.499 108 K N 1.736 122.115 120.400 -0.034 0.000 2.511 108 K HA 0.296 4.611 4.320 -0.007 0.000 0.280 108 K C 1.352 177.907 176.600 -0.076 0.000 1.008 108 K CA 1.805 58.063 56.287 -0.049 0.000 1.050 108 K CB -0.162 32.312 32.500 -0.044 0.000 0.889 108 K HN 1.664 9.914 8.250 0.000 0.000 0.484 109 G N 3.486 112.216 108.800 -0.117 0.000 2.199 109 G HA2 -0.310 3.646 3.960 -0.007 0.000 0.254 109 G HA3 -0.310 3.646 3.960 -0.007 0.000 0.254 109 G C 0.355 175.137 174.900 -0.195 0.000 0.982 109 G CA 0.575 45.592 45.100 -0.139 0.000 0.632 109 G HN 0.594 8.884 8.290 0.000 0.000 0.529 110 K N -0.120 120.172 120.400 -0.180 0.000 2.592 110 K HA 0.272 4.588 4.320 -0.007 0.000 0.203 110 K C 0.460 176.984 176.600 -0.127 0.000 1.070 110 K CA -0.376 55.872 56.287 -0.064 0.000 1.062 110 K CB 0.785 33.320 32.500 0.060 0.000 0.814 110 K HN 0.226 8.476 8.250 0.000 0.000 0.502 111 R N 1.002 121.269 120.500 -0.388 0.000 2.239 111 R HA 0.338 4.673 4.340 -0.007 0.000 0.332 111 R C -0.950 175.122 176.300 -0.379 0.000 0.988 111 R CA -0.394 55.570 56.100 -0.227 0.000 0.859 111 R CB 0.441 30.650 30.300 -0.152 0.000 1.148 111 R HN -0.091 8.179 8.270 0.000 0.000 0.482 112 F N 0.817 120.742 119.950 -0.042 0.000 2.523 112 F HA 0.501 5.024 4.527 -0.007 0.000 0.329 112 F C 0.287 176.073 175.800 -0.022 0.000 1.061 112 F CA -1.136 56.849 58.000 -0.025 0.000 0.967 112 F CB 1.429 40.414 39.000 -0.026 0.000 1.218 112 F HN 0.305 8.605 8.300 0.000 0.000 0.480 113 C N 3.396 122.816 119.300 0.199 0.000 2.482 113 C HA 0.661 5.117 4.460 -0.007 0.000 0.317 113 C C -0.026 175.044 174.990 0.134 0.000 1.197 113 C CA -0.904 58.190 59.018 0.126 0.000 1.432 113 C CB 0.113 27.904 27.740 0.085 0.000 2.062 113 C HN 0.711 8.941 8.230 0.000 0.000 0.471 114 L N 5.979 127.271 121.223 0.114 0.000 2.476 114 L HA 0.241 4.576 4.340 -0.007 0.000 0.255 114 L C -1.213 175.705 176.870 0.079 0.000 1.218 114 L CA -1.061 53.836 54.840 0.095 0.000 0.819 114 L CB 0.592 42.706 42.059 0.091 0.000 1.119 114 L HN 0.492 8.722 8.230 0.000 0.000 0.485 115 P HA -0.151 4.269 4.420 0.000 0.000 0.214 115 P C 0.144 177.475 177.300 0.052 0.000 1.163 115 P CA 1.581 64.716 63.100 0.059 0.000 0.889 115 P CB 0.108 31.838 31.700 0.050 0.000 0.790 116 N N -1.588 117.140 118.700 0.046 0.000 2.279 116 N HA 0.063 4.798 4.740 -0.007 0.000 0.226 116 N C -0.213 175.326 175.510 0.048 0.000 1.126 116 N CA -0.148 52.926 53.050 0.041 0.000 0.846 116 N CB -0.190 38.315 38.487 0.031 0.000 1.050 116 N HN 0.148 8.528 8.380 0.000 0.000 0.502 117 S N 0.962 116.698 115.700 0.060 0.000 2.593 117 S HA 0.346 4.811 4.470 -0.007 0.000 0.269 117 S C 0.269 174.910 174.600 0.068 0.000 1.334 117 S CA -0.854 57.388 58.200 0.069 0.000 1.015 117 S CB 1.123 64.373 63.200 0.082 0.000 0.912 117 S HN 0.449 8.759 8.310 0.000 0.000 0.541 118 R N -0.149 120.398 120.500 0.079 0.000 2.628 118 R HA 0.747 5.083 4.340 -0.007 0.000 0.288 118 R C -1.791 174.576 176.300 0.111 0.000 0.980 118 R CA -0.959 55.201 56.100 0.101 0.000 0.891 118 R CB 1.370 31.738 30.300 0.114 0.000 1.188 118 R HN 0.455 8.725 8.270 0.000 0.000 0.450 119 V N 3.842 123.818 119.914 0.102 0.000 2.732 119 V HA 0.585 4.701 4.120 -0.007 0.000 0.310 119 V C -0.074 176.019 176.094 -0.002 0.000 1.053 119 V CA -0.924 61.401 62.300 0.041 0.000 0.957 119 V CB 1.770 33.597 31.823 0.007 0.000 1.018 119 V HN 0.833 9.023 8.190 0.000 0.000 0.452 120 M N 5.291 124.814 119.600 -0.129 0.000 2.322 120 M HA 0.638 5.114 4.480 -0.007 0.000 0.286 120 M C -1.797 174.319 176.300 -0.306 0.000 1.111 120 M CA -0.468 54.615 55.300 -0.362 0.000 0.941 120 M CB 2.025 34.285 32.600 -0.566 0.000 1.671 120 M HN 0.801 9.091 8.290 0.000 0.000 0.470 121 I N 1.066 121.456 120.570 -0.300 0.000 2.785 121 I HA 0.775 4.941 4.170 -0.007 0.000 0.302 121 I C -0.889 175.168 176.117 -0.100 0.000 1.069 121 I CA -0.435 60.759 61.300 -0.177 0.000 1.045 121 I CB 2.367 40.301 38.000 -0.110 0.000 1.236 121 I HN 0.991 9.201 8.210 0.000 0.000 0.429 122 H N 2.241 121.251 119.070 -0.101 0.000 3.255 122 H HA 0.399 4.951 4.556 -0.007 0.000 0.273 122 H C -1.754 173.537 175.328 -0.062 0.000 1.573 122 H CA -1.076 54.918 56.048 -0.089 0.000 1.198 122 H CB 0.938 30.634 29.762 -0.109 0.000 1.880 122 H HN 0.781 9.061 8.280 0.000 0.000 0.747 123 Q N 0.844 120.513 119.800 -0.218 0.000 2.248 123 Q HA 0.566 4.902 4.340 -0.007 0.000 0.263 123 Q C -2.888 172.887 176.000 -0.376 0.000 1.007 123 Q CA -2.109 53.553 55.803 -0.235 0.000 0.877 123 Q CB 2.280 30.913 28.738 -0.174 0.000 1.315 123 Q HN 0.312 8.582 8.270 0.000 0.000 0.454 124 P HA 0.010 4.430 4.420 0.000 0.000 0.265 124 P C -1.104 176.092 177.300 -0.173 0.000 1.187 124 P CA 0.309 63.321 63.100 -0.147 0.000 0.766 124 P CB 0.379 32.015 31.700 -0.107 0.000 0.820 125 L N 2.130 123.279 121.223 -0.123 0.000 2.334 125 L HA 0.846 5.181 4.340 -0.007 0.000 0.276 125 L C 0.859 177.704 176.870 -0.041 0.000 1.014 125 L CA -0.086 54.699 54.840 -0.092 0.000 0.815 125 L CB 2.065 44.086 42.059 -0.064 0.000 1.268 125 L HN 0.550 8.780 8.230 0.000 0.000 0.428 126 G N 0.410 109.195 108.800 -0.025 0.000 2.606 126 G HA2 0.733 4.689 3.960 -0.007 0.000 0.300 126 G HA3 0.733 4.689 3.960 -0.007 0.000 0.300 126 G C -1.414 173.493 174.900 0.013 0.000 1.360 126 G CA -0.246 44.855 45.100 0.001 0.000 0.783 126 G HN 0.836 9.126 8.290 0.000 0.000 0.484 127 G N -1.491 107.331 108.800 0.037 0.000 2.405 127 G HA2 0.577 4.532 3.960 -0.007 0.000 0.312 127 G HA3 0.577 4.532 3.960 -0.007 0.000 0.312 127 G C -2.039 172.905 174.900 0.075 0.000 1.579 127 G CA -0.373 44.752 45.100 0.041 0.000 0.933 127 G HN 1.145 9.435 8.290 0.000 0.000 0.628 128 Y N 1.030 121.290 120.300 -0.066 0.000 2.633 128 Y HA 0.844 5.390 4.550 -0.008 0.000 0.339 128 Y C -0.448 175.397 175.900 -0.091 0.000 1.045 128 Y CA -0.954 57.072 58.100 -0.124 0.000 1.098 128 Y CB 2.448 40.803 38.460 -0.176 0.000 1.296 128 Y HN 0.601 8.881 8.280 0.000 0.000 0.494 129 Q N 1.750 120.833 119.800 -1.195 0.000 2.284 129 Q HA 0.594 4.929 4.340 -0.007 0.000 0.269 129 Q C -1.080 174.361 176.000 -0.933 0.000 1.026 129 Q CA -0.194 55.169 55.803 -0.734 0.000 0.831 129 Q CB 2.299 30.773 28.738 -0.440 0.000 1.322 129 Q HN 1.148 9.418 8.270 0.000 0.000 0.419 130 G N 1.701 110.307 108.800 -0.324 0.000 2.339 130 G HA2 -0.062 3.893 3.960 -0.007 0.000 0.275 130 G HA3 -0.062 3.893 3.960 -0.007 0.000 0.275 130 G C -1.424 173.523 174.900 0.077 0.000 1.323 130 G CA -0.991 44.053 45.100 -0.094 0.000 0.927 130 G HN 0.504 8.794 8.290 0.000 0.000 0.486 131 Q N -0.105 119.766 119.800 0.117 0.000 2.428 131 Q HA 0.376 4.711 4.340 -0.007 0.000 0.276 131 Q C 1.806 177.880 176.000 0.124 0.000 1.059 131 Q CA 0.377 56.239 55.803 0.099 0.000 0.923 131 Q CB 1.136 29.924 28.738 0.084 0.000 1.283 131 Q HN 1.045 9.315 8.270 0.000 0.000 0.447 132 A N 2.525 125.392 122.820 0.079 0.000 1.917 132 A HA -0.223 4.092 4.320 -0.007 0.000 0.219 132 A C 2.043 179.667 177.584 0.068 0.000 1.182 132 A CA 2.346 54.425 52.037 0.071 0.000 0.633 132 A CB -0.778 18.248 19.000 0.042 0.000 0.819 132 A HN 0.865 9.015 8.150 0.000 0.000 0.448 133 T N 0.383 114.970 114.554 0.055 0.000 2.652 133 T HA -0.153 4.192 4.350 -0.007 0.000 0.267 133 T C 1.526 176.245 174.700 0.032 0.000 1.039 133 T CA 1.598 63.718 62.100 0.033 0.000 1.153 133 T CB -0.496 68.387 68.868 0.025 0.000 0.863 133 T HN 0.520 8.760 8.240 0.000 0.000 0.428 134 D N 0.966 121.414 120.400 0.080 0.000 2.117 134 D HA -0.014 4.621 4.640 -0.007 0.000 0.197 134 D C 2.086 178.410 176.300 0.039 0.000 0.987 134 D CA 0.731 54.779 54.000 0.080 0.000 0.829 134 D CB -0.476 40.466 40.800 0.236 0.000 0.961 134 D HN 0.341 8.711 8.370 0.000 0.000 0.460 135 I N 1.045 121.715 120.570 0.167 0.000 2.335 135 I HA -0.247 3.918 4.170 -0.007 0.000 0.251 135 I C 2.445 178.591 176.117 0.048 0.000 1.129 135 I CA 1.080 62.483 61.300 0.172 0.000 1.402 135 I CB -0.070 38.058 38.000 0.214 0.000 1.069 135 I HN 0.040 8.250 8.210 0.000 0.000 0.424 136 E N 1.304 121.512 120.200 0.015 0.000 2.046 136 E HA -0.203 4.143 4.350 -0.007 0.000 0.190 136 E C 2.369 178.922 176.600 -0.078 0.000 0.982 136 E CA 1.159 57.547 56.400 -0.020 0.000 0.800 136 E CB -0.004 29.685 29.700 -0.018 0.000 0.756 136 E HN 0.437 8.797 8.360 0.000 0.000 0.449 137 I N 1.123 121.611 120.570 -0.136 0.000 2.151 137 I HA -0.341 3.825 4.170 -0.007 0.000 0.243 137 I C 2.525 178.420 176.117 -0.371 0.000 1.080 137 I CA 1.358 62.505 61.300 -0.255 0.000 1.339 137 I CB -0.483 37.314 38.000 -0.338 0.000 1.039 137 I HN 0.275 8.486 8.210 0.000 0.000 0.409 138 H N 0.403 119.313 119.070 -0.265 0.000 2.326 138 H HA -0.038 4.514 4.556 -0.008 0.000 0.301 138 H C 2.378 177.621 175.328 -0.141 0.000 1.081 138 H CA 1.585 57.476 56.048 -0.262 0.000 1.334 138 H CB -0.260 29.213 29.762 -0.482 0.000 1.385 138 H HN 0.373 8.653 8.280 0.000 0.000 0.504 139 A N 1.246 124.060 122.820 -0.010 0.000 2.019 139 A HA -0.188 4.127 4.320 -0.007 0.000 0.219 139 A C 2.464 180.026 177.584 -0.036 0.000 1.164 139 A CA 1.563 53.596 52.037 -0.006 0.000 0.644 139 A CB -0.489 18.516 19.000 0.008 0.000 0.805 139 A HN 0.323 8.473 8.150 0.000 0.000 0.449 140 R N -0.659 119.804 120.500 -0.063 0.000 2.119 140 R HA -0.109 4.227 4.340 -0.007 0.000 0.222 140 R C 2.007 178.264 176.300 -0.071 0.000 1.088 140 R CA 1.463 57.525 56.100 -0.063 0.000 0.984 140 R CB -0.159 30.098 30.300 -0.072 0.000 0.884 140 R HN 0.412 8.682 8.270 0.000 0.000 0.447 141 E N 1.039 121.182 120.200 -0.095 0.000 2.047 141 E HA -0.187 4.158 4.350 -0.007 0.000 0.191 141 E C 1.697 178.260 176.600 -0.061 0.000 0.987 141 E CA 1.320 57.666 56.400 -0.090 0.000 0.799 141 E CB -0.267 29.356 29.700 -0.128 0.000 0.752 141 E HN 0.432 8.792 8.360 0.000 0.000 0.449 142 I N -0.347 120.196 120.570 -0.044 0.000 2.614 142 I HA -0.149 4.017 4.170 -0.007 0.000 0.258 142 I C 1.676 177.765 176.117 -0.047 0.000 1.189 142 I CA 1.060 62.337 61.300 -0.037 0.000 1.462 142 I CB 0.073 38.062 38.000 -0.017 0.000 1.092 142 I HN 0.131 8.341 8.210 0.000 0.000 0.442 143 L N -0.098 121.098 121.223 -0.044 0.000 2.162 143 L HA -0.013 4.322 4.340 -0.007 0.000 0.205 143 L C 2.448 179.292 176.870 -0.044 0.000 1.086 143 L CA 0.765 55.580 54.840 -0.042 0.000 0.778 143 L CB -0.637 41.401 42.059 -0.035 0.000 0.928 143 L HN 0.069 8.299 8.230 0.000 0.000 0.446 144 K N 0.041 120.413 120.400 -0.047 0.000 2.026 144 K HA -0.124 4.192 4.320 -0.007 0.000 0.208 144 K C 2.078 178.648 176.600 -0.050 0.000 1.048 144 K CA 1.204 57.464 56.287 -0.045 0.000 0.929 144 K CB -0.350 32.121 32.500 -0.047 0.000 0.713 144 K HN 0.050 8.300 8.250 0.000 0.000 0.439 145 V N 2.162 122.040 119.914 -0.061 0.000 2.392 145 V HA -0.288 3.827 4.120 -0.007 0.000 0.249 145 V C 2.427 178.466 176.094 -0.090 0.000 1.059 145 V CA 1.805 64.058 62.300 -0.080 0.000 1.051 145 V CB -0.435 31.338 31.823 -0.083 0.000 0.658 145 V HN 0.360 8.550 8.190 0.000 0.000 0.455 146 K N 0.258 120.613 120.400 -0.075 0.000 2.002 146 K HA -0.152 4.163 4.320 -0.007 0.000 0.209 146 K C 2.192 178.762 176.600 -0.051 0.000 1.048 146 K CA 1.813 58.058 56.287 -0.070 0.000 0.930 146 K CB -0.706 31.760 32.500 -0.058 0.000 0.714 146 K HN 0.453 8.703 8.250 0.000 0.000 0.438 147 G N 1.051 109.828 108.800 -0.038 0.000 2.440 147 G HA2 -0.309 3.646 3.960 -0.007 0.000 0.218 147 G HA3 -0.309 3.646 3.960 -0.007 0.000 0.218 147 G C 1.621 176.512 174.900 -0.016 0.000 1.154 147 G CA 1.079 46.166 45.100 -0.021 0.000 0.767 147 G HN 0.302 8.592 8.290 0.000 0.000 0.552 148 R N -0.209 120.273 120.500 -0.030 0.000 2.092 148 R HA 0.079 4.415 4.340 -0.007 0.000 0.231 148 R C 2.464 178.749 176.300 -0.025 0.000 1.119 148 R CA 1.173 57.260 56.100 -0.022 0.000 0.970 148 R CB -0.435 29.843 30.300 -0.036 0.000 0.864 148 R HN 0.247 8.517 8.270 0.000 0.000 0.440 149 M N 0.726 120.279 119.600 -0.078 0.000 2.175 149 M HA -0.069 4.406 4.480 -0.007 0.000 0.264 149 M C 1.516 177.835 176.300 0.031 0.000 1.063 149 M CA 1.400 56.624 55.300 -0.127 0.000 1.119 149 M CB -1.114 31.341 32.600 -0.241 0.000 1.377 149 M HN 0.183 8.473 8.290 0.000 0.000 0.415 150 N N 0.617 119.332 118.700 0.025 0.000 2.106 150 N HA -0.142 4.594 4.740 -0.007 0.000 0.188 150 N C 1.610 177.172 175.510 0.086 0.000 1.029 150 N CA 1.209 54.298 53.050 0.065 0.000 0.848 150 N CB -0.285 38.223 38.487 0.036 0.000 1.007 150 N HN 0.503 8.883 8.380 0.000 0.000 0.423 151 E N 0.862 121.100 120.200 0.064 0.000 2.118 151 E HA -0.125 4.220 4.350 -0.007 0.000 0.195 151 E C 2.070 178.731 176.600 0.103 0.000 0.992 151 E CA 0.644 57.082 56.400 0.064 0.000 0.804 151 E CB -0.136 29.590 29.700 0.044 0.000 0.741 151 E HN 0.323 8.683 8.360 0.000 0.000 0.458 152 L N 0.161 121.479 121.223 0.159 0.000 2.093 152 L HA -0.163 4.173 4.340 -0.007 0.000 0.208 152 L C 2.557 179.594 176.870 0.279 0.000 1.085 152 L CA 0.570 55.563 54.840 0.254 0.000 0.755 152 L CB -0.269 41.999 42.059 0.349 0.000 0.904 152 L HN 0.238 8.468 8.230 0.000 0.000 0.435 153 M N -0.470 119.286 119.600 0.261 0.000 2.159 153 M HA -0.153 4.323 4.480 -0.007 0.000 0.263 153 M C 2.522 178.909 176.300 0.146 0.000 1.063 153 M CA 1.910 57.337 55.300 0.213 0.000 1.110 153 M CB -1.104 31.631 32.600 0.225 0.000 1.374 153 M HN 0.292 8.582 8.290 0.000 0.000 0.411 154 A N 0.077 122.962 122.820 0.108 0.000 1.855 154 A HA -0.167 4.149 4.320 -0.007 0.000 0.215 154 A C 2.267 179.862 177.584 0.018 0.000 1.191 154 A CA 1.396 53.461 52.037 0.046 0.000 0.613 154 A CB -1.094 17.925 19.000 0.032 0.000 0.829 154 A HN 0.483 8.633 8.150 0.000 0.000 0.442 155 L N -1.419 119.816 121.223 0.020 0.000 2.081 155 L HA -0.269 4.066 4.340 -0.007 0.000 0.212 155 L C 2.394 179.167 176.870 -0.162 0.000 1.080 155 L CA 2.220 57.020 54.840 -0.066 0.000 0.754 155 L CB -0.258 41.760 42.059 -0.067 0.000 0.893 155 L HN 0.593 8.823 8.230 0.000 0.000 0.433 156 H N -1.985 117.077 119.070 -0.013 0.000 2.486 156 H HA -0.022 4.529 4.556 -0.007 0.000 0.287 156 H C 2.175 177.478 175.328 -0.042 0.000 1.010 156 H CA 1.501 57.527 56.048 -0.037 0.000 1.324 156 H CB 0.120 29.839 29.762 -0.072 0.000 1.446 156 H HN 0.422 8.702 8.280 0.000 0.000 0.537 157 T N -3.557 111.042 114.554 0.075 0.000 3.054 157 T HA 0.168 4.513 4.350 -0.007 0.000 0.259 157 T C 1.886 176.550 174.700 -0.061 0.000 1.092 157 T CA 0.544 62.651 62.100 0.012 0.000 1.121 157 T CB -0.014 68.861 68.868 0.012 0.000 0.912 157 T HN 0.487 8.727 8.240 0.000 0.000 0.489 158 G N 1.045 109.810 108.800 -0.057 0.000 2.136 158 G HA2 -0.223 3.732 3.960 -0.007 0.000 0.242 158 G HA3 -0.223 3.732 3.960 -0.007 0.000 0.242 158 G C 0.082 174.919 174.900 -0.104 0.000 0.989 158 G CA 0.081 45.136 45.100 -0.077 0.000 0.682 158 G HN 0.581 8.871 8.290 0.000 0.000 0.522 159 Q N 0.312 120.033 119.800 -0.131 0.000 2.272 159 Q HA 0.597 4.933 4.340 -0.007 0.000 0.192 159 Q C 1.071 177.022 176.000 -0.082 0.000 1.059 159 Q CA 0.439 56.142 55.803 -0.167 0.000 1.084 159 Q CB 0.854 29.442 28.738 -0.250 0.000 1.139 159 Q HN 0.822 9.092 8.270 0.000 0.000 0.593 160 S N -0.537 115.125 115.700 -0.062 0.000 2.578 160 S HA 0.191 4.657 4.470 -0.007 0.000 0.283 160 S C 0.942 175.539 174.600 -0.006 0.000 1.195 160 S CA -0.698 57.484 58.200 -0.029 0.000 1.050 160 S CB 0.897 64.082 63.200 -0.024 0.000 1.012 160 S HN 0.530 8.840 8.310 0.000 0.000 0.511 161 L N 1.851 123.076 121.223 0.003 0.000 2.043 161 L HA -0.110 4.226 4.340 -0.007 0.000 0.212 161 L C 2.351 179.234 176.870 0.022 0.000 1.075 161 L CA 1.996 56.846 54.840 0.017 0.000 0.752 161 L CB -1.140 40.928 42.059 0.013 0.000 0.891 161 L HN 0.943 9.173 8.230 0.000 0.000 0.432 162 E N -1.317 118.891 120.200 0.013 0.000 2.106 162 E HA -0.280 4.065 4.350 -0.007 0.000 0.192 162 E C 2.107 178.723 176.600 0.028 0.000 0.984 162 E CA 1.116 57.526 56.400 0.017 0.000 0.806 162 E CB -0.039 29.667 29.700 0.010 0.000 0.750 162 E HN 0.525 8.885 8.360 0.000 0.000 0.458 163 Q N 0.757 120.571 119.800 0.024 0.000 2.079 163 Q HA -0.140 4.196 4.340 -0.007 0.000 0.200 163 Q C 2.017 178.074 176.000 0.095 0.000 0.974 163 Q CA 1.156 56.984 55.803 0.042 0.000 0.840 163 Q CB -0.036 28.701 28.738 -0.003 0.000 0.898 163 Q HN 0.188 8.458 8.270 0.000 0.000 0.430 164 I N 0.642 121.269 120.570 0.096 0.000 2.226 164 I HA -0.236 3.930 4.170 -0.007 0.000 0.245 164 I C 2.042 178.218 176.117 0.098 0.000 1.100 164 I CA 1.545 62.930 61.300 0.140 0.000 1.374 164 I CB -1.035 37.036 38.000 0.119 0.000 1.057 164 I HN 0.380 8.590 8.210 0.000 0.000 0.413 165 E N 0.400 120.638 120.200 0.063 0.000 2.058 165 E HA -0.242 4.103 4.350 -0.007 0.000 0.194 165 E C 2.348 178.972 176.600 0.040 0.000 0.997 165 E CA 1.468 57.892 56.400 0.041 0.000 0.801 165 E CB -0.022 29.694 29.700 0.026 0.000 0.746 165 E HN 0.336 8.696 8.360 0.000 0.000 0.450 166 R N 0.550 121.078 120.500 0.047 0.000 2.066 166 R HA -0.093 4.243 4.340 -0.007 0.000 0.232 166 R C 1.730 178.061 176.300 0.051 0.000 1.131 166 R CA 1.472 57.598 56.100 0.044 0.000 0.955 166 R CB -0.051 30.276 30.300 0.045 0.000 0.851 166 R HN 0.108 8.378 8.270 0.000 0.000 0.432 167 D N -0.861 119.587 120.400 0.079 0.000 2.350 167 D HA -0.085 4.551 4.640 -0.007 0.000 0.216 167 D C 1.386 177.703 176.300 0.028 0.000 0.968 167 D CA 1.548 55.591 54.000 0.071 0.000 0.894 167 D CB 0.112 41.002 40.800 0.151 0.000 0.909 167 D HN 0.434 8.804 8.370 0.000 0.000 0.520 168 T N -3.284 111.293 114.554 0.037 0.000 2.971 168 T HA 0.073 4.418 4.350 -0.007 0.000 0.252 168 T C 1.559 176.267 174.700 0.013 0.000 1.022 168 T CA -0.270 61.846 62.100 0.027 0.000 0.980 168 T CB 0.464 69.358 68.868 0.044 0.000 1.044 168 T HN -0.177 8.063 8.240 0.000 0.000 0.501 169 E N 1.728 121.931 120.200 0.006 0.000 2.164 169 E HA -0.140 4.206 4.350 -0.007 0.000 0.206 169 E C 0.767 177.357 176.600 -0.016 0.000 1.032 169 E CA 1.345 57.739 56.400 -0.010 0.000 0.832 169 E CB 0.035 29.734 29.700 -0.001 0.000 0.742 169 E HN 0.613 8.973 8.360 0.000 0.000 0.460 170 R N 0.202 120.703 120.500 0.001 0.000 2.867 170 R HA 0.202 4.538 4.340 -0.007 0.000 0.268 170 R C -0.794 175.513 176.300 0.011 0.000 1.014 170 R CA -0.889 55.216 56.100 0.008 0.000 0.946 170 R CB 1.122 31.431 30.300 0.014 0.000 1.208 170 R HN -0.103 8.168 8.270 0.000 0.000 0.477 171 D N 1.850 122.259 120.400 0.014 0.000 2.531 171 D HA -0.032 4.604 4.640 -0.007 0.000 0.239 171 D C -0.174 176.040 176.300 -0.144 0.000 1.144 171 D CA 0.903 54.850 54.000 -0.090 0.000 0.869 171 D CB 0.558 41.285 40.800 -0.122 0.000 1.160 171 D HN 0.181 8.551 8.370 0.000 0.000 0.484 172 R N 2.677 123.032 120.500 -0.243 0.000 2.451 172 R HA 0.326 4.661 4.340 -0.007 0.000 0.307 172 R C -1.135 175.005 176.300 -0.268 0.000 0.965 172 R CA -0.598 55.403 56.100 -0.165 0.000 0.865 172 R CB 0.502 30.729 30.300 -0.122 0.000 1.174 172 R HN 0.124 8.394 8.270 0.000 0.000 0.455 173 F N 4.680 124.597 119.950 -0.055 0.000 2.385 173 F HA 0.436 4.959 4.527 -0.008 0.000 0.336 173 F C -0.389 175.370 175.800 -0.069 0.000 1.100 173 F CA -0.654 57.311 58.000 -0.058 0.000 1.116 173 F CB 1.184 40.163 39.000 -0.034 0.000 1.166 173 F HN 0.232 8.532 8.300 0.000 0.000 0.511 174 L N 2.309 123.598 121.223 0.111 0.000 2.446 174 L HA 0.369 4.704 4.340 -0.007 0.000 0.268 174 L C 0.073 176.984 176.870 0.069 0.000 0.975 174 L CA -0.645 54.220 54.840 0.041 0.000 0.848 174 L CB 1.367 43.392 42.059 -0.058 0.000 1.225 174 L HN 0.637 8.867 8.230 0.000 0.000 0.410 175 S N 1.480 117.220 115.700 0.067 0.000 2.592 175 S HA 0.388 4.854 4.470 -0.007 0.000 0.256 175 S C 1.564 176.197 174.600 0.055 0.000 1.369 175 S CA 0.088 58.324 58.200 0.059 0.000 0.984 175 S CB 0.739 63.965 63.200 0.044 0.000 0.919 175 S HN 0.754 9.064 8.310 0.000 0.000 0.576 176 A N 2.052 124.905 122.820 0.056 0.000 1.859 176 A HA -0.041 4.274 4.320 -0.007 0.000 0.217 176 A C 0.296 177.914 177.584 0.056 0.000 1.198 176 A CA 1.796 53.868 52.037 0.058 0.000 0.629 176 A CB -2.309 16.729 19.000 0.064 0.000 0.830 176 A HN 0.843 8.993 8.150 0.000 0.000 0.446 177 P HA -0.184 4.236 4.420 0.000 0.000 0.216 177 P C 0.904 178.238 177.300 0.056 0.000 1.150 177 P CA 1.634 64.765 63.100 0.052 0.000 0.837 177 P CB -0.282 31.446 31.700 0.048 0.000 0.786 178 E N 0.120 120.355 120.200 0.058 0.000 2.204 178 E HA -0.081 4.265 4.350 -0.007 0.000 0.195 178 E C 2.156 178.811 176.600 0.091 0.000 0.990 178 E CA 1.037 57.479 56.400 0.071 0.000 0.821 178 E CB -0.446 29.289 29.700 0.057 0.000 0.750 178 E HN 0.245 8.605 8.360 0.000 0.000 0.477 179 A N 0.859 123.722 122.820 0.071 0.000 2.067 179 A HA -0.029 4.286 4.320 -0.007 0.000 0.217 179 A C 2.365 180.006 177.584 0.094 0.000 1.156 179 A CA 0.474 52.560 52.037 0.081 0.000 0.683 179 A CB -0.103 18.926 19.000 0.048 0.000 0.808 179 A HN 0.089 8.239 8.150 0.000 0.000 0.455 180 V N 0.988 120.942 119.914 0.067 0.000 2.379 180 V HA -0.226 3.890 4.120 -0.007 0.000 0.245 180 V C 2.473 178.596 176.094 0.048 0.000 1.044 180 V CA 2.114 64.438 62.300 0.040 0.000 1.036 180 V CB -0.677 31.164 31.823 0.029 0.000 0.664 180 V HN 0.911 9.101 8.190 0.000 0.000 0.453 181 E N -1.058 119.185 120.200 0.072 0.000 2.371 181 E HA -0.203 4.143 4.350 -0.007 0.000 0.194 181 E C 2.012 178.660 176.600 0.081 0.000 1.012 181 E CA 0.765 57.202 56.400 0.062 0.000 0.860 181 E CB -0.331 29.405 29.700 0.060 0.000 0.811 181 E HN 0.652 9.012 8.360 0.000 0.000 0.502 182 Y N 1.274 121.576 120.300 0.004 0.000 2.544 182 Y HA 0.186 4.731 4.550 -0.008 0.000 0.286 182 Y C 1.486 177.386 175.900 0.000 0.000 1.141 182 Y CA 1.115 59.219 58.100 0.006 0.000 1.299 182 Y CB 0.484 38.951 38.460 0.012 0.000 1.030 182 Y HN 0.227 8.507 8.280 0.000 0.000 0.543 183 G N 0.065 108.916 108.800 0.086 0.000 2.141 183 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.242 183 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.242 183 G C 0.901 175.843 174.900 0.070 0.000 0.982 183 G CA 0.489 45.603 45.100 0.024 0.000 0.662 183 G HN 0.445 8.735 8.290 0.000 0.000 0.527 184 L N -0.413 120.897 121.223 0.144 0.000 2.109 184 L HA 0.236 4.571 4.340 -0.007 0.000 0.207 184 L C 1.682 178.565 176.870 0.022 0.000 1.086 184 L CA 1.773 56.674 54.840 0.102 0.000 0.760 184 L CB -0.104 42.016 42.059 0.101 0.000 0.910 184 L HN 0.563 8.793 8.230 0.000 0.000 0.437 185 V N -5.545 114.374 119.914 0.008 0.000 2.914 185 V HA 0.346 4.462 4.120 -0.007 0.000 0.314 185 V C 0.003 176.042 176.094 -0.092 0.000 1.084 185 V CA -0.881 61.387 62.300 -0.055 0.000 0.963 185 V CB 1.794 33.593 31.823 -0.039 0.000 1.025 185 V HN 0.007 8.197 8.190 0.000 0.000 0.432 186 D N 1.291 121.575 120.400 -0.193 0.000 2.317 186 D HA 0.147 4.783 4.640 -0.007 0.000 0.211 186 D C 0.806 176.985 176.300 -0.202 0.000 0.966 186 D CA 1.419 55.295 54.000 -0.207 0.000 0.876 186 D CB 0.970 41.598 40.800 -0.288 0.000 0.927 186 D HN 0.690 9.060 8.370 0.000 0.000 0.519 187 S N -0.743 114.819 115.700 -0.229 0.000 2.611 187 S HA 0.272 4.738 4.470 -0.007 0.000 0.270 187 S C -1.873 172.754 174.600 0.045 0.000 1.131 187 S CA -0.826 57.316 58.200 -0.097 0.000 0.826 187 S CB 0.805 63.934 63.200 -0.120 0.000 1.095 187 S HN -0.162 8.148 8.310 0.000 0.000 0.461 188 I N 2.635 123.275 120.570 0.118 0.000 2.472 188 I HA 0.396 4.562 4.170 -0.007 0.000 0.290 188 I C -0.101 176.166 176.117 0.251 0.000 1.016 188 I CA -0.500 60.897 61.300 0.161 0.000 1.348 188 I CB 1.111 39.179 38.000 0.112 0.000 1.417 188 I HN 0.615 8.825 8.210 0.000 0.000 0.521 189 L N 5.942 127.305 121.223 0.232 0.000 2.276 189 L HA 0.295 4.631 4.340 -0.007 0.000 0.286 189 L C 0.765 177.680 176.870 0.075 0.000 1.024 189 L CA 0.007 54.933 54.840 0.144 0.000 0.826 189 L CB 1.480 43.545 42.059 0.009 0.000 1.211 189 L HN 0.709 8.939 8.230 0.000 0.000 0.422 190 T N 1.006 115.614 114.554 0.089 0.000 3.087 190 T HA 0.167 4.512 4.350 -0.007 0.000 0.237 190 T C -0.107 174.543 174.700 -0.083 0.000 0.990 190 T CA 0.455 62.603 62.100 0.079 0.000 1.160 190 T CB 0.185 69.197 68.868 0.240 0.000 0.923 190 T HN 0.471 8.711 8.240 0.000 0.000 0.442 191 H N -0.181 118.899 119.070 0.017 0.000 2.907 191 H HA 0.696 5.247 4.556 -0.007 0.000 0.361 191 H C -0.671 174.651 175.328 -0.011 0.000 1.194 191 H CA -0.986 55.066 56.048 0.006 0.000 1.152 191 H CB 1.209 30.977 29.762 0.010 0.000 1.867 191 H HN -0.077 8.203 8.280 0.000 0.000 0.561 192 R N 1.864 122.424 120.500 0.099 0.000 2.205 192 R HA 0.273 4.609 4.340 -0.007 0.000 0.342 192 R C -0.866 175.470 176.300 0.060 0.000 1.058 192 R CA -0.212 55.910 56.100 0.037 0.000 0.904 192 R CB -0.400 29.907 30.300 0.011 0.000 1.089 192 R HN 0.557 8.827 8.270 0.000 0.000 0.471 193 N N 0.000 118.727 118.700 0.045 0.000 1.763 193 N HA 0.000 4.736 4.740 -0.007 0.000 0.220 193 N CA 0.000 53.072 53.050 0.037 0.000 0.885 193 N CB 0.000 38.510 38.487 0.037 0.000 1.341 193 N HN 0.000 8.380 8.380 0.000 0.000 0.667