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 1lxl_1_A DATA FIRST_RESID -3 DATA SEQUENCE MSMAMSQSNR ELVVDFLSYK LSQKGYSWSQ FSDVEENRTE APEGTESEME DATA SEQUENCE TPSAINGNPS WHLADSPAVN GATGHSSSLD AREVIPMAAV KQALREAGDE DATA SEQUENCE FELRYRRAFS DLTSQLHITP GTAYQSFEQV VNELFRDGVN WGRIVAFFSF DATA SEQUENCE GGALCVESVD KEMQVLVSRI AAWMATYLND HLEPWIQENG GWDTFVELYG DATA SEQUENCE NNAAAESRKG QERLEHHHHH H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -3 M HA 0.000 4.489 4.480 0.015 0.000 0.227 -3 M C 0.000 176.309 176.300 0.015 0.000 1.140 -3 M CA 0.000 55.308 55.300 0.014 0.000 0.988 -3 M CB 0.000 32.607 32.600 0.012 0.000 1.302 -2 S N 2.911 118.621 115.700 0.018 0.000 3.041 -2 S HA 0.290 4.770 4.470 0.017 0.000 0.250 -2 S C -0.588 174.026 174.600 0.023 0.000 0.898 -2 S CA 0.137 58.348 58.200 0.018 0.000 1.100 -2 S CB 0.469 63.679 63.200 0.016 0.000 1.149 -2 S HN 0.236 8.558 8.310 0.020 0.000 0.540 -1 M N 0.375 119.992 119.600 0.027 0.000 2.245 -1 M HA 0.115 4.618 4.480 0.038 0.000 0.292 -1 M C -0.165 176.155 176.300 0.035 0.000 1.176 -1 M CA 0.389 55.711 55.300 0.036 0.000 1.035 -1 M CB 0.873 33.498 32.600 0.042 0.000 1.440 -1 M HN -0.727 7.578 8.290 0.025 0.000 0.494 0 A N 0.207 123.052 122.820 0.042 0.000 1.920 0 A HA -0.026 4.316 4.320 0.038 0.000 0.204 0 A C -0.806 176.806 177.584 0.047 0.000 1.850 0 A CA 0.448 52.508 52.037 0.038 0.000 1.593 0 A CB 0.031 19.048 19.000 0.028 0.000 1.470 0 A HN 0.289 8.469 8.150 0.051 0.000 0.377 1 M N -1.646 117.981 119.600 0.044 0.000 2.632 1 M HA -0.315 4.179 4.480 0.024 0.000 0.184 1 M C -0.498 175.821 176.300 0.033 0.000 0.976 1 M CA 0.032 55.358 55.300 0.044 0.000 0.612 1 M CB -0.945 31.709 32.600 0.090 0.000 1.181 1 M HN 0.150 8.463 8.290 0.038 0.000 0.840 2 S N -1.205 114.505 115.700 0.017 0.000 2.404 2 S HA -0.133 4.352 4.470 0.025 0.000 0.223 2 S C 0.485 175.086 174.600 0.002 0.000 1.040 2 S CA 1.881 60.091 58.200 0.015 0.000 0.957 2 S CB 0.285 63.493 63.200 0.013 0.000 0.826 2 S HN -0.054 8.263 8.310 0.012 0.000 0.491 3 Q N -1.089 118.701 119.800 -0.016 0.000 2.237 3 Q HA 0.173 4.497 4.340 -0.027 0.000 0.252 3 Q C -0.557 175.400 176.000 -0.072 0.000 0.877 3 Q CA -0.294 55.488 55.803 -0.036 0.000 1.011 3 Q CB 0.241 28.956 28.738 -0.039 0.000 1.118 3 Q HN 0.099 8.360 8.270 -0.016 0.000 0.458 4 S N -3.875 111.780 115.700 -0.076 0.000 2.527 4 S HA 0.037 4.362 4.470 -0.242 0.000 0.227 4 S C -0.159 174.347 174.600 -0.157 0.000 1.059 4 S CA 0.744 58.833 58.200 -0.185 0.000 0.919 4 S CB 1.326 64.410 63.200 -0.193 0.000 0.805 4 S HN -0.134 8.067 8.310 -0.035 0.088 0.500 5 N N 2.199 120.896 118.700 -0.005 0.000 2.499 5 N HA 0.052 4.893 4.740 0.168 0.000 0.182 5 N C 1.266 176.833 175.510 0.095 0.000 1.034 5 N CA 3.304 56.420 53.050 0.109 0.000 0.882 5 N CB 0.158 38.740 38.487 0.158 0.000 1.125 5 N HN -0.322 8.062 8.380 0.008 0.000 0.436 6 R N 0.954 121.482 120.500 0.047 0.000 2.055 6 R HA -0.217 4.149 4.340 0.043 0.000 0.226 6 R C 1.146 177.436 176.300 -0.015 0.000 1.135 6 R CA 3.891 60.007 56.100 0.026 0.000 0.959 6 R CB 0.229 30.541 30.300 0.019 0.000 0.854 6 R HN -0.226 8.065 8.270 0.035 0.000 0.431 7 E N 0.018 120.195 120.200 -0.037 0.000 2.219 7 E HA -0.295 3.994 4.350 -0.102 0.000 0.198 7 E C 2.519 179.074 176.600 -0.075 0.000 0.998 7 E CA 2.982 59.336 56.400 -0.078 0.000 0.818 7 E CB -0.085 29.568 29.700 -0.079 0.000 0.741 7 E HN 0.196 8.539 8.360 -0.029 0.000 0.477 8 L N -2.444 118.770 121.223 -0.014 0.000 2.049 8 L HA -0.296 4.050 4.340 0.011 0.000 0.203 8 L C 1.498 178.510 176.870 0.237 0.000 1.074 8 L CA 2.717 57.615 54.840 0.096 0.000 0.749 8 L CB -0.013 42.146 42.059 0.167 0.000 0.907 8 L HN -0.292 7.901 8.230 -0.011 0.030 0.439 9 V N -1.586 118.431 119.914 0.171 0.000 2.568 9 V HA -0.379 3.770 4.120 0.048 0.000 0.253 9 V C 2.071 178.127 176.094 -0.064 0.000 1.072 9 V CA 3.963 66.299 62.300 0.061 0.000 1.084 9 V CB -0.572 31.266 31.823 0.024 0.000 0.676 9 V HN -0.495 7.782 8.190 0.144 0.000 0.469 10 V N -0.933 118.862 119.914 -0.197 0.000 2.992 10 V HA -0.298 3.311 4.120 -0.853 0.000 0.250 10 V C 1.370 177.187 176.094 -0.463 0.000 1.090 10 V CA 3.655 65.594 62.300 -0.602 0.000 1.101 10 V CB -0.078 31.322 31.823 -0.706 0.000 0.743 10 V HN -0.408 7.575 8.190 -0.128 0.129 0.468 11 D N 1.016 121.293 120.400 -0.205 0.000 2.224 11 D HA -0.206 4.324 4.640 -0.183 0.000 0.205 11 D C 1.656 177.911 176.300 -0.075 0.000 0.965 11 D CA 2.949 56.851 54.000 -0.163 0.000 0.852 11 D CB 0.088 40.779 40.800 -0.182 0.000 0.947 11 D HN -0.488 7.694 8.370 -0.128 0.111 0.494 12 F N 0.144 120.059 119.950 -0.058 0.000 2.270 12 F HA -0.225 4.314 4.527 0.019 0.000 0.295 12 F C 0.809 176.646 175.800 0.063 0.000 1.087 12 F CA 3.519 61.549 58.000 0.050 0.000 1.365 12 F CB 0.778 39.926 39.000 0.246 0.000 1.056 12 F HN -0.434 7.975 8.300 0.225 0.026 0.506 13 L N -2.769 118.576 121.223 0.202 0.000 2.141 13 L HA -0.438 4.049 4.340 0.244 0.000 0.209 13 L C 1.772 178.785 176.870 0.239 0.000 1.094 13 L CA 2.890 57.854 54.840 0.207 0.000 0.763 13 L CB -0.541 41.652 42.059 0.224 0.000 0.908 13 L HN -0.657 7.646 8.230 0.122 0.000 0.437 14 S N -1.171 114.615 115.700 0.143 0.000 2.362 14 S HA -0.314 4.410 4.470 0.423 0.000 0.221 14 S C 1.724 176.446 174.600 0.204 0.000 1.032 14 S CA 3.159 61.507 58.200 0.246 0.000 0.973 14 S CB 0.205 63.479 63.200 0.123 0.000 0.849 14 S HN -0.299 7.976 8.310 -0.031 0.016 0.465 15 Y N 2.951 123.202 120.300 -0.081 0.000 2.128 15 Y HA -0.320 4.178 4.550 -0.086 0.000 0.284 15 Y C 2.374 178.195 175.900 -0.131 0.000 1.154 15 Y CA 2.994 61.011 58.100 -0.138 0.000 1.149 15 Y CB -0.272 38.028 38.460 -0.266 0.000 0.976 15 Y HN -0.589 7.837 8.280 0.243 0.000 0.505 16 K N -1.132 119.253 120.400 -0.024 0.000 2.026 16 K HA -0.306 3.974 4.320 -0.066 0.000 0.208 16 K C 2.765 179.389 176.600 0.041 0.000 1.048 16 K CA 2.694 58.960 56.287 -0.035 0.000 0.929 16 K CB -0.336 32.146 32.500 -0.029 0.000 0.713 16 K HN -0.657 7.560 8.250 -0.055 0.000 0.439 17 L N -1.411 119.878 121.223 0.111 0.000 2.261 17 L HA -0.371 4.058 4.340 0.148 0.000 0.216 17 L C 1.788 178.750 176.870 0.152 0.000 1.114 17 L CA 2.521 57.464 54.840 0.172 0.000 0.777 17 L CB -0.397 41.837 42.059 0.291 0.000 0.910 17 L HN -0.446 7.867 8.230 0.138 0.000 0.440 18 S N -0.730 115.009 115.700 0.065 0.000 2.383 18 S HA -0.291 4.196 4.470 0.029 0.000 0.227 18 S C 1.791 176.385 174.600 -0.011 0.000 1.026 18 S CA 2.913 61.110 58.200 -0.004 0.000 0.981 18 S CB -0.120 63.002 63.200 -0.130 0.000 0.818 18 S HN -0.292 7.882 8.310 0.045 0.163 0.472 19 Q N 0.236 120.025 119.800 -0.018 0.000 2.197 19 Q HA -0.248 4.073 4.340 -0.031 0.000 0.207 19 Q C 1.483 177.502 176.000 0.032 0.000 0.984 19 Q CA 2.631 58.429 55.803 -0.007 0.000 0.869 19 Q CB -0.039 28.698 28.738 -0.002 0.000 0.906 19 Q HN -0.553 7.612 8.270 -0.027 0.089 0.426 20 K N -4.702 115.748 120.400 0.082 0.000 2.262 20 K HA -0.042 4.337 4.320 0.098 0.000 0.200 20 K C 0.583 177.248 176.600 0.108 0.000 1.049 20 K CA 0.320 56.689 56.287 0.136 0.000 0.979 20 K CB 0.829 33.477 32.500 0.247 0.000 0.773 20 K HN -0.609 7.570 8.250 0.094 0.127 0.474 21 G N -3.500 105.351 108.800 0.085 0.000 2.352 21 G HA2 -0.315 3.627 3.960 -0.029 0.000 0.204 21 G HA3 -0.315 3.595 3.960 -0.083 0.000 0.204 21 G C -0.024 174.858 174.900 -0.029 0.000 1.004 21 G CA -0.192 44.895 45.100 -0.021 0.000 0.648 21 G HN -0.442 7.800 8.290 0.107 0.112 0.491 22 Y N 1.342 121.670 120.300 0.048 0.000 2.546 22 Y HA -0.216 4.375 4.550 0.069 0.000 0.351 22 Y C -0.699 175.236 175.900 0.058 0.000 1.266 22 Y CA 1.088 59.242 58.100 0.091 0.000 1.487 22 Y CB 0.813 39.388 38.460 0.191 0.000 1.365 22 Y HN -0.342 8.098 8.280 0.377 0.066 0.642 23 S N -2.311 113.470 115.700 0.136 0.000 2.542 23 S HA 0.236 4.751 4.470 0.074 0.000 0.293 23 S C -0.338 174.085 174.600 -0.295 0.000 1.089 23 S CA -1.981 56.200 58.200 -0.032 0.000 0.961 23 S CB 2.019 65.148 63.200 -0.119 0.000 1.062 23 S HN 0.030 8.427 8.310 0.144 0.000 0.483 24 W N 5.362 126.521 121.300 -0.235 0.000 2.436 24 W HA -0.091 4.512 4.660 -0.095 0.000 0.284 24 W C 0.145 176.377 176.519 -0.479 0.000 1.225 24 W CA 3.300 60.500 57.345 -0.242 0.000 1.271 24 W CB 0.285 29.761 29.460 0.027 0.000 1.114 24 W HN 0.605 8.913 8.180 0.212 0.000 0.559 25 S N -2.678 112.936 115.700 -0.143 0.000 2.423 25 S HA -0.314 4.155 4.470 -0.002 0.000 0.231 25 S C 0.551 174.915 174.600 -0.395 0.000 1.014 25 S CA 2.022 60.132 58.200 -0.150 0.000 0.965 25 S CB -0.789 62.378 63.200 -0.055 0.000 0.785 25 S HN -0.392 7.886 8.310 -0.027 0.016 0.495 26 Q N -0.491 118.900 119.800 -0.680 0.000 2.248 26 Q HA -0.196 3.962 4.340 -0.303 0.000 0.208 26 Q C 0.447 176.148 176.000 -0.497 0.000 0.984 26 Q CA 2.334 57.778 55.803 -0.599 0.000 0.875 26 Q CB 0.025 28.384 28.738 -0.632 0.000 0.910 26 Q HN -0.109 7.595 8.270 -0.732 0.127 0.433 27 F N -4.352 115.472 119.950 -0.211 0.000 2.389 27 F HA 0.106 4.521 4.527 -0.188 0.000 0.275 27 F C 1.771 177.429 175.800 -0.237 0.000 1.009 27 F CA 0.052 57.888 58.000 -0.273 0.000 1.187 27 F CB 0.168 38.890 39.000 -0.463 0.000 1.139 27 F HN -0.635 6.511 8.300 -1.695 0.137 0.613 28 S N -2.055 113.541 115.700 -0.173 0.000 1.537 28 S HA -0.329 4.191 4.470 0.083 0.000 0.241 28 S C 0.013 174.628 174.600 0.025 0.000 0.763 28 S CA 2.313 60.501 58.200 -0.020 0.000 1.304 28 S CB -0.520 62.684 63.200 0.006 0.000 1.584 28 S HN -0.112 7.945 8.310 -0.420 0.000 0.514 29 D N -0.274 120.117 120.400 -0.015 0.000 3.041 29 D HA -0.252 4.369 4.640 -0.031 0.000 0.220 29 D C -0.910 175.405 176.300 0.026 0.000 1.157 29 D CA 1.768 55.762 54.000 -0.009 0.000 0.876 29 D CB -0.225 40.570 40.800 -0.008 0.000 1.107 29 D HN -0.245 8.019 8.370 -0.020 0.094 0.422 30 V N -3.195 116.738 119.914 0.031 0.000 4.665 30 V HA 0.215 4.355 4.120 0.034 0.000 0.293 30 V C -0.658 175.449 176.094 0.021 0.000 1.444 30 V CA -1.418 60.903 62.300 0.035 0.000 0.868 30 V CB 2.151 34.005 31.823 0.051 0.000 1.311 30 V HN -0.542 7.624 8.190 0.025 0.038 0.455 31 E N 0.317 120.529 120.200 0.021 0.000 3.858 31 E HA 0.152 4.508 4.350 0.011 0.000 0.208 31 E C -1.309 175.299 176.600 0.013 0.000 1.041 31 E CA -0.694 55.714 56.400 0.014 0.000 1.368 31 E CB -0.648 29.060 29.700 0.013 0.000 1.176 31 E HN 0.340 8.716 8.360 0.026 0.000 0.448 32 E N -4.005 116.203 120.200 0.014 0.000 2.340 32 E HA -0.395 3.961 4.350 0.010 0.000 0.240 32 E C -1.274 175.334 176.600 0.014 0.000 1.154 32 E CA 0.779 57.185 56.400 0.011 0.000 0.717 32 E CB -1.974 27.730 29.700 0.006 0.000 1.250 32 E HN 0.291 8.660 8.360 0.015 0.000 0.386 33 N N -3.806 114.906 118.700 0.020 0.000 6.114 33 N HA -0.428 4.327 4.740 0.025 0.000 0.393 33 N C -0.832 174.688 175.510 0.017 0.000 0.998 33 N CA 1.384 54.446 53.050 0.020 0.000 2.178 33 N CB 0.651 39.148 38.487 0.017 0.000 0.678 33 N HN -0.082 8.313 8.380 0.025 0.000 0.598 34 R N -3.437 117.073 120.500 0.016 0.000 3.619 34 R HA -0.370 3.979 4.340 0.014 0.000 0.573 34 R C 0.821 177.130 176.300 0.015 0.000 0.241 34 R CA 1.143 57.251 56.100 0.014 0.000 1.771 34 R CB -0.368 29.939 30.300 0.011 0.000 0.954 34 R HN 0.332 8.612 8.270 0.017 0.000 0.588 35 T N -0.901 113.661 114.554 0.013 0.000 2.569 35 T HA -0.197 4.161 4.350 0.015 0.000 0.263 35 T C 0.401 175.108 174.700 0.013 0.000 1.074 35 T CA 2.666 64.774 62.100 0.013 0.000 1.176 35 T CB 0.269 69.144 68.868 0.012 0.000 0.863 35 T HN 0.281 8.528 8.240 0.012 0.000 0.410 36 E N -1.647 118.559 120.200 0.011 0.000 2.933 36 E HA 0.037 4.509 4.350 0.011 -0.116 0.175 36 E C -1.581 175.024 176.600 0.008 0.000 0.932 36 E CA -0.608 55.798 56.400 0.010 0.000 1.340 36 E CB 0.711 30.416 29.700 0.009 0.000 1.025 36 E HN -0.356 8.010 8.360 0.010 0.000 0.461 37 A N -0.820 122.005 122.820 0.008 0.000 2.303 37 A HA -0.209 4.115 4.320 0.006 0.000 0.286 37 A C -1.618 175.969 177.584 0.005 0.000 1.429 37 A CA 0.482 52.523 52.037 0.006 0.000 0.738 37 A CB -1.555 17.448 19.000 0.005 0.000 1.149 37 A HN 0.134 8.290 8.150 0.009 0.000 0.364 38 P HA -0.048 4.375 4.420 0.005 0.000 0.255 38 P C -0.585 176.718 177.300 0.004 0.000 1.357 38 P CA -0.158 62.945 63.100 0.005 0.000 0.839 38 P CB 0.472 32.175 31.700 0.006 0.000 1.356 39 E N -3.432 116.770 120.200 0.004 0.000 2.240 39 E HA -0.300 4.052 4.350 0.003 0.000 0.194 39 E C -1.186 175.416 176.600 0.003 0.000 1.385 39 E CA 1.201 57.602 56.400 0.003 0.000 0.686 39 E CB -1.379 28.323 29.700 0.002 0.000 1.125 39 E HN 0.093 8.352 8.360 0.004 0.103 0.359 40 G N -0.770 108.032 108.800 0.004 0.000 4.695 40 G HA2 0.056 4.019 3.960 0.004 0.000 0.229 40 G HA3 0.056 4.019 3.960 0.004 0.000 0.229 40 G C -1.258 173.644 174.900 0.005 0.000 2.630 40 G CA 0.264 45.367 45.100 0.004 0.000 0.626 40 G HN -0.044 8.249 8.290 0.004 0.000 0.234 41 T N 0.702 115.258 114.554 0.004 0.000 3.525 41 T HA 0.159 4.511 4.350 0.005 0.000 0.286 41 T C -1.077 173.625 174.700 0.003 0.000 0.944 41 T CA 0.303 62.406 62.100 0.004 0.000 1.063 41 T CB 2.369 71.240 68.868 0.005 0.000 1.179 41 T HN -0.267 8.274 8.240 0.003 -0.299 0.493 42 E N 0.295 120.496 120.200 0.003 0.000 2.383 42 E HA 0.162 4.488 4.350 0.001 0.024 0.275 42 E C -1.417 175.183 176.600 0.000 0.000 0.918 42 E CA -0.909 55.491 56.400 0.001 0.000 0.764 42 E CB 1.687 31.387 29.700 0.001 0.000 1.252 42 E HN -0.612 7.741 8.360 0.003 0.009 0.449 43 S N 1.198 116.898 115.700 -0.001 0.000 3.593 43 S HA -0.175 4.294 4.470 -0.002 0.000 0.301 43 S C -0.521 174.079 174.600 0.000 0.000 1.209 43 S CA 2.025 60.224 58.200 -0.001 0.000 0.878 43 S CB -0.629 62.570 63.200 -0.001 0.000 1.000 43 S HN 0.517 8.826 8.310 -0.001 0.000 0.578 44 E N -2.177 118.023 120.200 0.001 0.000 2.527 44 E HA -0.056 4.295 4.350 0.002 0.000 0.211 44 E C -0.485 176.117 176.600 0.002 0.000 1.031 44 E CA 0.093 56.494 56.400 0.002 0.000 1.654 44 E CB 0.233 29.935 29.700 0.002 0.000 2.873 44 E HN -0.082 8.252 8.360 0.000 0.026 1.109 45 M N -1.336 118.265 119.600 0.002 0.000 7.319 45 M HA -0.328 4.154 4.480 0.002 0.000 0.158 45 M C -1.451 174.851 176.300 0.004 0.000 0.480 45 M CA 1.262 56.563 55.300 0.003 0.000 1.311 45 M CB -0.516 32.086 32.600 0.003 0.000 0.421 45 M HN -0.248 8.043 8.290 0.002 0.000 0.191 46 E N 0.277 120.480 120.200 0.006 0.000 2.995 46 E HA 0.175 4.528 4.350 0.006 0.000 0.203 46 E C -0.993 175.612 176.600 0.008 0.000 0.980 46 E CA -0.034 56.370 56.400 0.007 0.000 1.172 46 E CB 0.527 30.232 29.700 0.007 0.000 1.088 46 E HN 0.286 8.650 8.360 0.006 0.000 0.463 47 T N 1.291 115.850 114.554 0.009 0.000 2.779 47 T HA 0.389 4.746 4.350 0.011 0.000 0.280 47 T C -1.047 173.659 174.700 0.010 0.000 0.987 47 T CA -3.042 59.065 62.100 0.011 0.000 0.966 47 T CB 0.084 68.960 68.868 0.013 0.000 0.933 47 T HN -0.411 7.774 8.240 0.008 0.059 0.442 48 P HA -0.099 4.325 4.420 0.007 0.000 0.210 48 P C -0.925 176.381 177.300 0.009 0.000 1.185 48 P CA 1.515 64.620 63.100 0.009 0.000 0.924 48 P CB 0.381 32.086 31.700 0.008 0.000 0.786 49 S N -6.332 109.375 115.700 0.011 0.000 4.189 49 S HA 0.008 4.485 4.470 0.012 0.000 0.082 49 S C -1.330 173.278 174.600 0.014 0.000 0.857 49 S CA 0.058 58.264 58.200 0.011 0.000 0.856 49 S CB 0.492 63.697 63.200 0.009 0.000 0.873 49 S HN -0.407 7.910 8.310 0.012 0.000 0.747 50 A N 2.096 124.926 122.820 0.016 0.000 3.479 50 A HA -0.049 4.283 4.320 0.020 0.000 0.114 50 A C -1.217 176.379 177.584 0.020 0.000 1.320 50 A CA 0.315 52.362 52.037 0.018 0.000 1.360 50 A CB -0.254 18.755 19.000 0.014 0.000 1.111 50 A HN -0.403 7.757 8.150 0.016 0.000 0.505 51 I N 0.689 121.269 120.570 0.016 0.000 6.364 51 I HA -0.394 3.784 4.170 0.013 0.000 0.126 51 I C -1.835 174.294 176.117 0.020 0.000 1.442 51 I CA -0.456 60.854 61.300 0.017 0.000 2.500 51 I CB -0.477 37.533 38.000 0.018 0.000 2.730 51 I HN 0.124 8.343 8.210 0.014 0.000 0.290 52 N N 6.929 125.638 118.700 0.016 0.000 2.202 52 N HA -0.139 4.612 4.740 0.019 0.000 0.218 52 N C 0.342 175.862 175.510 0.017 0.000 1.328 52 N CA 1.187 54.246 53.050 0.015 0.000 0.884 52 N CB 0.317 38.809 38.487 0.008 0.000 1.106 52 N HN -0.101 8.286 8.380 0.012 0.000 0.439 53 G N -1.732 107.077 108.800 0.014 0.000 2.132 53 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.228 53 G HA3 -0.289 3.678 3.960 0.012 0.000 0.228 53 G C -1.195 173.726 174.900 0.035 0.000 1.000 53 G CA 0.198 45.306 45.100 0.013 0.000 0.693 53 G HN 0.638 8.934 8.290 0.011 0.000 0.515 54 N N -1.096 117.635 118.700 0.051 0.000 3.409 54 N HA 0.007 4.819 4.740 0.120 0.000 0.169 54 N C -2.096 173.475 175.510 0.103 0.000 1.443 54 N CA -0.968 52.136 53.050 0.091 0.000 0.933 54 N CB 0.448 38.983 38.487 0.081 0.000 1.669 54 N HN -0.135 8.270 8.380 0.042 0.000 0.640 55 P HA 0.309 4.781 4.420 0.086 0.000 0.226 55 P C -0.953 176.446 177.300 0.165 0.000 1.758 55 P CA -0.728 62.439 63.100 0.112 0.000 0.896 55 P CB -1.922 29.830 31.700 0.087 0.000 1.784 56 S N -2.140 113.674 115.700 0.190 0.000 3.608 56 S HA -0.304 4.329 4.470 0.272 0.000 0.382 56 S C -0.268 174.523 174.600 0.319 0.000 0.945 56 S CA 0.771 59.124 58.200 0.254 0.000 1.256 56 S CB -0.426 62.882 63.200 0.179 0.000 0.913 56 S HN -0.227 8.090 8.310 0.164 0.091 0.518 57 W N 2.593 123.960 121.300 0.112 0.000 2.848 57 W HA -0.068 4.493 4.660 -0.166 0.000 0.288 57 W C -0.041 176.221 176.519 -0.428 0.000 1.060 57 W CA 1.973 59.253 57.345 -0.108 0.000 1.712 57 W CB 0.197 29.626 29.460 -0.052 0.000 1.155 57 W HN -0.086 8.349 8.180 0.426 0.000 0.540 58 H N -1.804 117.028 119.070 -0.397 0.000 2.635 58 H HA -0.344 4.081 4.556 -0.217 0.000 0.314 58 H C -1.010 173.801 175.328 -0.861 0.000 1.071 58 H CA 0.621 56.394 56.048 -0.459 0.000 1.144 58 H CB -2.329 27.313 29.762 -0.200 0.000 1.405 58 H HN 0.065 8.514 8.280 0.283 0.000 0.398 59 L N -3.923 115.950 121.223 -2.251 0.000 3.678 59 L HA -0.509 2.364 4.340 -2.444 0.000 0.054 59 L C -0.606 175.452 176.870 -1.353 0.000 4.327 59 L CA 2.509 56.294 54.840 -1.757 0.000 0.630 59 L CB -0.929 40.740 42.059 -0.650 0.000 3.502 59 L HN -0.255 5.426 8.230 -4.189 0.035 0.905 60 A N -0.771 121.528 122.820 -0.867 0.000 2.914 60 A HA -0.286 3.914 4.320 -0.200 0.000 0.280 60 A C -1.275 176.132 177.584 -0.296 0.000 1.447 60 A CA 1.121 52.860 52.037 -0.496 0.000 0.759 60 A CB -1.392 17.244 19.000 -0.607 0.000 1.034 60 A HN -0.241 7.506 8.150 -0.622 0.030 0.529 61 D N -5.479 114.780 120.400 -0.236 0.000 3.091 61 D HA -0.023 4.560 4.640 -0.095 0.000 0.306 61 D C -0.281 175.968 176.300 -0.085 0.000 1.660 61 D CA -0.662 53.259 54.000 -0.133 0.000 0.795 61 D CB 0.142 40.866 40.800 -0.127 0.000 1.331 61 D HN -0.120 8.101 8.370 -0.249 0.000 0.490 62 S N 0.867 116.522 115.700 -0.074 0.000 2.587 62 S HA 0.121 4.566 4.470 -0.042 0.000 0.260 62 S C 0.326 174.912 174.600 -0.023 0.000 1.353 62 S CA -0.827 57.348 58.200 -0.041 0.000 0.995 62 S CB 0.724 63.908 63.200 -0.027 0.000 0.912 62 S HN -0.341 7.919 8.310 -0.083 0.000 0.568 63 P HA 0.146 4.561 4.420 -0.007 0.000 0.220 63 P C -1.263 176.036 177.300 -0.002 0.000 1.778 63 P CA -0.596 62.500 63.100 -0.006 0.000 0.912 63 P CB -2.003 29.696 31.700 -0.002 0.000 1.861 64 A N -0.027 122.791 122.820 -0.002 0.000 4.725 64 A HA -0.492 3.830 4.320 0.003 0.000 0.343 64 A C -0.640 176.949 177.584 0.009 0.000 1.760 64 A CA 2.096 54.135 52.037 0.003 0.000 0.747 64 A CB -1.660 17.341 19.000 0.001 0.000 1.450 64 A HN -0.215 7.848 8.150 -0.006 0.083 0.454 65 V N 1.943 121.862 119.914 0.009 0.000 2.999 65 V HA -0.289 3.842 4.120 0.018 0.000 0.307 65 V C -0.125 175.980 176.094 0.019 0.000 1.084 65 V CA 1.188 63.497 62.300 0.015 0.000 1.155 65 V CB 0.508 32.337 31.823 0.011 0.000 0.975 65 V HN -0.233 7.960 8.190 0.006 0.000 0.490 66 N N 2.081 120.799 118.700 0.031 0.000 3.107 66 N HA -0.279 4.486 4.740 0.042 0.000 0.284 66 N C -0.116 175.410 175.510 0.027 0.000 1.807 66 N CA 0.382 53.450 53.050 0.031 0.000 1.776 66 N CB 0.061 38.558 38.487 0.016 0.000 0.810 66 N HN 0.221 8.683 8.380 0.036 -0.060 0.519 67 G N 1.511 110.333 108.800 0.036 0.000 2.850 67 G HA2 -0.333 3.605 3.960 -0.037 0.000 0.207 67 G HA3 -0.333 3.627 3.960 0.000 0.000 0.207 67 G C -1.497 173.445 174.900 0.069 0.000 1.302 67 G CA 0.373 45.479 45.100 0.011 0.000 0.832 67 G HN 0.470 8.794 8.290 0.056 0.000 0.543 68 A N 1.496 124.365 122.820 0.082 0.000 2.164 68 A HA 0.167 4.564 4.320 0.129 0.000 0.218 68 A C 0.806 178.444 177.584 0.090 0.000 2.050 68 A CA 0.295 52.389 52.037 0.095 0.000 0.910 68 A CB 0.539 19.564 19.000 0.042 0.000 1.391 68 A HN -0.634 7.488 8.150 0.055 0.061 0.614 69 T N 1.487 116.066 114.554 0.042 0.000 2.665 69 T HA -0.269 4.076 4.350 -0.008 0.000 0.268 69 T C 0.989 175.698 174.700 0.016 0.000 1.035 69 T CA 4.443 66.550 62.100 0.012 0.000 1.151 69 T CB 0.337 69.209 68.868 0.007 0.000 0.862 69 T HN -0.519 7.741 8.240 0.034 0.000 0.438 70 G N -2.320 106.513 108.800 0.054 0.000 2.544 70 G HA2 -0.209 3.771 3.960 0.034 0.000 0.242 70 G HA3 -0.209 3.796 3.960 0.076 0.000 0.242 70 G C -1.422 173.572 174.900 0.157 0.000 1.247 70 G CA -0.058 45.085 45.100 0.071 0.000 0.840 70 G HN -0.444 7.946 8.290 0.056 -0.067 0.578 71 H N -3.606 115.459 119.070 -0.008 0.000 3.642 71 H HA -0.239 4.313 4.556 -0.007 0.000 0.185 71 H C -0.983 174.339 175.328 -0.010 0.000 0.992 71 H CA 1.270 57.312 56.048 -0.008 0.000 1.216 71 H CB -1.126 28.630 29.762 -0.010 0.000 1.055 71 H HN 0.064 8.388 8.280 0.073 0.000 0.351 72 S N -2.106 113.308 115.700 -0.477 0.000 2.968 72 S HA 0.091 4.314 4.470 -0.411 0.000 0.243 72 S C -0.822 173.656 174.600 -0.204 0.000 0.799 72 S CA -0.174 57.744 58.200 -0.469 0.000 1.101 72 S CB 1.061 63.873 63.200 -0.648 0.000 1.313 72 S HN -0.375 7.716 8.310 -0.221 0.087 0.521 73 S N 0.022 115.646 115.700 -0.128 0.000 2.338 73 S HA -0.063 4.366 4.470 -0.068 0.000 0.144 73 S C -0.796 173.777 174.600 -0.044 0.000 0.669 73 S CA 0.486 58.643 58.200 -0.072 0.000 1.465 73 S CB -0.055 63.110 63.200 -0.059 0.000 0.950 73 S HN -0.407 7.830 8.310 -0.121 0.000 0.294 74 S N 2.107 117.787 115.700 -0.033 0.000 2.629 74 S HA -0.077 4.386 4.470 -0.012 0.000 0.250 74 S C -0.312 174.280 174.600 -0.013 0.000 1.318 74 S CA 1.461 59.653 58.200 -0.014 0.000 0.970 74 S CB 0.488 63.689 63.200 0.000 0.000 0.996 74 S HN -0.572 7.715 8.310 -0.037 0.000 0.563 75 L N -0.384 120.836 121.223 -0.004 0.000 3.040 75 L HA -0.243 4.097 4.340 0.001 0.000 0.594 75 L C -1.496 175.370 176.870 -0.007 0.000 1.002 75 L CA 0.522 55.360 54.840 -0.003 0.000 1.305 75 L CB -0.408 41.650 42.059 -0.002 0.000 1.539 75 L HN 0.133 8.363 8.230 -0.000 0.000 0.746 76 D N 3.277 123.675 120.400 -0.005 0.000 2.359 76 D HA 0.095 4.729 4.640 -0.009 0.000 0.230 76 D C -0.487 175.811 176.300 -0.004 0.000 1.118 76 D CA 0.759 54.755 54.000 -0.006 0.000 0.844 76 D CB 0.827 41.624 40.800 -0.005 0.000 1.059 76 D HN -0.048 8.320 8.370 -0.002 0.000 0.493 77 A N 5.263 128.079 122.820 -0.006 0.000 1.853 77 A HA 0.195 4.514 4.320 -0.002 0.000 0.204 77 A C -0.259 177.321 177.584 -0.006 0.000 1.724 77 A CA 0.622 52.656 52.037 -0.004 0.000 1.105 77 A CB 1.108 20.106 19.000 -0.003 0.000 1.101 77 A HN 0.768 8.913 8.150 -0.009 0.000 0.495 78 R N -2.438 118.057 120.500 -0.009 0.000 3.922 78 R HA -0.360 3.973 4.340 -0.012 0.000 0.447 78 R C -0.924 175.370 176.300 -0.010 0.000 1.035 78 R CA 1.158 57.252 56.100 -0.010 0.000 1.289 78 R CB -2.031 28.264 30.300 -0.009 0.000 1.906 78 R HN 0.292 8.556 8.270 -0.010 0.000 0.540 79 E N -3.503 116.692 120.200 -0.009 0.000 3.181 79 E HA -0.235 4.110 4.350 -0.007 0.000 0.293 79 E C -0.079 176.516 176.600 -0.009 0.000 0.936 79 E CA 0.334 56.729 56.400 -0.009 0.000 0.975 79 E CB -1.018 28.675 29.700 -0.013 0.000 1.496 79 E HN 0.233 8.505 8.360 -0.007 0.083 0.429 80 V N -6.028 113.882 119.914 -0.006 0.000 0.855 80 V HA -0.473 3.646 4.120 -0.002 0.000 0.100 80 V C -1.397 174.692 176.094 -0.008 0.000 0.982 80 V CA 1.698 63.996 62.300 -0.003 0.000 3.011 80 V CB -0.559 31.265 31.823 0.002 0.000 0.429 80 V HN -0.542 7.605 8.190 -0.005 0.039 0.116 81 I N 1.647 122.213 120.570 -0.006 0.000 2.307 81 I HA 0.319 4.477 4.170 -0.019 0.000 0.287 81 I C -0.888 175.215 176.117 -0.024 0.000 1.054 81 I CA -2.760 58.531 61.300 -0.014 0.000 1.218 81 I CB -0.513 37.483 38.000 -0.007 0.000 1.398 81 I HN -0.046 8.164 8.210 0.000 0.000 0.475 82 P HA -0.036 4.355 4.420 -0.048 0.000 0.225 82 P C -0.794 176.451 177.300 -0.092 0.000 1.156 82 P CA 1.408 64.474 63.100 -0.056 0.000 0.787 82 P CB 0.777 32.444 31.700 -0.054 0.000 0.802 83 M N -6.340 113.208 119.600 -0.086 0.000 1.334 83 M HA -0.152 4.257 4.480 -0.118 0.000 0.276 83 M C -0.895 175.352 176.300 -0.088 0.000 2.159 83 M CA 0.681 55.910 55.300 -0.118 0.000 0.544 83 M CB -0.073 32.421 32.600 -0.177 0.000 2.270 83 M HN -0.599 7.621 8.290 -0.064 0.032 0.651 84 A N -0.554 122.211 122.820 -0.091 0.000 4.725 84 A HA -0.520 3.755 4.320 -0.075 0.000 0.343 84 A C 1.217 178.754 177.584 -0.079 0.000 1.760 84 A CA 2.244 54.236 52.037 -0.074 0.000 0.747 84 A CB -1.946 17.024 19.000 -0.050 0.000 1.450 84 A HN 0.212 8.301 8.150 -0.102 0.000 0.454 85 A N 0.209 122.991 122.820 -0.064 0.000 2.032 85 A HA -0.332 3.948 4.320 -0.066 0.000 0.221 85 A C 1.904 179.432 177.584 -0.093 0.000 1.165 85 A CA 2.579 54.574 52.037 -0.070 0.000 0.645 85 A CB -0.193 18.771 19.000 -0.059 0.000 0.807 85 A HN -0.023 8.096 8.150 -0.052 0.000 0.453 86 V N -2.514 117.346 119.914 -0.090 0.000 2.379 86 V HA -0.432 3.642 4.120 -0.077 0.000 0.245 86 V C 1.569 177.585 176.094 -0.131 0.000 1.044 86 V CA 3.680 65.926 62.300 -0.089 0.000 1.036 86 V CB -0.274 31.484 31.823 -0.109 0.000 0.664 86 V HN -0.630 7.366 8.190 -0.083 0.144 0.453 87 K N 0.004 120.307 120.400 -0.162 0.000 1.973 87 K HA -0.375 3.805 4.320 -0.233 0.000 0.212 87 K C 2.643 179.115 176.600 -0.214 0.000 1.047 87 K CA 3.975 60.131 56.287 -0.218 0.000 0.937 87 K CB -0.379 31.979 32.500 -0.237 0.000 0.721 87 K HN -0.546 7.524 8.250 -0.148 0.091 0.440 88 Q N -1.861 117.844 119.800 -0.158 0.000 2.248 88 Q HA -0.329 3.953 4.340 -0.097 0.000 0.208 88 Q C 2.321 178.285 176.000 -0.060 0.000 0.984 88 Q CA 2.805 58.553 55.803 -0.092 0.000 0.875 88 Q CB -0.237 28.476 28.738 -0.042 0.000 0.910 88 Q HN -0.486 7.702 8.270 -0.137 0.000 0.433 89 A N 0.025 122.796 122.820 -0.082 0.000 1.902 89 A HA -0.266 4.016 4.320 -0.063 0.000 0.217 89 A C 1.877 179.471 177.584 0.017 0.000 1.181 89 A CA 3.028 55.019 52.037 -0.078 0.000 0.623 89 A CB -0.604 18.277 19.000 -0.199 0.000 0.818 89 A HN -0.389 7.581 8.150 -0.105 0.117 0.443 90 L N -2.190 119.043 121.223 0.016 0.000 2.141 90 L HA -0.281 4.204 4.340 0.243 0.000 0.209 90 L C 2.027 179.024 176.870 0.212 0.000 1.094 90 L CA 2.328 57.254 54.840 0.142 0.000 0.763 90 L CB -1.111 40.949 42.059 0.002 0.000 0.908 90 L HN -0.472 7.639 8.230 -0.058 0.085 0.437 91 R N -0.251 120.280 120.500 0.053 0.000 2.082 91 R HA -0.426 3.932 4.340 0.030 0.000 0.234 91 R C 2.298 178.680 176.300 0.137 0.000 1.136 91 R CA 3.642 59.784 56.100 0.071 0.000 0.935 91 R CB -0.352 30.003 30.300 0.092 0.000 0.842 91 R HN -0.400 7.733 8.270 -0.035 0.116 0.430 92 E N -2.132 118.136 120.200 0.113 0.000 2.204 92 E HA -0.215 4.197 4.350 0.103 0.000 0.195 92 E C 2.143 178.846 176.600 0.171 0.000 0.990 92 E CA 2.789 59.255 56.400 0.110 0.000 0.821 92 E CB -0.130 29.603 29.700 0.056 0.000 0.750 92 E HN -0.584 7.824 8.360 0.079 0.000 0.477 93 A N -1.688 121.280 122.820 0.247 0.000 2.015 93 A HA -0.111 4.422 4.320 0.354 0.000 0.219 93 A C 1.548 179.418 177.584 0.477 0.000 1.163 93 A CA 2.301 54.580 52.037 0.403 0.000 0.646 93 A CB -0.672 18.648 19.000 0.534 0.000 0.806 93 A HN -0.301 7.872 8.150 0.219 0.109 0.448 94 G N -2.986 106.075 108.800 0.435 0.000 2.422 94 G HA2 -0.249 4.065 3.960 0.590 0.000 0.218 94 G HA3 -0.249 3.955 3.960 0.406 0.000 0.218 94 G C 0.629 175.755 174.900 0.377 0.000 1.140 94 G CA 1.400 46.781 45.100 0.468 0.000 0.775 94 G HN -0.299 8.069 8.290 0.363 0.140 0.545 95 D N 0.755 121.317 120.400 0.270 0.000 2.183 95 D HA -0.118 4.644 4.640 0.203 0.000 0.203 95 D C 1.832 178.268 176.300 0.227 0.000 0.969 95 D CA 2.898 57.023 54.000 0.208 0.000 0.842 95 D CB -0.119 40.761 40.800 0.133 0.000 0.957 95 D HN -0.810 7.591 8.370 0.240 0.113 0.484 96 E N -2.824 117.522 120.200 0.244 0.000 2.502 96 E HA -0.038 4.392 4.350 0.133 0.000 0.194 96 E C -0.100 176.695 176.600 0.325 0.000 1.062 96 E CA 1.341 57.860 56.400 0.198 0.000 0.867 96 E CB 0.057 29.812 29.700 0.092 0.000 0.888 96 E HN -0.499 7.902 8.360 0.260 0.115 0.510 97 F N -0.870 119.314 119.950 0.390 0.000 2.727 97 F HA 0.126 5.073 4.527 0.700 0.000 0.302 97 F C -0.710 175.392 175.800 0.503 0.000 1.107 97 F CA 0.388 58.704 58.000 0.527 0.000 1.277 97 F CB 2.508 41.810 39.000 0.504 0.000 1.079 97 F HN -0.605 7.818 8.300 0.544 0.203 0.594 98 E N -0.955 119.580 120.200 0.557 0.000 2.405 98 E HA 0.081 4.713 4.350 0.470 0.000 0.214 98 E C -1.193 175.562 176.600 0.259 0.000 1.101 98 E CA 0.247 56.887 56.400 0.400 0.000 1.254 98 E CB -0.533 29.342 29.700 0.292 0.000 1.240 98 E HN -0.465 8.178 8.360 0.471 0.000 0.439 99 L N -5.528 115.826 121.223 0.218 0.000 2.713 99 L HA 0.131 4.521 4.340 0.082 0.000 0.223 99 L C 0.182 177.033 176.870 -0.031 0.000 1.040 99 L CA 0.780 55.665 54.840 0.074 0.000 0.894 99 L CB 0.679 42.759 42.059 0.034 0.000 1.361 99 L HN -0.079 8.246 8.230 0.298 0.083 0.490 100 R N -2.729 117.651 120.500 -0.201 0.000 3.151 100 R HA 0.149 4.354 4.340 -0.225 0.000 0.231 100 R C -0.640 175.407 176.300 -0.421 0.000 1.511 100 R CA -0.851 54.973 56.100 -0.459 0.000 1.047 100 R CB 2.000 31.813 30.300 -0.811 0.000 1.565 100 R HN -0.816 7.348 8.270 -0.176 0.000 0.513 101 Y N -3.910 116.429 120.300 0.065 0.000 2.762 101 Y HA -0.574 3.995 4.550 0.031 0.000 0.475 101 Y C 0.955 176.892 175.900 0.062 0.000 1.163 101 Y CA 1.870 60.008 58.100 0.063 0.000 2.761 101 Y CB -1.665 36.866 38.460 0.119 0.000 1.095 101 Y HN 0.190 8.217 8.280 -0.422 0.000 0.592 102 R N -5.007 115.655 120.500 0.271 0.000 1.223 102 R HA -0.554 3.904 4.340 0.196 0.000 0.016 102 R C 0.609 176.999 176.300 0.150 0.000 0.961 102 R CA 2.194 58.401 56.100 0.179 0.000 1.981 102 R CB -1.680 28.684 30.300 0.108 0.000 0.135 102 R HN -0.079 8.375 8.270 0.376 0.041 0.732 103 R N 1.234 121.793 120.500 0.098 0.000 3.213 103 R HA -0.103 4.271 4.340 0.056 0.000 0.188 103 R C 1.138 177.418 176.300 -0.032 0.000 0.931 103 R CA 0.971 57.097 56.100 0.043 0.000 1.218 103 R CB 0.227 30.538 30.300 0.018 0.000 0.742 103 R HN -0.211 8.084 8.270 0.098 0.033 0.484 104 A N -4.347 118.411 122.820 -0.104 0.000 1.255 104 A HA -0.355 3.818 4.320 -0.244 0.000 0.250 104 A C 0.911 178.346 177.584 -0.248 0.000 0.983 104 A CA 2.171 54.039 52.037 -0.282 0.000 1.095 104 A CB -1.691 17.011 19.000 -0.497 0.000 1.471 104 A HN 0.193 8.301 8.150 -0.068 0.000 0.723 105 F N -0.878 119.080 119.950 0.012 0.000 2.325 105 F HA -0.075 4.492 4.527 0.066 0.000 0.299 105 F C 2.056 177.915 175.800 0.098 0.000 1.090 105 F CA 1.428 59.473 58.000 0.076 0.000 1.392 105 F CB -0.360 38.708 39.000 0.113 0.000 1.053 105 F HN -0.269 7.765 8.300 -0.384 0.036 0.521 106 S N -1.214 114.613 115.700 0.212 0.000 2.428 106 S HA -0.255 4.311 4.470 0.160 0.000 0.230 106 S C 1.481 176.129 174.600 0.080 0.000 1.014 106 S CA 2.281 60.565 58.200 0.138 0.000 0.957 106 S CB -0.160 63.099 63.200 0.098 0.000 0.784 106 S HN 0.134 8.513 8.310 0.159 0.026 0.499 107 D N 1.918 122.338 120.400 0.034 0.000 2.162 107 D HA -0.107 4.529 4.640 -0.007 0.000 0.205 107 D C 1.666 177.953 176.300 -0.023 0.000 0.964 107 D CA 2.593 56.584 54.000 -0.015 0.000 0.847 107 D CB 0.084 40.845 40.800 -0.064 0.000 0.988 107 D HN -0.826 7.427 8.370 0.021 0.129 0.480 108 L N -2.138 119.059 121.223 -0.043 0.000 1.994 108 L HA -0.166 4.200 4.340 -0.204 -0.148 0.208 108 L C 2.944 179.915 176.870 0.169 0.000 1.071 108 L CA 2.750 57.524 54.840 -0.110 0.000 0.745 108 L CB -0.065 41.682 42.059 -0.520 0.000 0.892 108 L HN -0.351 7.856 8.230 -0.038 0.000 0.431 109 T N -3.125 111.628 114.554 0.331 0.000 2.881 109 T HA -0.384 4.195 4.350 0.382 0.000 0.270 109 T C 1.833 176.611 174.700 0.131 0.000 1.068 109 T CA 3.633 65.908 62.100 0.292 0.000 1.131 109 T CB -0.968 68.038 68.868 0.230 0.000 0.871 109 T HN -0.273 8.172 8.240 0.341 0.000 0.479 110 S N 0.598 116.342 115.700 0.073 0.000 2.428 110 S HA -0.281 4.170 4.470 -0.031 0.000 0.230 110 S C 0.787 175.401 174.600 0.023 0.000 1.014 110 S CA 2.112 60.319 58.200 0.011 0.000 0.957 110 S CB -0.419 62.781 63.200 0.000 0.000 0.784 110 S HN -0.640 7.585 8.310 0.084 0.135 0.499 111 Q N -1.334 118.485 119.800 0.031 0.000 2.296 111 Q HA 0.099 4.449 4.340 0.015 0.000 0.273 111 Q C -1.060 174.976 176.000 0.059 0.000 0.900 111 Q CA 0.109 55.922 55.803 0.016 0.000 0.993 111 Q CB -0.230 28.484 28.738 -0.041 0.000 1.132 111 Q HN -0.397 7.758 8.270 0.034 0.136 0.439 112 L N -2.484 118.815 121.223 0.126 0.000 1.654 112 L HA 0.190 4.615 4.340 0.141 0.000 0.132 112 L C -1.670 175.360 176.870 0.267 0.000 1.375 112 L CA 0.652 55.607 54.840 0.192 0.000 1.120 112 L CB 2.053 44.288 42.059 0.294 0.000 2.321 112 L HN -0.700 7.507 8.230 0.119 0.095 0.472 113 H N 0.123 119.270 119.070 0.128 0.000 3.025 113 H HA -0.317 4.292 4.556 0.089 0.000 0.350 113 H C -1.514 173.881 175.328 0.110 0.000 1.201 113 H CA -0.305 55.801 56.048 0.097 0.000 1.164 113 H CB -0.996 28.805 29.762 0.066 0.000 1.593 113 H HN -0.447 7.972 8.280 0.231 0.000 0.420 114 I N 1.168 121.921 120.570 0.306 0.000 2.775 114 I HA -0.315 4.018 4.170 0.271 0.000 0.290 114 I C -0.567 175.632 176.117 0.135 0.000 1.203 114 I CA 1.203 62.640 61.300 0.227 0.000 1.433 114 I CB -0.573 37.527 38.000 0.166 0.000 1.354 114 I HN 0.109 8.488 8.210 0.281 0.000 0.579 115 T N 2.875 117.480 114.554 0.085 0.000 2.726 115 T HA 0.298 4.644 4.350 -0.006 0.000 0.314 115 T C -3.075 171.631 174.700 0.009 0.000 1.836 115 T CA -2.055 60.048 62.100 0.004 0.000 0.999 115 T CB -0.102 68.718 68.868 -0.082 0.000 1.800 115 T HN -0.410 7.912 8.240 0.136 0.000 0.507 116 P HA -0.261 4.155 4.420 -0.006 0.000 0.252 116 P C -0.678 176.622 177.300 0.001 0.000 1.183 116 P CA 1.539 64.632 63.100 -0.012 0.000 0.973 116 P CB -1.363 30.321 31.700 -0.028 0.000 0.990 117 G N 4.357 113.176 108.800 0.031 0.000 3.465 117 G HA2 -0.166 3.812 3.960 0.029 0.000 0.196 117 G HA3 -0.166 3.800 3.960 0.010 0.000 0.196 117 G C -0.057 174.879 174.900 0.060 0.000 1.170 117 G CA -0.026 45.092 45.100 0.031 0.000 0.887 117 G HN -0.001 8.320 8.290 0.053 0.000 0.444 118 T N 3.852 118.456 114.554 0.082 0.000 2.649 118 T HA -0.107 4.268 4.350 0.042 0.000 0.337 118 T C -0.677 174.112 174.700 0.148 0.000 1.070 118 T CA 0.725 62.886 62.100 0.101 0.000 1.052 118 T CB 0.304 69.276 68.868 0.173 0.000 0.994 118 T HN -0.445 7.837 8.240 0.071 0.000 0.544 119 A N -0.445 122.367 122.820 -0.014 0.000 3.251 119 A HA 0.157 4.750 4.320 0.455 0.000 0.303 119 A C -1.427 175.661 177.584 -0.827 0.000 1.144 119 A CA -0.237 51.778 52.037 -0.037 0.000 0.606 119 A CB 0.445 19.469 19.000 0.041 0.000 1.494 119 A HN -0.256 7.809 8.150 -0.142 0.000 0.653 120 Y N 0.411 120.227 120.300 -0.807 0.000 2.578 120 Y HA -0.255 3.219 4.550 -1.794 0.000 0.297 120 Y C 0.700 176.360 175.900 -0.400 0.000 1.176 120 Y CA 0.866 58.380 58.100 -0.976 0.000 1.315 120 Y CB 0.511 38.714 38.460 -0.429 0.000 1.031 120 Y HN 0.340 8.570 8.280 -0.083 0.000 0.524 121 Q N 1.261 120.822 119.800 -0.398 0.000 1.890 121 Q HA -0.405 3.717 4.340 -0.362 0.000 0.208 121 Q C 1.859 177.663 176.000 -0.327 0.000 0.982 121 Q CA 3.758 59.364 55.803 -0.328 0.000 0.856 121 Q CB -0.763 27.870 28.738 -0.174 0.000 0.915 121 Q HN 0.056 8.070 8.270 -0.302 0.074 0.427 122 S N -0.472 115.093 115.700 -0.225 0.000 2.370 122 S HA -0.284 4.096 4.470 -0.150 0.000 0.226 122 S C 1.805 176.308 174.600 -0.162 0.000 1.033 122 S CA 2.954 61.061 58.200 -0.155 0.000 1.011 122 S CB -0.517 62.640 63.200 -0.072 0.000 0.852 122 S HN -0.137 8.056 8.310 -0.195 0.000 0.457 123 F N 1.377 121.115 119.950 -0.354 0.000 2.202 123 F HA -0.401 4.117 4.527 -0.014 0.000 0.301 123 F C 1.189 176.874 175.800 -0.191 0.000 1.082 123 F CA 3.257 61.132 58.000 -0.208 0.000 1.313 123 F CB 0.235 39.015 39.000 -0.366 0.000 1.024 123 F HN -0.696 7.460 8.300 -0.227 0.008 0.495 124 E N -1.940 118.029 120.200 -0.384 0.000 2.208 124 E HA -0.406 3.972 4.350 0.046 0.000 0.193 124 E C 2.094 178.555 176.600 -0.232 0.000 0.988 124 E CA 2.762 58.935 56.400 -0.379 0.000 0.828 124 E CB -0.393 28.720 29.700 -0.978 0.000 0.763 124 E HN -0.398 7.526 8.360 -0.532 0.117 0.478 125 Q N -0.193 119.446 119.800 -0.268 0.000 1.969 125 Q HA -0.315 3.923 4.340 -0.169 0.000 0.198 125 Q C 2.264 178.101 176.000 -0.271 0.000 0.978 125 Q CA 3.330 59.005 55.803 -0.213 0.000 0.830 125 Q CB 0.212 28.844 28.738 -0.177 0.000 0.896 125 Q HN -0.703 7.256 8.270 -0.291 0.137 0.431 126 V N -0.274 119.452 119.914 -0.314 0.000 2.282 126 V HA -0.364 3.560 4.120 -0.327 0.000 0.249 126 V C 2.755 178.503 176.094 -0.577 0.000 1.057 126 V CA 3.115 65.178 62.300 -0.395 0.000 1.032 126 V CB -1.008 30.592 31.823 -0.372 0.000 0.645 126 V HN -0.362 7.663 8.190 -0.275 0.000 0.447 127 V N -0.567 118.915 119.914 -0.721 0.000 2.392 127 V HA -0.522 2.966 4.120 -1.053 0.000 0.249 127 V C 1.575 177.126 176.094 -0.905 0.000 1.059 127 V CA 4.420 66.142 62.300 -0.964 0.000 1.051 127 V CB -0.513 30.689 31.823 -1.035 0.000 0.658 127 V HN -0.262 7.506 8.190 -0.702 0.000 0.455 128 N N -0.240 118.157 118.700 -0.506 0.000 2.069 128 N HA -0.378 4.322 4.740 -0.067 0.000 0.191 128 N C 1.864 177.206 175.510 -0.281 0.000 1.031 128 N CA 3.044 55.962 53.050 -0.220 0.000 0.852 128 N CB -0.147 38.300 38.487 -0.066 0.000 1.018 128 N HN -0.532 7.486 8.380 -0.408 0.117 0.423 129 E N -0.038 119.970 120.200 -0.320 0.000 2.160 129 E HA -0.280 3.949 4.350 -0.202 0.000 0.195 129 E C 3.093 179.468 176.600 -0.374 0.000 0.991 129 E CA 2.613 58.842 56.400 -0.286 0.000 0.810 129 E CB -0.331 29.204 29.700 -0.274 0.000 0.742 129 E HN -0.577 7.513 8.360 -0.330 0.072 0.466 130 L N -0.268 120.597 121.223 -0.597 0.000 1.970 130 L HA -0.313 3.710 4.340 -0.528 0.000 0.212 130 L C 2.555 179.067 176.870 -0.596 0.000 1.071 130 L CA 2.734 57.137 54.840 -0.728 0.000 0.751 130 L CB 0.051 41.407 42.059 -1.172 0.000 0.889 130 L HN -0.575 7.129 8.230 -0.679 0.118 0.432 131 F N -4.752 115.016 119.950 -0.302 0.000 2.804 131 F HA -0.010 4.332 4.527 -0.308 0.000 0.303 131 F C 2.232 177.926 175.800 -0.177 0.000 1.154 131 F CA -0.835 57.009 58.000 -0.259 0.000 1.401 131 F CB -1.645 37.228 39.000 -0.211 0.000 1.106 131 F HN -0.449 7.224 8.300 -1.046 0.000 0.568 132 R N -0.769 119.694 120.500 -0.061 0.000 2.237 132 R HA -0.223 4.121 4.340 0.007 0.000 0.219 132 R C 0.602 176.867 176.300 -0.057 0.000 1.080 132 R CA 2.296 58.369 56.100 -0.044 0.000 0.995 132 R CB -0.692 29.556 30.300 -0.086 0.000 0.875 132 R HN -0.410 7.536 8.270 -0.173 0.220 0.462 133 D N -3.911 116.437 120.400 -0.087 0.000 2.234 133 D HA -0.028 4.567 4.640 -0.074 0.000 0.205 133 D C 0.497 176.736 176.300 -0.101 0.000 0.962 133 D CA 1.007 54.951 54.000 -0.093 0.000 0.855 133 D CB 1.307 42.038 40.800 -0.115 0.000 0.951 133 D HN -0.637 7.619 8.370 -0.104 0.051 0.500 134 G N -1.942 106.775 108.800 -0.137 0.000 2.207 134 G HA2 -0.198 3.702 3.960 -0.100 0.000 0.193 134 G HA3 -0.198 3.691 3.960 -0.119 0.000 0.193 134 G C -0.879 173.681 174.900 -0.567 0.000 1.050 134 G CA -0.580 44.409 45.100 -0.185 0.000 0.780 134 G HN -0.488 7.595 8.290 -0.117 0.137 0.504 135 V N -0.695 118.885 119.914 -0.557 0.000 5.981 135 V HA -0.517 3.259 4.120 -0.574 0.000 0.233 135 V C -1.131 173.919 176.094 -1.739 0.000 0.653 135 V CA 0.742 62.435 62.300 -1.012 0.000 0.677 135 V CB -1.649 29.477 31.823 -1.162 0.000 0.632 135 V HN -0.593 7.445 8.190 -0.252 0.000 0.464 136 N N -0.541 117.567 118.700 -0.988 0.000 2.445 136 N HA 0.008 4.052 4.740 -1.161 0.000 0.264 136 N C 0.960 176.001 175.510 -0.782 0.000 1.227 136 N CA -0.501 52.012 53.050 -0.895 0.000 0.963 136 N CB 2.071 40.344 38.487 -0.357 0.000 1.188 136 N HN -0.227 7.815 8.380 -0.565 0.000 0.491 137 W N 0.782 121.821 121.300 -0.434 0.000 2.355 137 W HA -0.285 4.050 4.660 -0.542 0.000 0.309 137 W C 1.694 177.993 176.519 -0.365 0.000 1.206 137 W CA 3.318 60.426 57.345 -0.395 0.000 1.284 137 W CB 0.034 29.387 29.460 -0.178 0.000 1.145 137 W HN 0.333 8.315 8.180 -0.331 0.000 0.502 138 G N -3.303 105.493 108.800 -0.007 0.000 2.470 138 G HA2 -0.199 3.720 3.960 -0.067 0.000 0.220 138 G HA3 -0.199 3.752 3.960 -0.015 0.000 0.220 138 G C 1.202 176.158 174.900 0.094 0.000 1.121 138 G CA 1.663 46.757 45.100 -0.009 0.000 0.766 138 G HN 0.353 8.658 8.290 0.025 0.000 0.553 139 R N 0.643 121.141 120.500 -0.003 0.000 2.153 139 R HA -0.141 4.239 4.340 0.068 0.000 0.218 139 R C 2.197 178.639 176.300 0.237 0.000 1.072 139 R CA 1.986 58.119 56.100 0.055 0.000 0.990 139 R CB -0.480 29.794 30.300 -0.043 0.000 0.889 139 R HN -0.837 7.203 8.270 -0.111 0.164 0.452 140 I N 0.730 121.389 120.570 0.148 0.000 2.233 140 I HA -0.349 4.133 4.170 0.520 0.000 0.243 140 I C 1.733 178.209 176.117 0.598 0.000 1.093 140 I CA 4.022 65.536 61.300 0.358 0.000 1.380 140 I CB 0.086 38.116 38.000 0.051 0.000 1.067 140 I HN -0.356 7.705 8.210 -0.033 0.130 0.413 141 V N -0.043 120.096 119.914 0.375 0.000 2.295 141 V HA -0.527 3.891 4.120 0.496 0.000 0.246 141 V C 1.355 177.713 176.094 0.441 0.000 1.049 141 V CA 4.582 67.166 62.300 0.473 0.000 1.024 141 V CB -0.452 31.658 31.823 0.478 0.000 0.648 141 V HN -0.402 7.897 8.190 0.181 0.000 0.447 142 A N -0.733 122.353 122.820 0.444 0.000 1.972 142 A HA -0.314 3.702 4.320 -0.506 0.000 0.219 142 A C 1.503 179.205 177.584 0.197 0.000 1.169 142 A CA 2.979 55.059 52.037 0.072 0.000 0.635 142 A CB -0.637 18.410 19.000 0.078 0.000 0.810 142 A HN -0.389 8.058 8.150 0.495 0.000 0.446 143 F N -0.830 119.212 119.950 0.153 0.000 2.293 143 F HA -0.307 4.303 4.527 0.138 0.000 0.300 143 F C 0.923 176.723 175.800 -0.000 0.000 1.086 143 F CA 2.386 60.462 58.000 0.127 0.000 1.375 143 F CB -0.077 39.059 39.000 0.227 0.000 1.045 143 F HN -0.530 7.945 8.300 0.489 0.118 0.516 144 F N 0.586 120.060 119.950 -0.793 0.000 2.163 144 F HA -0.362 3.182 4.527 -1.638 0.000 0.297 144 F C 2.082 177.027 175.800 -1.425 0.000 1.094 144 F CA 4.398 61.586 58.000 -1.353 0.000 1.290 144 F CB 0.300 38.628 39.000 -1.120 0.000 1.017 144 F HN -0.379 7.818 8.300 0.067 0.144 0.483 145 S N -0.355 114.948 115.700 -0.662 0.000 2.489 145 S HA -0.245 4.245 4.470 0.033 0.000 0.228 145 S C 2.101 176.266 174.600 -0.725 0.000 0.995 145 S CA 3.285 61.226 58.200 -0.432 0.000 0.934 145 S CB -0.048 62.950 63.200 -0.337 0.000 0.771 145 S HN -0.414 7.675 8.310 -0.368 0.000 0.522 146 F N 3.281 122.735 119.950 -0.827 0.000 2.094 146 F HA -0.150 3.804 4.527 -0.954 0.000 0.291 146 F C 0.960 176.618 175.800 -0.236 0.000 1.109 146 F CA 2.695 60.339 58.000 -0.595 0.000 1.221 146 F CB -0.000 38.934 39.000 -0.109 0.000 1.014 146 F HN -0.275 7.646 8.300 -0.387 0.146 0.473 147 G N -2.430 106.000 108.800 -0.617 0.000 2.443 147 G HA2 -0.362 3.169 3.960 -0.716 0.000 0.219 147 G HA3 -0.362 3.454 3.960 -0.241 0.000 0.219 147 G C 1.195 175.891 174.900 -0.340 0.000 1.131 147 G CA 1.557 46.350 45.100 -0.512 0.000 0.775 147 G HN -0.229 7.883 8.290 -0.296 0.000 0.547 148 G N 0.803 109.455 108.800 -0.247 0.000 2.434 148 G HA2 -0.296 3.759 3.960 0.158 0.000 0.214 148 G HA3 -0.296 4.034 3.960 0.514 -0.061 0.214 148 G C 0.400 175.306 174.900 0.010 0.000 1.202 148 G CA 1.295 46.466 45.100 0.119 0.000 0.788 148 G HN -0.328 7.698 8.290 -0.393 0.028 0.539 149 A N 2.032 124.809 122.820 -0.071 0.000 1.883 149 A HA -0.277 4.028 4.320 -0.024 0.000 0.217 149 A C 2.183 179.696 177.584 -0.119 0.000 1.186 149 A CA 2.780 54.765 52.037 -0.086 0.000 0.624 149 A CB -0.751 18.167 19.000 -0.137 0.000 0.822 149 A HN -0.595 7.481 8.150 -0.124 0.000 0.444 150 L N -3.288 117.804 121.223 -0.218 0.000 2.079 150 L HA -0.408 3.863 4.340 -0.115 0.000 0.210 150 L C 1.612 178.393 176.870 -0.147 0.000 1.081 150 L CA 2.543 57.270 54.840 -0.187 0.000 0.752 150 L CB -0.262 41.611 42.059 -0.309 0.000 0.896 150 L HN -0.460 7.568 8.230 -0.336 0.000 0.433 151 C N -0.832 118.377 119.300 -0.150 0.000 2.436 151 C HA -0.463 3.888 4.460 -0.183 0.000 0.277 151 C C 1.682 176.603 174.990 -0.115 0.000 1.241 151 C CA 3.981 62.923 59.018 -0.127 0.000 1.721 151 C CB -0.135 27.585 27.740 -0.033 0.000 2.043 151 C HN -0.447 7.573 8.230 -0.161 0.114 0.472 152 V N -0.053 119.820 119.914 -0.069 0.000 3.078 152 V HA -0.425 3.625 4.120 -0.116 0.000 0.265 152 V C 2.022 178.051 176.094 -0.109 0.000 1.122 152 V CA 3.648 65.898 62.300 -0.082 0.000 1.141 152 V CB -0.805 31.004 31.823 -0.023 0.000 0.735 152 V HN -0.354 7.811 8.190 -0.041 0.000 0.498 153 E N -0.042 120.103 120.200 -0.091 0.000 2.204 153 E HA -0.266 4.053 4.350 -0.051 0.000 0.194 153 E C 0.998 177.541 176.600 -0.095 0.000 0.989 153 E CA 2.695 59.054 56.400 -0.068 0.000 0.824 153 E CB -0.136 29.541 29.700 -0.038 0.000 0.756 153 E HN -0.336 7.778 8.360 -0.091 0.192 0.477 154 S N -2.310 113.304 115.700 -0.143 0.000 2.510 154 S HA -0.060 4.334 4.470 -0.127 0.000 0.230 154 S C 1.467 175.900 174.600 -0.278 0.000 1.066 154 S CA 3.079 61.174 58.200 -0.175 0.000 0.941 154 S CB 1.489 64.580 63.200 -0.182 0.000 0.829 154 S HN -0.538 7.656 8.310 -0.154 0.023 0.530 155 V N 1.757 121.453 119.914 -0.364 0.000 3.078 155 V HA -0.359 3.481 4.120 -0.591 -0.075 0.265 155 V C 1.067 176.701 176.094 -0.767 0.000 1.122 155 V CA 2.069 64.029 62.300 -0.566 0.000 1.141 155 V CB -0.983 30.511 31.823 -0.549 0.000 0.735 155 V HN -0.479 7.525 8.190 -0.311 0.000 0.498 156 D N -0.809 119.307 120.400 -0.473 0.000 2.263 156 D HA -0.214 4.141 4.640 -0.475 0.000 0.208 156 D C 0.303 176.430 176.300 -0.288 0.000 0.971 156 D CA 2.482 56.254 54.000 -0.380 0.000 0.867 156 D CB 0.074 40.796 40.800 -0.131 0.000 0.929 156 D HN -0.303 7.819 8.370 -0.316 0.058 0.492 157 K N -3.495 116.752 120.400 -0.255 0.000 2.646 157 K HA 0.212 4.554 4.320 0.037 0.000 0.206 157 K C -0.574 175.980 176.600 -0.077 0.000 1.069 157 K CA -1.431 54.811 56.287 -0.076 0.000 1.067 157 K CB -0.558 31.917 32.500 -0.042 0.000 0.807 157 K HN -0.566 7.468 8.250 -0.293 0.040 0.482 158 E N -2.047 118.035 120.200 -0.197 0.000 2.358 158 E HA -0.401 3.905 4.350 -0.073 0.000 0.246 158 E C -1.585 174.920 176.600 -0.158 0.000 1.127 158 E CA 1.111 57.464 56.400 -0.079 0.000 0.726 158 E CB -1.497 28.256 29.700 0.088 0.000 1.272 158 E HN -0.231 7.657 8.360 -0.516 0.162 0.390 159 M N -0.144 119.298 119.600 -0.262 0.000 3.062 159 M HA 0.245 4.616 4.480 -0.182 0.000 0.270 159 M C -0.650 175.447 176.300 -0.339 0.000 1.270 159 M CA -0.994 54.166 55.300 -0.233 0.000 0.702 159 M CB 0.272 32.770 32.600 -0.170 0.000 1.398 159 M HN -0.509 7.572 8.290 -0.349 0.000 0.490 160 Q N 0.042 119.560 119.800 -0.470 0.000 2.482 160 Q HA -0.153 3.797 4.340 -0.650 0.000 0.209 160 Q C 1.263 177.008 176.000 -0.425 0.000 0.961 160 Q CA 1.836 57.249 55.803 -0.649 0.000 0.945 160 Q CB -0.630 27.399 28.738 -1.181 0.000 1.012 160 Q HN 0.225 8.234 8.270 -0.435 0.000 0.515 161 V N -0.211 119.534 119.914 -0.282 0.000 2.688 161 V HA -0.250 3.762 4.120 -0.180 0.000 0.256 161 V C 0.088 176.072 176.094 -0.184 0.000 1.084 161 V CA 2.666 64.852 62.300 -0.190 0.000 1.103 161 V CB -0.614 31.134 31.823 -0.125 0.000 0.688 161 V HN 0.075 8.037 8.190 -0.258 0.074 0.480 162 L N -5.106 115.987 121.223 -0.216 0.000 2.749 162 L HA 0.209 4.447 4.340 -0.169 0.000 0.242 162 L C 0.827 177.487 176.870 -0.350 0.000 1.103 162 L CA -0.006 54.709 54.840 -0.209 0.000 0.906 162 L CB 1.156 43.149 42.059 -0.110 0.000 1.228 162 L HN -0.829 7.215 8.230 -0.242 0.040 0.517 163 V N 1.488 121.179 119.914 -0.371 0.000 2.407 163 V HA -0.428 3.472 4.120 -0.366 0.000 0.248 163 V C 0.766 176.630 176.094 -0.383 0.000 1.055 163 V CA 3.361 65.427 62.300 -0.390 0.000 1.049 163 V CB -0.543 31.020 31.823 -0.434 0.000 0.662 163 V HN -0.315 7.538 8.190 -0.371 0.115 0.455 164 S N -0.192 115.276 115.700 -0.387 0.000 2.368 164 S HA -0.317 4.072 4.470 -0.135 0.000 0.225 164 S C 1.684 176.082 174.600 -0.337 0.000 1.030 164 S CA 3.845 61.885 58.200 -0.266 0.000 0.999 164 S CB -0.184 62.877 63.200 -0.232 0.000 0.844 164 S HN -0.527 7.535 8.310 -0.412 0.000 0.459 165 R N 0.694 120.913 120.500 -0.468 0.000 2.120 165 R HA -0.261 3.820 4.340 -0.431 0.000 0.234 165 R C 2.291 177.532 176.300 -1.765 0.000 1.123 165 R CA 3.143 58.813 56.100 -0.717 0.000 0.975 165 R CB -0.481 29.587 30.300 -0.386 0.000 0.866 165 R HN -0.025 7.933 8.270 -0.395 0.074 0.446 166 I N -0.606 119.034 120.570 -1.550 0.000 2.252 166 I HA -0.507 2.119 4.170 -2.572 0.000 0.245 166 I C 1.034 176.661 176.117 -0.817 0.000 1.102 166 I CA 4.068 64.431 61.300 -1.561 0.000 1.385 166 I CB -0.115 37.382 38.000 -0.839 0.000 1.064 166 I HN -0.389 7.082 8.210 -1.016 0.129 0.414 167 A N -0.986 121.576 122.820 -0.431 0.000 1.972 167 A HA -0.352 3.900 4.320 -0.114 0.000 0.219 167 A C 1.652 179.153 177.584 -0.138 0.000 1.169 167 A CA 2.881 54.832 52.037 -0.142 0.000 0.635 167 A CB -0.908 18.163 19.000 0.118 0.000 0.810 167 A HN -0.420 7.423 8.150 -0.383 0.077 0.446 168 A N -1.584 121.087 122.820 -0.247 0.000 1.930 168 A HA -0.181 4.121 4.320 -0.030 0.000 0.217 168 A C 1.797 179.384 177.584 0.005 0.000 1.175 168 A CA 2.908 54.882 52.037 -0.105 0.000 0.627 168 A CB -0.740 18.205 19.000 -0.092 0.000 0.815 168 A HN -0.368 7.441 8.150 -0.399 0.102 0.443 169 W N -2.373 118.845 121.300 -0.137 0.000 2.354 169 W HA -0.255 4.135 4.660 -0.449 0.000 0.315 169 W C 2.457 179.078 176.519 0.170 0.000 1.206 169 W CA 1.724 59.003 57.345 -0.110 0.000 1.290 169 W CB -0.952 28.446 29.460 -0.103 0.000 1.152 169 W HN -0.441 7.288 8.180 -0.605 0.087 0.489 170 M N -2.460 117.409 119.600 0.449 0.000 2.279 170 M HA -0.462 4.536 4.480 0.863 0.000 0.264 170 M C 2.287 178.813 176.300 0.376 0.000 1.062 170 M CA 3.524 59.177 55.300 0.589 0.000 1.099 170 M CB -0.504 32.356 32.600 0.433 0.000 1.394 170 M HN -0.381 8.037 8.290 0.214 0.000 0.426 171 A N -0.303 122.641 122.820 0.207 0.000 1.855 171 A HA -0.229 4.187 4.320 0.161 0.000 0.215 171 A C 1.911 179.569 177.584 0.123 0.000 1.191 171 A CA 2.988 55.109 52.037 0.140 0.000 0.613 171 A CB -0.856 18.187 19.000 0.071 0.000 0.829 171 A HN -0.309 7.806 8.150 0.151 0.126 0.442 172 T N 0.782 115.373 114.554 0.062 0.000 2.915 172 T HA -0.270 4.088 4.350 0.013 0.000 0.269 172 T C 1.729 176.451 174.700 0.037 0.000 1.071 172 T CA 4.889 66.984 62.100 -0.008 0.000 1.132 172 T CB -0.115 68.647 68.868 -0.176 0.000 0.878 172 T HN -0.470 7.793 8.240 0.039 0.000 0.479 173 Y N 1.642 121.987 120.300 0.076 0.000 2.517 173 Y HA -0.065 4.510 4.550 0.042 0.000 0.281 173 Y C 0.936 176.790 175.900 -0.076 0.000 1.125 173 Y CA 2.323 60.457 58.100 0.057 0.000 1.283 173 Y CB 0.157 38.732 38.460 0.191 0.000 1.042 173 Y HN -0.277 8.068 8.280 0.299 0.115 0.547 174 L N -1.314 120.002 121.223 0.155 0.000 2.416 174 L HA -0.160 4.119 4.340 -0.102 0.000 0.216 174 L C 0.230 177.200 176.870 0.167 0.000 1.098 174 L CA 1.721 56.616 54.840 0.092 0.000 0.840 174 L CB 0.030 42.237 42.059 0.247 0.000 0.981 174 L HN -0.436 7.761 8.230 0.208 0.158 0.462 175 N N -2.334 116.457 118.700 0.151 0.000 2.454 175 N HA 0.014 4.860 4.740 0.177 0.000 0.177 175 N C 0.320 175.888 175.510 0.096 0.000 1.049 175 N CA 1.979 55.112 53.050 0.137 0.000 0.887 175 N CB 1.165 39.719 38.487 0.112 0.000 1.095 175 N HN -0.517 7.947 8.380 0.139 0.000 0.446 176 D N -2.879 117.576 120.400 0.090 0.000 2.368 176 D HA 0.072 4.732 4.640 0.034 0.000 0.218 176 D C -0.805 175.548 176.300 0.088 0.000 1.112 176 D CA 1.493 55.536 54.000 0.073 0.000 0.834 176 D CB 0.548 41.394 40.800 0.077 0.000 0.953 176 D HN -0.553 7.875 8.370 0.097 0.000 0.505 177 H N -2.906 116.127 119.070 -0.062 0.000 1.874 177 H HA 0.116 4.633 4.556 -0.065 0.000 0.163 177 H C 0.534 175.755 175.328 -0.178 0.000 0.956 177 H CA 1.325 57.321 56.048 -0.088 0.000 0.967 177 H CB 2.520 32.286 29.762 0.007 0.000 0.950 177 H HN -0.480 7.808 8.280 0.126 0.068 0.345 178 L N -1.792 119.348 121.223 -0.138 0.000 2.492 178 L HA -0.168 3.929 4.340 -0.405 0.000 0.223 178 L C 1.367 178.215 176.870 -0.037 0.000 1.132 178 L CA 2.248 56.924 54.840 -0.274 0.000 0.850 178 L CB 0.136 41.950 42.059 -0.408 0.000 0.966 178 L HN -0.436 7.757 8.230 -0.063 0.000 0.454 179 E N 0.740 120.977 120.200 0.062 0.000 2.028 179 E HA -0.130 4.353 4.350 0.221 0.000 0.190 179 E C -0.989 175.649 176.600 0.063 0.000 0.984 179 E CA 5.013 61.496 56.400 0.139 0.000 0.800 179 E CB -2.008 27.793 29.700 0.168 0.000 0.758 179 E HN 0.231 8.582 8.360 0.054 0.042 0.448 180 P HA -0.234 4.175 4.420 -0.018 0.000 0.216 180 P C 1.109 178.389 177.300 -0.033 0.000 1.153 180 P CA 2.528 65.618 63.100 -0.017 0.000 0.858 180 P CB -0.252 31.420 31.700 -0.048 0.000 0.789 181 W N -3.108 118.061 121.300 -0.218 0.000 2.576 181 W HA -0.138 4.379 4.660 -0.240 0.000 0.270 181 W C 1.074 177.369 176.519 -0.373 0.000 1.255 181 W CA 2.818 59.987 57.345 -0.294 0.000 1.314 181 W CB 0.435 29.677 29.460 -0.363 0.000 1.101 181 W HN -0.819 7.409 8.180 0.095 0.009 0.595 182 I N -0.603 119.970 120.570 0.004 0.000 2.394 182 I HA -0.657 3.358 4.170 -0.259 0.000 0.251 182 I C 1.832 177.862 176.117 -0.145 0.000 1.136 182 I CA 3.773 64.994 61.300 -0.131 0.000 1.425 182 I CB -0.095 37.797 38.000 -0.180 0.000 1.079 182 I HN -0.437 7.712 8.210 0.059 0.097 0.425 183 Q N -1.280 118.447 119.800 -0.122 0.000 2.297 183 Q HA -0.192 4.141 4.340 -0.013 0.000 0.203 183 Q C 2.453 178.337 176.000 -0.193 0.000 0.931 183 Q CA 2.762 58.518 55.803 -0.078 0.000 0.885 183 Q CB 0.313 29.046 28.738 -0.008 0.000 0.991 183 Q HN -0.278 7.913 8.270 -0.097 0.021 0.498 184 E N 0.373 120.382 120.200 -0.318 0.000 2.347 184 E HA -0.210 3.996 4.350 -0.240 0.000 0.196 184 E C 0.984 177.260 176.600 -0.539 0.000 1.008 184 E CA 2.018 58.196 56.400 -0.371 0.000 0.852 184 E CB -0.058 29.416 29.700 -0.377 0.000 0.783 184 E HN -0.449 7.643 8.360 -0.316 0.078 0.505 185 N N -1.795 116.413 118.700 -0.820 0.000 2.275 185 N HA 0.147 4.535 4.740 -0.587 0.000 0.236 185 N C -1.126 174.197 175.510 -0.312 0.000 1.154 185 N CA -0.342 52.205 53.050 -0.838 0.000 0.866 185 N CB 1.449 38.751 38.487 -1.976 0.000 1.093 185 N HN -0.526 7.293 8.380 -0.868 0.040 0.515 186 G N -1.360 107.348 108.800 -0.153 0.000 2.083 186 G HA2 -0.134 3.836 3.960 0.016 0.000 0.199 186 G HA3 -0.134 3.916 3.960 0.149 0.000 0.199 186 G C -1.777 173.177 174.900 0.090 0.000 2.367 186 G CA -0.210 44.915 45.100 0.042 0.000 1.555 186 G HN -0.615 7.388 8.290 -0.215 0.158 0.490 187 G N -1.514 107.415 108.800 0.214 0.000 2.353 187 G HA2 -0.007 4.179 3.960 0.177 0.000 0.308 187 G HA3 -0.007 4.061 3.960 0.181 0.000 0.308 187 G C -0.425 174.641 174.900 0.277 0.000 1.418 187 G CA -0.643 44.585 45.100 0.214 0.000 0.966 187 G HN -0.853 7.682 8.290 0.407 0.000 0.638 188 W N 0.393 121.869 121.300 0.293 0.000 2.387 188 W HA -0.342 4.566 4.660 0.414 0.000 0.272 188 W C 0.665 177.248 176.519 0.107 0.000 1.224 188 W CA 3.426 60.936 57.345 0.275 0.000 1.210 188 W CB 0.014 29.613 29.460 0.232 0.000 1.125 188 W HN 0.484 8.949 8.180 0.476 0.000 0.572 189 D N -2.609 117.953 120.400 0.269 0.000 2.077 189 D HA -0.329 4.372 4.640 0.102 0.000 0.196 189 D C 2.132 178.445 176.300 0.022 0.000 0.986 189 D CA 3.808 57.879 54.000 0.117 0.000 0.829 189 D CB -0.700 40.158 40.800 0.096 0.000 0.983 189 D HN 0.034 8.534 8.370 0.286 0.041 0.453 190 T N 1.912 116.481 114.554 0.024 0.000 2.665 190 T HA -0.336 3.997 4.350 -0.029 0.000 0.268 190 T C 1.497 176.082 174.700 -0.192 0.000 1.035 190 T CA 4.313 66.389 62.100 -0.039 0.000 1.151 190 T CB 0.005 68.894 68.868 0.035 0.000 0.862 190 T HN -0.377 7.910 8.240 0.077 0.000 0.438 191 F N 1.630 121.229 119.950 -0.584 0.000 2.161 191 F HA -0.321 3.415 4.527 -1.319 0.000 0.300 191 F C 0.935 176.502 175.800 -0.389 0.000 1.089 191 F CA 2.395 59.789 58.000 -1.011 0.000 1.282 191 F CB -0.383 37.656 39.000 -1.602 0.000 1.010 191 F HN -0.475 7.690 8.300 -0.225 0.000 0.485 192 V N -0.589 118.992 119.914 -0.555 0.000 2.407 192 V HA -0.481 3.154 4.120 -0.809 0.000 0.248 192 V C 1.292 177.195 176.094 -0.319 0.000 1.055 192 V CA 3.731 65.722 62.300 -0.514 0.000 1.049 192 V CB -0.528 31.167 31.823 -0.213 0.000 0.662 192 V HN -0.503 7.432 8.190 -0.247 0.107 0.455 193 E N -2.581 117.497 120.200 -0.203 0.000 2.274 193 E HA -0.228 4.066 4.350 -0.092 0.000 0.194 193 E C 1.571 178.124 176.600 -0.079 0.000 0.996 193 E CA 1.707 58.042 56.400 -0.109 0.000 0.840 193 E CB 0.138 29.801 29.700 -0.063 0.000 0.772 193 E HN -0.758 7.379 8.360 -0.189 0.110 0.491 194 L N -1.492 119.671 121.223 -0.100 0.000 2.013 194 L HA -0.262 4.129 4.340 0.085 0.000 0.204 194 L C 1.684 178.697 176.870 0.239 0.000 1.081 194 L CA 3.080 57.962 54.840 0.069 0.000 0.751 194 L CB 0.622 42.714 42.059 0.054 0.000 0.901 194 L HN -0.463 7.484 8.230 -0.208 0.159 0.440 195 Y N -4.034 116.172 120.300 -0.157 0.000 2.464 195 Y HA 0.044 4.591 4.550 -0.005 0.000 0.288 195 Y C 1.172 176.968 175.900 -0.173 0.000 1.133 195 Y CA 0.322 58.376 58.100 -0.076 0.000 1.223 195 Y CB 1.078 39.599 38.460 0.103 0.000 1.187 195 Y HN -0.492 7.781 8.280 -0.011 0.000 0.539 196 G N -0.706 107.967 108.800 -0.211 0.000 2.401 196 G HA2 -0.369 3.509 3.960 -0.137 0.000 0.288 196 G HA3 -0.369 3.432 3.960 -0.305 -0.023 0.288 196 G C -1.448 173.380 174.900 -0.120 0.000 0.917 196 G CA 0.913 45.890 45.100 -0.206 0.000 1.610 196 G HN -0.489 7.512 8.290 -0.482 0.000 0.439 197 N N 4.808 123.463 118.700 -0.075 0.000 2.419 197 N HA -0.015 4.688 4.740 -0.062 0.000 0.277 197 N C -0.223 175.260 175.510 -0.044 0.000 1.006 197 N CA -0.858 52.156 53.050 -0.059 0.000 0.923 197 N CB 1.901 40.354 38.487 -0.056 0.000 1.140 197 N HN -0.335 8.010 8.380 -0.059 0.000 0.488 198 N N 5.798 124.473 118.700 -0.040 0.000 1.997 198 N HA -0.180 4.541 4.740 -0.031 0.000 0.198 198 N C -0.073 175.425 175.510 -0.020 0.000 1.070 198 N CA 2.282 55.314 53.050 -0.030 0.000 0.864 198 N CB 0.213 38.684 38.487 -0.026 0.000 1.066 198 N HN 0.382 8.736 8.380 -0.043 0.000 0.425 199 A N -5.013 117.796 122.820 -0.018 0.000 2.317 199 A HA 0.083 4.396 4.320 -0.012 0.000 0.225 199 A C -0.898 176.678 177.584 -0.013 0.000 2.493 199 A CA -0.150 51.880 52.037 -0.013 0.000 1.840 199 A CB -0.722 18.273 19.000 -0.008 0.000 0.584 199 A HN -0.158 7.979 8.150 -0.021 0.000 0.821 200 A N 0.700 123.510 122.820 -0.016 0.000 1.948 200 A HA -0.247 4.065 4.320 -0.013 0.000 0.220 200 A C 0.724 178.301 177.584 -0.012 0.000 1.177 200 A CA 1.092 53.120 52.037 -0.015 0.000 0.636 200 A CB -0.015 18.975 19.000 -0.017 0.000 0.815 200 A HN 0.289 8.554 8.150 -0.020 -0.127 0.449 201 A N -5.450 117.363 122.820 -0.013 0.000 2.798 201 A HA -0.454 3.860 4.320 -0.010 0.000 0.282 201 A C -0.779 176.799 177.584 -0.010 0.000 1.464 201 A CA 0.813 52.844 52.037 -0.010 0.000 0.844 201 A CB -1.402 17.593 19.000 -0.008 0.000 1.006 201 A HN 0.338 8.467 8.150 -0.015 0.012 0.577 202 E N -3.214 116.979 120.200 -0.011 0.000 3.100 202 E HA 0.002 4.347 4.350 -0.009 0.000 0.191 202 E C -0.476 176.118 176.600 -0.010 0.000 1.097 202 E CA 0.149 56.543 56.400 -0.010 0.000 1.339 202 E CB 1.141 30.835 29.700 -0.010 0.000 1.330 202 E HN -0.034 8.288 8.360 -0.013 0.029 0.511 203 S N 0.731 116.423 115.700 -0.012 0.000 3.697 203 S HA -0.253 4.209 4.470 -0.013 0.000 0.388 203 S C -0.667 173.929 174.600 -0.007 0.000 0.941 203 S CA 0.502 58.695 58.200 -0.012 0.000 1.247 203 S CB -1.317 61.873 63.200 -0.015 0.000 0.904 203 S HN 0.233 8.535 8.310 -0.013 0.000 0.518 204 R N -5.358 115.138 120.500 -0.006 0.000 3.741 204 R HA -0.363 3.974 4.340 -0.005 0.000 0.292 204 R C -0.944 175.354 176.300 -0.002 0.000 1.176 204 R CA 1.684 57.782 56.100 -0.003 0.000 0.794 204 R CB -1.089 29.211 30.300 0.001 0.000 1.213 204 R HN 0.462 8.727 8.270 -0.007 0.000 0.494 205 K N -1.595 118.802 120.400 -0.004 0.000 2.152 205 K HA 0.193 4.512 4.320 -0.003 0.000 0.257 205 K C -1.203 175.394 176.600 -0.005 0.000 0.961 205 K CA -1.806 54.480 56.287 -0.003 0.000 0.816 205 K CB 2.488 34.988 32.500 0.001 0.000 1.501 205 K HN -0.768 7.320 8.250 -0.006 0.158 0.417 206 G N -1.168 107.629 108.800 -0.004 0.000 2.385 206 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.294 206 G HA3 -0.190 3.767 3.960 -0.006 0.000 0.294 206 G C -0.562 174.333 174.900 -0.008 0.000 1.070 206 G CA 0.817 45.914 45.100 -0.005 0.000 1.172 206 G HN 0.050 8.339 8.290 -0.001 0.000 0.516 207 Q N -2.577 117.217 119.800 -0.010 0.000 2.354 207 Q HA 0.082 4.413 4.340 -0.014 0.000 0.276 207 Q C -0.184 175.806 176.000 -0.018 0.000 0.774 207 Q CA -1.120 54.674 55.803 -0.015 0.000 1.046 207 Q CB 0.549 29.276 28.738 -0.019 0.000 1.381 207 Q HN -0.157 8.109 8.270 -0.008 0.000 0.378 208 E N -0.559 119.634 120.200 -0.012 0.000 3.996 208 E HA -0.390 3.956 4.350 -0.006 0.000 0.192 208 E C -0.275 176.318 176.600 -0.011 0.000 1.191 208 E CA 2.133 58.526 56.400 -0.011 0.000 2.324 208 E CB -0.573 29.116 29.700 -0.018 0.000 1.801 208 E HN 0.086 8.441 8.360 -0.008 0.000 0.390 209 R N -4.485 116.000 120.500 -0.025 0.000 1.621 209 R HA -0.071 4.261 4.340 -0.012 0.000 0.034 209 R C -0.071 176.184 176.300 -0.076 0.000 0.812 209 R CA 0.264 56.346 56.100 -0.031 0.000 3.357 209 R CB 0.548 30.838 30.300 -0.016 0.000 0.828 209 R HN -0.042 8.177 8.270 -0.034 0.031 0.567 210 L N -2.191 118.977 121.223 -0.092 0.000 3.911 210 L HA -0.449 3.817 4.340 -0.123 0.000 0.053 210 L C -0.647 176.081 176.870 -0.237 0.000 4.160 210 L CA 2.414 57.172 54.840 -0.136 0.000 0.837 210 L CB -0.724 41.268 42.059 -0.112 0.000 3.418 210 L HN 0.254 8.442 8.230 -0.070 0.000 0.897 211 E N -3.549 116.479 120.200 -0.286 0.000 2.651 211 E HA 0.188 4.131 4.350 -0.679 0.000 0.360 211 E C -0.562 175.794 176.600 -0.406 0.000 0.932 211 E CA 0.112 56.211 56.400 -0.502 0.000 0.761 211 E CB 0.995 30.373 29.700 -0.537 0.000 1.462 211 E HN -0.218 8.020 8.360 -0.203 0.000 0.392 212 H N 1.522 120.502 119.070 -0.149 0.000 2.426 212 H HA -0.130 4.423 4.556 -0.006 0.000 0.298 212 H C -0.339 174.972 175.328 -0.029 0.000 1.107 212 H CA 1.831 57.824 56.048 -0.092 0.000 1.298 212 H CB 0.538 30.250 29.762 -0.084 0.000 1.377 212 H HN 0.367 7.922 8.280 -1.208 0.000 0.519 213 H N -7.233 112.000 119.070 0.272 0.000 4.109 213 H HA 0.013 4.641 4.556 0.121 0.000 0.229 213 H C -2.187 173.254 175.328 0.187 0.000 1.151 213 H CA -0.739 55.447 56.048 0.230 0.000 1.210 213 H CB -0.936 29.008 29.762 0.304 0.000 3.352 213 H HN -0.425 7.584 8.280 -0.416 0.022 0.593 214 H N -1.964 116.966 119.070 -0.232 0.000 4.280 214 H HA -0.214 4.024 4.556 -0.529 0.000 0.273 214 H C -0.185 174.821 175.328 -0.536 0.000 0.628 214 H CA 0.150 55.959 56.048 -0.397 0.000 0.758 214 H CB -0.146 29.486 29.762 -0.218 0.000 1.166 214 H HN -0.166 7.892 8.280 -0.369 0.000 0.310 215 H N 3.112 122.142 119.070 -0.067 0.000 2.482 215 H HA -0.060 4.512 4.556 0.027 0.000 0.286 215 H C 0.772 175.972 175.328 -0.213 0.000 1.017 215 H CA 2.146 58.145 56.048 -0.082 0.000 1.322 215 H CB 0.509 30.314 29.762 0.073 0.000 1.426 215 H HN 0.282 8.310 8.280 -0.420 0.000 0.546 216 H N -2.361 116.553 119.070 -0.260 0.000 2.553 216 H HA -0.058 4.558 4.556 0.100 0.000 0.276 216 H C -0.643 174.630 175.328 -0.092 0.000 0.979 216 H CA 0.143 56.123 56.048 -0.113 0.000 1.268 216 H CB 1.151 30.824 29.762 -0.149 0.000 1.450 216 H HN -0.451 7.858 8.280 0.049 0.000 0.527 217 H N 0.000 118.525 119.070 -0.908 0.000 2.539 217 H HA 0.000 4.327 4.556 -0.381 0.000 0.296 217 H CA 0.000 55.613 56.048 -0.726 0.000 1.023 217 H CB 0.000 29.609 29.762 -0.255 0.000 1.292 217 H HN 0.000 7.656 8.280 -1.040 0.000 0.496