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 3ntc_1_H DATA FIRST_RESID 1 DATA SEQUENCE QVQLVQSGAE VKKPGASVKV ScKASGYTFT NSWIGWFRQA PGQGLEWIGD DATA SEQUENCE IPGGGYTNYN EIFKGKATMT ADTSTNTAYM ELRSEDTAVY YcSRGIPGYM DATA SEQUENCE DYWGQGTLVT VSSASTKGPS VFPLAPSSKS TSGGTAALGc LVKDYFPEPV DATA SEQUENCE TVSWNSGALT SGVHTFPAVL QSSGLYSLSS VVTVPSSSLG TQTYIcNVNH DATA SEQUENCE KPSNTKVDKK VEPKSC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 4.329 4.340 -0.019 0.000 0.214 1 Q C 0.000 175.941 176.000 -0.098 0.000 1.003 1 Q CA 0.000 55.779 55.803 -0.040 0.000 1.022 1 Q CB 0.000 28.718 28.738 -0.033 0.000 1.108 2 V N 2.200 121.951 119.914 -0.271 0.000 2.540 2 V HA -0.127 4.101 4.120 -0.128 -0.184 0.297 2 V C -0.237 175.718 176.094 -0.231 0.000 1.024 2 V CA 1.127 63.196 62.300 -0.385 0.000 1.105 2 V CB 0.062 31.212 31.823 -1.123 0.000 0.938 2 V HN -0.031 7.948 8.190 -0.351 0.000 0.482 3 Q N 6.070 125.847 119.800 -0.038 0.000 2.305 3 Q HA 0.247 4.620 4.340 0.054 0.000 0.271 3 Q C -2.004 174.040 176.000 0.072 0.000 1.046 3 Q CA -1.009 54.812 55.803 0.031 0.000 0.798 3 Q CB 4.296 33.047 28.738 0.022 0.000 1.286 3 Q HN -0.086 8.199 8.270 0.024 0.000 0.435 4 L N 3.512 124.787 121.223 0.087 0.000 2.319 4 L HA 0.551 5.109 4.340 0.059 -0.183 0.281 4 L C -0.981 175.921 176.870 0.055 0.000 1.005 4 L CA -1.345 53.536 54.840 0.068 0.000 0.828 4 L CB 1.907 44.002 42.059 0.060 0.000 1.227 4 L HN 0.252 8.544 8.230 0.105 0.000 0.415 5 V N 5.021 124.951 119.914 0.026 0.000 2.357 5 V HA 0.289 4.564 4.120 0.044 -0.128 0.284 5 V C -0.958 175.150 176.094 0.024 0.000 1.018 5 V CA -1.310 61.006 62.300 0.027 0.000 0.841 5 V CB 1.253 33.081 31.823 0.008 0.000 0.991 5 V HN 0.435 8.629 8.190 0.008 0.000 0.437 6 Q N 7.530 127.360 119.800 0.049 0.000 2.221 6 Q HA 0.686 5.280 4.340 0.072 -0.211 0.242 6 Q C 0.047 176.080 176.000 0.054 0.000 0.940 6 Q CA -1.188 54.656 55.803 0.069 0.000 0.896 6 Q CB 2.456 31.256 28.738 0.104 0.000 1.226 6 Q HN -0.088 8.523 8.270 0.060 -0.305 0.463 7 S N 0.180 115.919 115.700 0.065 0.000 2.608 7 S HA 0.035 4.523 4.470 0.030 0.000 0.261 7 S C 0.581 175.198 174.600 0.029 0.000 1.314 7 S CA -0.174 58.052 58.200 0.043 0.000 0.992 7 S CB 0.566 63.798 63.200 0.054 0.000 0.935 7 S HN -0.185 8.179 8.310 0.091 0.000 0.564 8 G N -1.979 106.824 108.800 0.005 0.000 2.507 8 G HA2 0.008 3.958 3.960 -0.016 0.000 0.271 8 G HA3 0.008 3.947 3.960 -0.034 0.000 0.271 8 G C -1.126 173.757 174.900 -0.029 0.000 1.189 8 G CA -1.320 43.768 45.100 -0.019 0.000 0.859 8 G HN -0.023 8.268 8.290 0.002 0.000 0.542 9 A N 0.886 123.676 122.820 -0.050 0.000 2.520 9 A HA -0.031 4.375 4.320 -0.030 -0.104 0.235 9 A C -0.794 176.740 177.584 -0.082 0.000 1.065 9 A CA 0.634 52.636 52.037 -0.059 0.000 0.764 9 A CB 0.646 19.595 19.000 -0.084 0.000 1.002 9 A HN 0.106 8.223 8.150 -0.056 0.000 0.502 10 E N -0.416 119.746 120.200 -0.063 0.000 2.383 10 E HA 0.315 4.616 4.350 -0.081 0.000 0.275 10 E C -2.029 174.542 176.600 -0.049 0.000 0.918 10 E CA -1.618 54.745 56.400 -0.062 0.000 0.764 10 E CB 4.611 34.287 29.700 -0.041 0.000 1.252 10 E HN -0.321 8.012 8.360 -0.045 0.000 0.449 11 V N 2.186 122.079 119.914 -0.034 0.000 2.539 11 V HA 0.626 4.955 4.120 -0.002 -0.210 0.292 11 V C -0.726 175.385 176.094 0.029 0.000 1.045 11 V CA -1.452 60.851 62.300 0.005 0.000 0.945 11 V CB 1.577 33.429 31.823 0.048 0.000 0.993 11 V HN 0.374 8.543 8.190 -0.034 0.000 0.464 12 K N 7.216 127.643 120.400 0.045 0.000 2.464 12 K HA 0.481 4.820 4.320 0.032 0.000 0.253 12 K C -1.845 174.790 176.600 0.058 0.000 0.933 12 K CA -2.541 53.769 56.287 0.038 0.000 0.801 12 K CB 4.230 36.738 32.500 0.013 0.000 1.271 12 K HN 0.639 8.924 8.250 0.057 0.000 0.430 13 K N 2.244 122.673 120.400 0.049 0.000 2.202 13 K HA 0.395 4.957 4.320 0.068 -0.202 0.264 13 K C -1.267 175.358 176.600 0.042 0.000 1.010 13 K CA -1.921 54.398 56.287 0.052 0.000 0.940 13 K CB -0.183 32.342 32.500 0.042 0.000 0.983 13 K HN 0.107 8.381 8.250 0.039 0.000 0.475 14 P HA -0.417 4.168 4.420 0.040 -0.141 0.265 14 P C 0.394 177.708 177.300 0.024 0.000 1.193 14 P CA 0.883 64.006 63.100 0.037 0.000 0.765 14 P CB -0.184 31.539 31.700 0.038 0.000 0.823 15 G N 2.810 111.621 108.800 0.018 0.000 2.234 15 G HA2 -0.418 3.546 3.960 0.007 0.000 0.235 15 G HA3 -0.418 3.547 3.960 0.008 0.000 0.235 15 G C -0.688 174.213 174.900 0.002 0.000 0.997 15 G CA -0.238 44.867 45.100 0.009 0.000 0.623 15 G HN 0.396 8.698 8.290 0.020 0.000 0.514 16 A N 0.724 123.546 122.820 0.003 0.000 2.249 16 A HA 0.190 4.504 4.320 -0.009 0.000 0.281 16 A C -1.678 175.895 177.584 -0.018 0.000 1.127 16 A CA -0.651 51.383 52.037 -0.006 0.000 0.833 16 A CB 1.167 20.166 19.000 -0.001 0.000 1.140 16 A HN -0.305 7.780 8.150 0.010 0.071 0.502 17 S N -3.117 112.564 115.700 -0.031 0.000 2.607 17 S HA 0.249 4.846 4.470 -0.052 -0.158 0.303 17 S C -1.959 172.603 174.600 -0.063 0.000 1.086 17 S CA -0.978 57.192 58.200 -0.050 0.000 0.995 17 S CB 2.289 65.456 63.200 -0.056 0.000 1.084 17 S HN 0.012 8.304 8.310 -0.029 0.000 0.507 18 V N -0.107 119.750 119.914 -0.096 0.000 2.841 18 V HA 0.267 4.337 4.120 -0.084 0.000 0.310 18 V C -3.037 172.974 176.094 -0.139 0.000 1.090 18 V CA -1.960 60.273 62.300 -0.110 0.000 0.930 18 V CB 2.995 34.736 31.823 -0.136 0.000 1.014 18 V HN 0.073 8.197 8.190 -0.111 0.000 0.425 19 K N 7.697 128.035 120.400 -0.103 0.000 2.507 19 K HA 0.247 4.663 4.320 -0.135 -0.177 0.253 19 K C -0.971 175.612 176.600 -0.028 0.000 0.969 19 K CA -1.074 55.162 56.287 -0.086 0.000 0.908 19 K CB 0.818 33.281 32.500 -0.063 0.000 1.127 19 K HN 0.110 8.313 8.250 -0.078 0.000 0.437 20 V N 9.062 128.924 119.914 -0.088 0.000 2.546 20 V HA 0.171 4.311 4.120 0.033 0.000 0.284 20 V C -0.822 175.348 176.094 0.127 0.000 1.050 20 V CA -0.178 62.123 62.300 0.001 0.000 0.981 20 V CB 1.486 33.287 31.823 -0.037 0.000 0.990 20 V HN 0.494 8.567 8.190 -0.196 0.000 0.474 21 S N 4.625 120.426 115.700 0.168 0.000 2.664 21 S HA 0.708 5.322 4.470 -0.019 -0.155 0.304 21 S C -1.441 173.235 174.600 0.126 0.000 1.099 21 S CA -2.526 55.707 58.200 0.056 0.000 1.003 21 S CB 2.713 65.880 63.200 -0.055 0.000 1.092 21 S HN 0.101 8.496 8.310 0.142 0.000 0.525 22 c N 2.581 121.186 118.600 0.009 0.000 2.919 22 c HA 0.268 4.975 4.570 0.013 -0.130 0.337 22 c C -1.759 172.282 174.090 -0.081 0.000 1.039 22 c CA -0.782 55.550 56.329 0.005 0.000 1.373 22 c CB 0.551 43.045 42.510 -0.026 0.000 1.843 22 c HN 0.525 8.660 8.230 -0.159 0.000 0.493 23 K N 8.563 128.909 120.400 -0.091 0.000 2.276 23 K HA 0.317 4.630 4.320 -0.215 -0.122 0.285 23 K C -1.017 175.522 176.600 -0.102 0.000 1.062 23 K CA -0.514 55.689 56.287 -0.141 0.000 0.918 23 K CB 1.306 33.737 32.500 -0.115 0.000 1.055 23 K HN 0.378 8.592 8.250 -0.060 0.000 0.477 24 A N 6.691 129.410 122.820 -0.169 0.000 2.312 24 A HA 0.836 5.361 4.320 0.055 -0.173 0.326 24 A C -1.308 176.171 177.584 -0.176 0.000 1.172 24 A CA -1.461 50.539 52.037 -0.062 0.000 0.821 24 A CB 1.913 20.967 19.000 0.090 0.000 1.166 24 A HN 0.193 8.158 8.150 -0.309 0.000 0.493 25 S N 1.129 116.783 115.700 -0.078 0.000 2.596 25 S HA 0.207 4.546 4.470 -0.218 0.000 0.270 25 S C -0.231 174.355 174.600 -0.023 0.000 1.155 25 S CA -0.638 57.488 58.200 -0.124 0.000 0.827 25 S CB 2.304 65.450 63.200 -0.090 0.000 1.130 25 S HN 0.230 8.567 8.310 0.044 0.000 0.467 26 G N -0.208 108.562 108.800 -0.050 0.000 2.157 26 G HA2 -0.325 3.626 3.960 -0.014 0.000 0.248 26 G HA3 -0.325 3.849 3.960 0.016 -0.204 0.248 26 G C -2.149 172.814 174.900 0.105 0.000 0.979 26 G CA 0.839 45.946 45.100 0.012 0.000 0.650 26 G HN 0.522 8.757 8.290 -0.091 0.000 0.529 27 Y N -6.110 114.153 120.300 -0.061 0.000 2.750 27 Y HA 0.250 4.773 4.550 -0.045 0.000 0.335 27 Y C -1.807 174.097 175.900 0.008 0.000 1.252 27 Y CA -2.928 55.147 58.100 -0.041 0.000 1.064 27 Y CB 0.687 39.108 38.460 -0.064 0.000 1.321 27 Y HN -0.927 7.186 8.280 -0.197 0.049 0.451 28 T N 3.723 118.310 114.554 0.056 0.000 2.738 28 T HA 0.137 4.433 4.350 -0.091 0.000 0.294 28 T C 0.140 174.819 174.700 -0.035 0.000 0.914 28 T CA -0.167 61.919 62.100 -0.024 0.000 1.052 28 T CB 0.225 69.120 68.868 0.044 0.000 0.897 28 T HN 0.092 8.465 8.240 0.221 0.000 0.522 29 F N 8.418 128.136 119.950 -0.386 0.000 2.161 29 F HA -0.359 3.909 4.527 -0.431 0.000 0.300 29 F C 0.563 176.320 175.800 -0.072 0.000 1.089 29 F CA 3.092 60.904 58.000 -0.313 0.000 1.282 29 F CB 0.106 38.926 39.000 -0.299 0.000 1.010 29 F HN 0.669 8.910 8.300 -0.097 0.000 0.485 30 T N -6.863 107.631 114.554 -0.099 0.000 3.148 30 T HA -0.209 3.945 4.350 -0.327 0.000 0.253 30 T C 0.296 174.900 174.700 -0.160 0.000 1.134 30 T CA 1.429 63.416 62.100 -0.188 0.000 1.051 30 T CB -0.490 68.328 68.868 -0.083 0.000 0.959 30 T HN -0.223 7.999 8.240 -0.000 0.017 0.525 31 N N 0.585 119.244 118.700 -0.068 0.000 2.184 31 N HA 0.356 5.058 4.740 -0.064 0.000 0.206 31 N C -1.409 174.094 175.510 -0.011 0.000 1.151 31 N CA -0.736 52.297 53.050 -0.027 0.000 0.878 31 N CB 1.703 40.211 38.487 0.036 0.000 1.014 31 N HN -0.433 7.876 8.380 -0.012 0.064 0.512 32 S N -0.885 114.801 115.700 -0.023 0.000 2.548 32 S HA 0.269 4.767 4.470 0.045 0.000 0.286 32 S C -1.646 172.902 174.600 -0.086 0.000 1.098 32 S CA -0.684 57.522 58.200 0.009 0.000 0.930 32 S CB 2.409 65.630 63.200 0.034 0.000 1.070 32 S HN -1.007 7.273 8.310 -0.050 0.000 0.480 33 W N 1.342 122.624 121.300 -0.031 0.000 2.170 33 W HA -0.094 4.694 4.660 -0.045 -0.155 0.336 33 W C -0.054 176.426 176.519 -0.064 0.000 1.283 33 W CA 0.322 57.645 57.345 -0.037 0.000 1.224 33 W CB 0.930 30.390 29.460 -0.000 0.000 1.132 33 W HN 0.193 8.589 8.180 0.359 0.000 0.571 34 I N 1.915 122.587 120.570 0.170 0.000 2.321 34 I HA 0.717 5.087 4.170 -0.024 -0.214 0.291 34 I C -0.293 175.843 176.117 0.031 0.000 0.998 34 I CA -2.457 58.861 61.300 0.029 0.000 1.227 34 I CB 0.546 38.544 38.000 -0.003 0.000 1.368 34 I HN 0.487 8.797 8.210 0.167 0.000 0.466 35 G N 5.407 114.145 108.800 -0.104 0.000 2.389 35 G HA2 0.570 4.675 3.960 0.024 0.000 0.328 35 G HA3 0.570 4.528 3.960 -0.004 0.000 0.328 35 G C -2.675 172.003 174.900 -0.370 0.000 1.133 35 G CA -1.332 43.709 45.100 -0.098 0.000 0.891 35 G HN 0.111 8.311 8.290 -0.150 0.000 0.485 36 W N 1.322 122.388 121.300 -0.389 0.000 2.702 36 W HA 0.814 5.641 4.660 -0.056 -0.201 0.331 36 W C -1.393 174.765 176.519 -0.601 0.000 1.049 36 W CA -1.604 55.560 57.345 -0.302 0.000 1.230 36 W CB 3.587 32.895 29.460 -0.253 0.000 1.408 36 W HN 0.586 8.618 8.180 -0.246 0.000 0.492 37 F N -0.311 119.798 119.950 0.265 0.000 2.643 37 F HA 0.912 5.695 4.527 0.190 -0.142 0.314 37 F C -1.613 174.334 175.800 0.245 0.000 1.096 37 F CA -1.380 56.775 58.000 0.258 0.000 0.953 37 F CB 5.207 44.434 39.000 0.377 0.000 1.345 37 F HN 0.588 9.225 8.300 0.562 0.000 0.468 38 R N -2.394 118.298 120.500 0.319 0.000 2.836 38 R HA 0.927 5.450 4.340 0.020 -0.171 0.269 38 R C -2.244 174.137 176.300 0.134 0.000 1.010 38 R CA -1.774 54.338 56.100 0.020 0.000 0.930 38 R CB 4.595 34.584 30.300 -0.519 0.000 1.218 38 R HN 0.690 9.160 8.270 0.335 0.000 0.473 39 Q N 0.524 120.340 119.800 0.028 0.000 2.271 39 Q HA 0.803 5.421 4.340 0.128 -0.201 0.268 39 Q C -2.456 173.559 176.000 0.024 0.000 1.021 39 Q CA -0.767 55.098 55.803 0.103 0.000 0.802 39 Q CB 4.796 33.669 28.738 0.225 0.000 1.282 39 Q HN 0.274 8.471 8.270 -0.122 0.000 0.431 40 A N 6.078 128.926 122.820 0.047 0.000 2.337 40 A HA 0.704 5.041 4.320 0.028 0.000 0.329 40 A C -3.152 174.464 177.584 0.053 0.000 1.146 40 A CA -3.466 48.596 52.037 0.042 0.000 0.800 40 A CB 0.804 19.834 19.000 0.050 0.000 1.220 40 A HN 0.163 8.354 8.150 0.067 0.000 0.472 41 P HA -0.021 4.428 4.420 0.048 0.000 0.268 41 P C -0.123 177.206 177.300 0.048 0.000 1.204 41 P CA 1.357 64.486 63.100 0.049 0.000 0.768 41 P CB 0.202 31.931 31.700 0.048 0.000 0.842 42 G N 4.135 112.961 108.800 0.043 0.000 2.267 42 G HA2 -0.239 3.742 3.960 0.035 0.000 0.257 42 G HA3 -0.239 3.745 3.960 0.040 0.000 0.257 42 G C 0.166 175.091 174.900 0.043 0.000 0.998 42 G CA 0.125 45.249 45.100 0.040 0.000 0.620 42 G HN 0.532 8.845 8.290 0.040 0.000 0.529 43 Q N 0.147 119.978 119.800 0.051 0.000 2.217 43 Q HA 0.107 4.479 4.340 0.054 0.000 0.217 43 Q C 0.855 176.898 176.000 0.071 0.000 0.844 43 Q CA -1.162 54.676 55.803 0.059 0.000 0.957 43 Q CB 0.789 29.565 28.738 0.064 0.000 1.127 43 Q HN -0.356 7.863 8.270 0.054 0.083 0.503 44 G N 0.614 109.454 108.800 0.067 0.000 2.601 44 G HA2 -0.396 3.598 3.960 0.057 0.000 0.252 44 G HA3 -0.396 3.606 3.960 0.070 0.000 0.252 44 G C -2.541 172.427 174.900 0.113 0.000 1.294 44 G CA -0.380 44.764 45.100 0.074 0.000 0.912 44 G HN -0.464 7.861 8.290 0.058 0.000 0.574 45 L N 0.973 122.275 121.223 0.132 0.000 2.317 45 L HA 0.606 5.232 4.340 0.232 -0.147 0.281 45 L C -0.317 176.724 176.870 0.286 0.000 1.024 45 L CA -1.433 53.532 54.840 0.207 0.000 0.810 45 L CB 1.378 43.529 42.059 0.155 0.000 1.240 45 L HN 0.021 8.318 8.230 0.112 0.000 0.427 46 E N 5.396 125.824 120.200 0.380 0.000 2.256 46 E HA 0.302 4.899 4.350 0.411 0.000 0.268 46 E C -2.053 174.869 176.600 0.536 0.000 0.877 46 E CA -2.029 54.629 56.400 0.430 0.000 0.757 46 E CB 4.151 34.091 29.700 0.400 0.000 1.183 46 E HN 0.178 8.774 8.360 0.392 0.000 0.418 47 W N 7.055 128.538 121.300 0.305 0.000 2.287 47 W HA 0.037 4.583 4.660 -0.191 0.000 0.313 47 W C -1.277 175.214 176.519 -0.046 0.000 1.267 47 W CA 0.580 57.937 57.345 0.021 0.000 1.201 47 W CB 0.451 29.917 29.460 0.009 0.000 1.196 47 W HN 0.465 9.031 8.180 0.644 0.000 0.536 48 I N 4.481 124.544 120.570 -0.845 0.000 2.556 48 I HA 0.040 3.578 4.170 -1.052 0.000 0.251 48 I C -0.733 174.599 176.117 -1.308 0.000 1.105 48 I CA 1.350 62.023 61.300 -1.044 0.000 1.436 48 I CB 1.605 39.084 38.000 -0.868 0.000 1.139 48 I HN 0.321 8.029 8.210 -0.838 0.000 0.438 49 G N -4.815 102.992 108.800 -1.654 0.000 2.322 49 G HA2 0.060 2.912 3.960 -1.939 0.000 0.295 49 G HA3 0.060 3.462 3.960 -0.974 -0.026 0.295 49 G C -3.412 171.289 174.900 -0.332 0.000 1.369 49 G CA 0.240 44.563 45.100 -1.296 0.000 0.821 49 G HN -0.687 6.693 8.290 -1.518 0.000 0.536 50 D N -2.587 117.839 120.400 0.044 0.000 2.581 50 D HA 1.056 5.994 4.640 0.255 -0.146 0.232 50 D C -2.284 174.225 176.300 0.348 0.000 1.143 50 D CA -1.862 52.301 54.000 0.272 0.000 0.881 50 D CB 3.950 44.939 40.800 0.316 0.000 1.500 50 D HN 0.056 8.436 8.370 0.017 0.000 0.458 51 I N -3.170 117.666 120.570 0.444 0.000 3.850 51 I HA 1.086 5.657 4.170 0.284 -0.230 0.272 51 I C -2.375 173.761 176.117 0.032 0.000 1.109 51 I CA -3.340 58.116 61.300 0.260 0.000 1.282 51 I CB 3.252 41.334 38.000 0.136 0.000 1.337 51 I HN 0.082 8.555 8.210 0.439 0.000 0.438 52 P HA 0.407 4.639 4.420 -0.314 0.000 0.474 52 P C -0.616 176.484 177.300 -0.335 0.000 1.161 52 P CA 0.021 62.856 63.100 -0.442 0.000 1.921 52 P CB 2.043 33.208 31.700 -0.891 0.000 1.367 53 G N 1.202 109.800 108.800 -0.336 0.000 3.101 53 G HA2 -0.071 3.782 3.960 -0.179 0.000 0.272 53 G HA3 -0.071 3.890 3.960 -0.187 -0.113 0.272 53 G C -0.285 174.456 174.900 -0.264 0.000 0.801 53 G CA -0.067 44.897 45.100 -0.226 0.000 1.978 53 G HN -0.136 7.925 8.290 -0.382 0.000 0.591 54 G N 2.603 111.174 108.800 -0.381 0.000 2.705 54 G HA2 -0.150 3.524 3.960 -0.477 0.000 0.193 54 G HA3 -0.150 3.226 3.960 -0.973 0.000 0.193 54 G C -0.187 174.140 174.900 -0.955 0.000 1.015 54 G CA -0.269 44.402 45.100 -0.716 0.000 0.743 54 G HN -0.499 7.564 8.290 -0.319 0.036 0.476 55 G N 1.809 110.201 108.800 -0.681 0.000 2.136 55 G HA2 -0.358 3.466 3.960 -0.269 0.000 0.242 55 G HA3 -0.358 3.415 3.960 -0.311 0.000 0.242 55 G C -0.087 174.622 174.900 -0.317 0.000 0.989 55 G CA 0.065 44.926 45.100 -0.399 0.000 0.682 55 G HN -0.340 7.603 8.290 -0.578 0.000 0.522 56 Y N -0.576 119.687 120.300 -0.062 0.000 2.511 56 Y HA -0.129 4.456 4.550 0.059 0.000 0.332 56 Y C -1.216 174.746 175.900 0.103 0.000 1.177 56 Y CA -0.493 57.621 58.100 0.024 0.000 1.422 56 Y CB -0.164 38.309 38.460 0.021 0.000 1.271 56 Y HN -0.784 7.040 8.280 -0.759 0.000 0.550 57 T N -0.467 114.272 114.554 0.309 0.000 2.876 57 T HA 0.680 5.366 4.350 0.212 -0.209 0.289 57 T C -0.862 173.942 174.700 0.174 0.000 1.014 57 T CA -2.533 59.673 62.100 0.177 0.000 0.986 57 T CB 2.906 71.777 68.868 0.005 0.000 1.021 57 T HN -0.056 8.380 8.240 0.328 0.000 0.458 58 N N 2.773 121.524 118.700 0.085 0.000 2.342 58 N HA 0.339 5.199 4.740 0.201 0.000 0.293 58 N C -2.106 173.308 175.510 -0.159 0.000 1.026 58 N CA -0.730 52.398 53.050 0.130 0.000 0.857 58 N CB 3.619 42.267 38.487 0.269 0.000 1.256 58 N HN 0.252 8.804 8.380 0.097 -0.114 0.484 59 Y N -0.766 119.550 120.300 0.026 0.000 2.468 59 Y HA 0.088 4.496 4.550 -0.448 -0.126 0.342 59 Y C 0.322 176.119 175.900 -0.171 0.000 1.021 59 Y CA -0.959 57.018 58.100 -0.206 0.000 1.079 59 Y CB 3.184 41.595 38.460 -0.081 0.000 1.226 59 Y HN 0.202 8.668 8.280 0.311 0.000 0.460 60 N N 2.691 121.237 118.700 -0.258 0.000 2.475 60 N HA -0.137 4.787 4.740 0.307 0.000 0.267 60 N C 1.039 176.664 175.510 0.191 0.000 1.169 60 N CA -0.169 52.949 53.050 0.113 0.000 0.947 60 N CB 1.030 39.623 38.487 0.176 0.000 1.061 60 N HN -0.125 7.896 8.380 -0.598 0.000 0.466 61 E N 8.222 128.525 120.200 0.173 0.000 2.187 61 E HA -0.314 4.091 4.350 0.092 0.000 0.199 61 E C 2.236 178.856 176.600 0.033 0.000 1.004 61 E CA 3.042 59.501 56.400 0.099 0.000 0.813 61 E CB -0.138 29.613 29.700 0.085 0.000 0.736 61 E HN 0.688 9.168 8.360 0.201 0.000 0.468 62 I N -5.030 115.540 120.570 -0.000 0.000 2.614 62 I HA -0.266 3.819 4.170 -0.143 0.000 0.258 62 I C 0.024 175.935 176.117 -0.343 0.000 1.189 62 I CA 1.924 63.114 61.300 -0.184 0.000 1.462 62 I CB -0.051 37.790 38.000 -0.266 0.000 1.092 62 I HN -0.761 7.694 8.210 0.053 -0.213 0.442 63 F N -2.024 117.925 119.950 -0.003 0.000 2.678 63 F HA 0.031 4.549 4.527 -0.014 0.000 0.305 63 F C -0.712 175.045 175.800 -0.072 0.000 1.090 63 F CA -0.042 57.946 58.000 -0.020 0.000 1.272 63 F CB 0.944 39.934 39.000 -0.017 0.000 1.060 63 F HN -0.347 7.899 8.300 0.157 0.148 0.576 64 K N 0.615 121.040 120.400 0.042 0.000 2.451 64 K HA -0.283 3.866 4.320 -0.285 0.000 0.280 64 K C 0.758 177.283 176.600 -0.126 0.000 1.020 64 K CA 1.733 57.946 56.287 -0.123 0.000 1.008 64 K CB 0.113 32.564 32.500 -0.082 0.000 0.917 64 K HN -0.958 7.207 8.250 0.052 0.116 0.478 65 G N 3.923 112.602 108.800 -0.202 0.000 2.241 65 G HA2 -0.334 3.536 3.960 -0.150 0.000 0.244 65 G HA3 -0.334 3.565 3.960 -0.101 0.000 0.244 65 G C -0.344 174.500 174.900 -0.093 0.000 0.998 65 G CA 1.023 46.042 45.100 -0.134 0.000 0.621 65 G HN 0.670 8.769 8.290 -0.319 0.000 0.519 66 K N 1.005 121.369 120.400 -0.060 0.000 2.387 66 K HA 0.179 4.484 4.320 -0.025 0.000 0.197 66 K C -1.472 175.125 176.600 -0.005 0.000 1.127 66 K CA 0.217 56.498 56.287 -0.010 0.000 0.950 66 K CB 2.570 35.098 32.500 0.047 0.000 1.017 66 K HN -0.503 7.634 8.250 -0.054 0.081 0.519 67 A N -1.337 121.486 122.820 0.005 0.000 2.324 67 A HA 0.937 5.438 4.320 -0.043 -0.207 0.330 67 A C -1.593 175.988 177.584 -0.004 0.000 1.165 67 A CA -1.591 50.445 52.037 -0.001 0.000 0.813 67 A CB 2.308 21.333 19.000 0.042 0.000 1.197 67 A HN -0.419 7.734 8.150 0.006 0.000 0.484 68 T N 4.694 119.247 114.554 -0.001 0.000 2.949 68 T HA 0.321 4.790 4.350 0.199 0.000 0.300 68 T C -0.863 173.848 174.700 0.020 0.000 0.988 68 T CA -0.658 61.484 62.100 0.070 0.000 0.993 68 T CB 1.837 70.694 68.868 -0.017 0.000 0.984 68 T HN 0.246 8.443 8.240 -0.071 0.000 0.442 69 M N 8.848 128.508 119.600 0.100 0.000 2.264 69 M HA 0.681 5.276 4.480 -0.150 -0.205 0.352 69 M C -0.548 175.791 176.300 0.064 0.000 1.173 69 M CA -0.005 55.272 55.300 -0.038 0.000 1.075 69 M CB 2.129 34.668 32.600 -0.103 0.000 1.621 69 M HN 0.219 8.690 8.290 0.300 0.000 0.457 70 T N -2.587 112.031 114.554 0.106 0.000 2.865 70 T HA 0.434 4.847 4.350 0.106 0.000 0.294 70 T C -2.258 172.591 174.700 0.249 0.000 1.119 70 T CA -2.242 59.945 62.100 0.145 0.000 1.007 70 T CB 3.168 72.102 68.868 0.111 0.000 1.225 70 T HN 0.109 8.421 8.240 0.121 0.000 0.515 71 A N 0.214 123.169 122.820 0.225 0.000 2.459 71 A HA 0.401 5.095 4.320 0.381 -0.145 0.296 71 A C -1.830 175.921 177.584 0.278 0.000 1.039 71 A CA -0.565 51.653 52.037 0.302 0.000 0.698 71 A CB 3.373 22.500 19.000 0.210 0.000 1.261 71 A HN 0.245 8.492 8.150 0.161 0.000 0.405 72 D N 3.386 123.978 120.400 0.320 0.000 2.427 72 D HA 0.275 5.015 4.640 0.166 0.000 0.226 72 D C 0.719 177.117 176.300 0.163 0.000 1.076 72 D CA -1.385 52.740 54.000 0.209 0.000 0.849 72 D CB 1.408 42.341 40.800 0.222 0.000 1.052 72 D HN 0.176 8.750 8.370 0.339 0.000 0.515 73 T N 2.038 116.698 114.554 0.178 0.000 3.118 73 T HA -0.049 4.499 4.350 0.330 0.000 0.260 73 T C 1.021 175.743 174.700 0.036 0.000 1.139 73 T CA 2.146 64.358 62.100 0.188 0.000 1.085 73 T CB -0.128 68.835 68.868 0.158 0.000 0.934 73 T HN 0.238 8.565 8.240 0.145 0.000 0.518 74 S N 2.597 118.300 115.700 0.005 0.000 2.470 74 S HA 0.005 4.459 4.470 -0.026 0.000 0.225 74 S C 1.015 175.572 174.600 -0.072 0.000 1.006 74 S CA 1.928 60.112 58.200 -0.027 0.000 0.934 74 S CB 0.253 63.446 63.200 -0.011 0.000 0.778 74 S HN -0.092 8.466 8.310 0.024 -0.234 0.517 75 T N -3.843 110.647 114.554 -0.107 0.000 3.040 75 T HA 0.145 4.411 4.350 -0.141 0.000 0.266 75 T C 0.310 174.806 174.700 -0.339 0.000 1.005 75 T CA -0.557 61.448 62.100 -0.158 0.000 0.906 75 T CB 1.162 69.981 68.868 -0.082 0.000 1.082 75 T HN -0.733 7.579 8.240 -0.089 -0.125 0.531 76 N N 1.177 119.545 118.700 -0.554 0.000 2.714 76 N HA -0.429 2.939 4.740 -2.286 0.000 0.252 76 N C -2.065 172.718 175.510 -1.212 0.000 1.014 76 N CA 0.990 53.208 53.050 -1.387 0.000 0.735 76 N CB -1.446 36.435 38.487 -1.009 0.000 0.924 76 N HN -0.074 8.059 8.380 -0.412 0.000 0.540 77 T N -0.745 113.394 114.554 -0.692 0.000 2.812 77 T HA 0.560 4.829 4.350 -0.407 -0.162 0.282 77 T C -1.990 172.592 174.700 -0.198 0.000 0.990 77 T CA -0.476 61.374 62.100 -0.417 0.000 0.960 77 T CB 2.859 71.504 68.868 -0.372 0.000 0.948 77 T HN -0.689 7.254 8.240 -0.496 0.000 0.438 78 A N 5.826 128.608 122.820 -0.063 0.000 2.306 78 A HA 0.678 5.268 4.320 0.250 -0.120 0.330 78 A C -2.324 175.235 177.584 -0.042 0.000 1.146 78 A CA -2.286 49.851 52.037 0.167 0.000 0.827 78 A CB 2.960 22.218 19.000 0.430 0.000 1.178 78 A HN 0.472 8.592 8.150 -0.050 0.000 0.490 79 Y N -2.737 117.725 120.300 0.270 0.000 2.477 79 Y HA 0.743 5.544 4.550 0.081 -0.202 0.347 79 Y C -1.097 174.612 175.900 -0.319 0.000 0.981 79 Y CA -1.933 56.188 58.100 0.036 0.000 1.033 79 Y CB 5.010 43.461 38.460 -0.015 0.000 1.245 79 Y HN 0.369 8.867 8.280 0.364 0.000 0.455 80 M N 2.689 121.960 119.600 -0.548 0.000 2.142 80 M HA 0.602 4.857 4.480 -0.647 -0.163 0.299 80 M C -2.176 173.853 176.300 -0.452 0.000 0.960 80 M CA -1.428 53.378 55.300 -0.823 0.000 0.920 80 M CB 3.058 34.615 32.600 -1.739 0.000 1.541 80 M HN 0.401 8.412 8.290 -0.465 0.000 0.429 81 E N 7.074 127.104 120.200 -0.283 0.000 2.227 81 E HA 1.075 5.518 4.350 -0.209 -0.218 0.268 81 E C -1.762 174.723 176.600 -0.192 0.000 0.990 81 E CA -2.390 53.888 56.400 -0.203 0.000 0.856 81 E CB 3.800 33.419 29.700 -0.134 0.000 1.159 81 E HN 0.482 8.696 8.360 -0.243 0.000 0.401 82 L N -0.923 120.308 121.223 0.013 0.000 2.643 82 L HA 0.314 4.846 4.340 0.041 -0.167 0.257 82 L C -1.833 175.061 176.870 0.040 0.000 0.922 82 L CA -0.007 54.851 54.840 0.030 0.000 0.909 82 L CB 4.108 46.181 42.059 0.023 0.000 1.424 82 L HN 0.444 8.677 8.230 0.005 0.000 0.422 83 R N 1.774 122.308 120.500 0.057 0.000 2.919 83 R HA 0.381 4.750 4.340 0.049 0.000 0.260 83 R C 0.216 176.560 176.300 0.074 0.000 1.067 83 R CA -1.903 54.231 56.100 0.056 0.000 1.003 83 R CB 2.550 32.879 30.300 0.048 0.000 1.192 83 R HN 0.381 9.003 8.270 0.069 -0.310 0.488 84 S N 1.625 117.368 115.700 0.071 0.000 2.387 84 S HA -0.365 4.162 4.470 0.094 0.000 0.230 84 S C 1.550 176.205 174.600 0.092 0.000 1.035 84 S CA 3.297 61.547 58.200 0.084 0.000 1.014 84 S CB 0.086 63.331 63.200 0.076 0.000 0.836 84 S HN 0.600 8.947 8.310 0.062 0.000 0.466 85 E N -0.060 120.189 120.200 0.082 0.000 2.409 85 E HA -0.190 4.209 4.350 0.083 0.000 0.198 85 E C 0.497 177.169 176.600 0.120 0.000 1.024 85 E CA 2.014 58.465 56.400 0.086 0.000 0.861 85 E CB -0.460 29.278 29.700 0.064 0.000 0.788 85 E HN 0.280 8.669 8.360 0.071 0.013 0.521 86 D N -2.412 118.075 120.400 0.144 0.000 2.349 86 D HA 0.049 4.846 4.640 0.262 0.000 0.224 86 D C -0.271 176.181 176.300 0.253 0.000 1.029 86 D CA 1.074 55.210 54.000 0.226 0.000 0.879 86 D CB 0.127 41.056 40.800 0.215 0.000 0.906 86 D HN -0.396 7.892 8.370 0.126 0.157 0.528 87 T N 3.325 117.982 114.554 0.172 0.000 2.784 87 T HA -0.210 4.478 4.350 0.181 -0.229 0.291 87 T C -1.234 173.539 174.700 0.121 0.000 0.942 87 T CA 2.756 64.949 62.100 0.155 0.000 1.161 87 T CB 0.057 68.996 68.868 0.118 0.000 0.885 87 T HN -0.542 7.728 8.240 0.143 0.056 0.534 88 A N 5.752 128.645 122.820 0.120 0.000 2.522 88 A HA 0.219 4.522 4.320 -0.029 0.000 0.291 88 A C -3.015 174.512 177.584 -0.095 0.000 1.039 88 A CA -0.353 51.652 52.037 -0.053 0.000 0.643 88 A CB 2.830 21.680 19.000 -0.250 0.000 1.310 88 A HN 0.041 8.309 8.150 0.196 0.000 0.436 89 V N -0.434 119.367 119.914 -0.189 0.000 2.406 89 V HA 0.102 4.332 4.120 -0.097 -0.169 0.272 89 V C -0.940 174.913 176.094 -0.401 0.000 1.043 89 V CA -0.550 61.616 62.300 -0.222 0.000 0.915 89 V CB 0.797 32.463 31.823 -0.261 0.000 0.988 89 V HN -0.012 8.082 8.190 -0.159 0.000 0.466 90 Y N 6.599 126.825 120.300 -0.123 0.000 2.330 90 Y HA 0.289 5.073 4.550 0.126 -0.158 0.336 90 Y C -0.407 175.487 175.900 -0.010 0.000 1.036 90 Y CA -1.231 56.892 58.100 0.038 0.000 1.125 90 Y CB 1.707 40.238 38.460 0.119 0.000 1.194 90 Y HN 0.341 8.722 8.280 0.169 0.000 0.469 91 Y N 0.968 121.525 120.300 0.428 0.000 2.429 91 Y HA 0.308 5.009 4.550 0.252 0.000 0.342 91 Y C -1.011 174.917 175.900 0.046 0.000 1.004 91 Y CA -0.366 57.914 58.100 0.299 0.000 1.075 91 Y CB 3.661 42.384 38.460 0.438 0.000 1.214 91 Y HN 0.508 9.121 8.280 0.555 0.000 0.455 92 c N -2.009 116.491 118.600 -0.166 0.000 2.401 92 c HA 1.224 5.439 4.570 -0.944 -0.211 0.356 92 c C -0.926 172.878 174.090 -0.477 0.000 1.192 92 c CA -3.802 52.074 56.329 -0.756 0.000 2.028 92 c CB 3.798 45.549 42.510 -1.266 0.000 2.344 92 c HN 0.574 8.779 8.230 -0.042 0.000 0.525 93 S N -1.729 113.639 115.700 -0.554 0.000 2.615 93 S HA 0.289 4.504 4.470 -0.426 0.000 0.269 93 S C -1.594 172.838 174.600 -0.279 0.000 1.161 93 S CA -0.700 57.174 58.200 -0.544 0.000 0.817 93 S CB 2.750 65.248 63.200 -1.170 0.000 1.131 93 S HN 0.183 8.144 8.310 -0.582 0.000 0.467 94 R N 1.443 121.846 120.500 -0.162 0.000 2.494 94 R HA 0.771 5.238 4.340 -0.073 -0.170 0.305 94 R C -1.675 174.603 176.300 -0.036 0.000 0.959 94 R CA -1.765 54.276 56.100 -0.098 0.000 0.864 94 R CB 4.090 34.267 30.300 -0.206 0.000 1.159 94 R HN 0.352 8.537 8.270 -0.143 0.000 0.446 95 G N 4.926 113.746 108.800 0.033 0.000 2.805 95 G HA2 0.480 4.488 3.960 0.079 0.000 0.283 95 G HA3 0.480 4.514 3.960 0.123 0.000 0.283 95 G C -2.404 172.601 174.900 0.176 0.000 1.508 95 G CA -0.740 44.422 45.100 0.104 0.000 1.042 95 G HN 0.567 8.896 8.290 0.064 0.000 0.543 96 I N 5.545 126.189 120.570 0.124 0.000 2.710 96 I HA -0.119 4.138 4.170 0.144 0.000 0.286 96 I C -1.511 174.800 176.117 0.324 0.000 1.181 96 I CA -1.002 60.399 61.300 0.168 0.000 1.430 96 I CB 0.402 38.421 38.000 0.031 0.000 1.367 96 I HN 0.434 8.687 8.210 0.072 0.000 0.577 97 P HA -0.219 4.416 4.420 0.358 0.000 0.261 97 P C 0.004 177.453 177.300 0.248 0.000 1.183 97 P CA 1.516 64.817 63.100 0.335 0.000 0.761 97 P CB 0.051 31.939 31.700 0.314 0.000 0.785 98 G N 1.586 110.436 108.800 0.082 0.000 2.213 98 G HA2 -0.290 3.585 3.960 -0.142 0.000 0.236 98 G HA3 -0.290 3.555 3.960 -0.192 0.000 0.236 98 G C -1.052 173.648 174.900 -0.333 0.000 0.991 98 G CA -0.146 44.871 45.100 -0.138 0.000 0.629 98 G HN 0.375 8.696 8.290 0.051 0.000 0.517 99 Y N -0.955 119.346 120.300 0.001 0.000 3.246 99 Y HA 0.178 4.722 4.550 -0.010 0.000 0.313 99 Y C -0.713 175.178 175.900 -0.016 0.000 1.468 99 Y CA -1.154 56.944 58.100 -0.004 0.000 0.824 99 Y CB 1.410 39.879 38.460 0.014 0.000 1.144 99 Y HN -0.316 8.042 8.280 0.230 0.061 0.790 100 M N 0.721 120.383 119.600 0.104 0.000 2.205 100 M HA 0.235 4.898 4.480 0.048 -0.154 0.344 100 M C -0.898 175.513 176.300 0.185 0.000 1.085 100 M CA -0.697 54.656 55.300 0.088 0.000 1.001 100 M CB 1.384 34.009 32.600 0.042 0.000 1.626 100 M HN -0.135 8.220 8.290 0.107 0.000 0.442 101 D N 3.890 124.352 120.400 0.103 0.000 2.714 101 D HA 0.257 5.011 4.640 0.190 0.000 0.278 101 D C -1.066 175.336 176.300 0.171 0.000 1.102 101 D CA -1.536 52.526 54.000 0.103 0.000 1.108 101 D CB 3.873 44.625 40.800 -0.081 0.000 1.444 101 D HN 0.400 8.797 8.370 0.046 0.000 0.568 102 Y N -5.474 114.914 120.300 0.147 0.000 3.108 102 Y HA -0.391 4.217 4.550 0.096 0.000 0.208 102 Y C -0.768 175.215 175.900 0.139 0.000 1.245 102 Y CA 0.944 59.101 58.100 0.096 0.000 1.171 102 Y CB -2.449 36.007 38.460 -0.005 0.000 1.331 102 Y HN 0.321 8.346 8.280 -0.425 0.000 0.534 103 W N -1.993 119.294 121.300 -0.021 0.000 2.231 103 W HA -0.110 4.696 4.660 -0.016 -0.156 0.341 103 W C 1.489 178.036 176.519 0.047 0.000 1.298 103 W CA 0.795 58.120 57.345 -0.033 0.000 1.266 103 W CB -0.139 29.208 29.460 -0.189 0.000 1.172 103 W HN -0.522 8.047 8.180 0.647 0.000 0.568 104 G N 2.373 111.328 108.800 0.259 0.000 2.716 104 G HA2 -0.115 4.107 3.960 0.184 0.000 0.251 104 G HA3 -0.115 3.954 3.960 0.181 0.000 0.251 104 G C -0.641 174.471 174.900 0.353 0.000 1.224 104 G CA -0.447 44.794 45.100 0.235 0.000 0.891 104 G HN 0.016 8.406 8.290 0.166 0.000 0.561 105 Q N -0.687 119.263 119.800 0.250 0.000 2.472 105 Q HA -0.128 4.368 4.340 0.259 0.000 0.208 105 Q C 0.096 176.245 176.000 0.248 0.000 0.958 105 Q CA 0.177 56.122 55.803 0.237 0.000 0.932 105 Q CB 0.283 29.099 28.738 0.131 0.000 1.007 105 Q HN 0.326 8.707 8.270 0.185 0.000 0.508 106 G N -0.661 108.249 108.800 0.183 0.000 2.719 106 G HA2 -0.265 3.678 3.960 -0.364 0.000 0.686 106 G HA3 -0.265 3.453 3.960 -0.403 0.000 0.686 106 G C -1.457 173.404 174.900 -0.064 0.000 1.201 106 G CA -0.552 44.431 45.100 -0.195 0.000 0.768 106 G HN -0.463 7.917 8.290 0.242 0.055 0.629 107 T N 3.492 118.016 114.554 -0.050 0.000 2.864 107 T HA 0.222 4.583 4.350 0.019 0.000 0.299 107 T C -1.151 173.589 174.700 0.067 0.000 1.011 107 T CA -0.496 61.628 62.100 0.039 0.000 0.975 107 T CB 2.313 71.246 68.868 0.108 0.000 0.962 107 T HN 0.149 8.337 8.240 -0.087 0.000 0.448 108 L N 9.905 131.142 121.223 0.024 0.000 2.325 108 L HA 0.229 4.781 4.340 0.064 -0.173 0.284 108 L C -1.715 175.191 176.870 0.060 0.000 1.089 108 L CA -0.355 54.508 54.840 0.039 0.000 0.836 108 L CB 0.662 42.713 42.059 -0.014 0.000 1.184 108 L HN 0.565 8.794 8.230 -0.002 0.000 0.444 109 V N 9.554 129.559 119.914 0.151 0.000 2.370 109 V HA 0.371 4.695 4.120 0.036 -0.182 0.279 109 V C -0.771 175.382 176.094 0.098 0.000 1.029 109 V CA -1.030 61.330 62.300 0.100 0.000 0.870 109 V CB 1.168 33.038 31.823 0.079 0.000 0.984 109 V HN 0.311 8.660 8.190 0.264 0.000 0.451 110 T N 10.115 124.691 114.554 0.036 0.000 2.770 110 T HA 0.189 4.581 4.350 0.070 0.000 0.283 110 T C -1.393 173.349 174.700 0.071 0.000 0.988 110 T CA -0.467 61.657 62.100 0.041 0.000 0.957 110 T CB 0.987 69.825 68.868 -0.049 0.000 0.930 110 T HN 0.337 8.581 8.240 0.007 0.000 0.443 111 V N 9.483 129.459 119.914 0.102 0.000 2.348 111 V HA 0.599 5.000 4.120 0.091 -0.226 0.270 111 V C -0.792 175.384 176.094 0.137 0.000 1.037 111 V CA -0.845 61.518 62.300 0.104 0.000 0.872 111 V CB -0.009 31.871 31.823 0.094 0.000 1.002 111 V HN 0.174 8.430 8.190 0.111 0.000 0.464 112 S N 7.805 123.599 115.700 0.156 0.000 2.552 112 S HA 0.299 4.861 4.470 0.153 0.000 0.272 112 S C -0.280 174.411 174.600 0.152 0.000 1.150 112 S CA -0.972 57.342 58.200 0.190 0.000 0.849 112 S CB 2.210 65.626 63.200 0.361 0.000 1.113 112 S HN 0.436 8.830 8.310 0.140 0.000 0.458 113 S N 1.770 117.532 115.700 0.103 0.000 2.527 113 S HA -0.113 4.398 4.470 0.068 0.000 0.222 113 S C -0.182 174.454 174.600 0.060 0.000 0.985 113 S CA 1.175 59.415 58.200 0.067 0.000 0.921 113 S CB -0.176 63.045 63.200 0.034 0.000 0.772 113 S HN 0.418 8.782 8.310 0.089 0.000 0.529 114 A N 1.276 124.131 122.820 0.059 0.000 2.388 114 A HA 0.081 4.371 4.320 -0.051 0.000 0.257 114 A C -1.495 176.169 177.584 0.133 0.000 1.095 114 A CA -0.077 51.944 52.037 -0.027 0.000 0.791 114 A CB 0.887 19.658 19.000 -0.381 0.000 1.029 114 A HN -0.595 7.563 8.150 0.087 0.044 0.489 115 S N 1.718 117.474 115.700 0.093 0.000 2.603 115 S HA 0.051 4.622 4.470 0.169 0.000 0.268 115 S C 0.095 174.867 174.600 0.286 0.000 1.317 115 S CA -0.744 57.551 58.200 0.159 0.000 1.012 115 S CB 0.854 64.111 63.200 0.095 0.000 0.926 115 S HN -0.247 8.082 8.310 0.031 0.000 0.539 116 T N 1.902 116.620 114.554 0.273 0.000 2.898 116 T HA -0.127 4.660 4.350 0.483 -0.147 0.301 116 T C -0.800 174.075 174.700 0.293 0.000 1.049 116 T CA 0.739 63.040 62.100 0.336 0.000 1.095 116 T CB 0.804 69.802 68.868 0.216 0.000 0.976 116 T HN -0.006 8.357 8.240 0.205 0.000 0.539 117 K N 6.712 127.326 120.400 0.355 0.000 2.565 117 K HA 0.326 4.760 4.320 0.190 0.000 0.249 117 K C -1.616 175.116 176.600 0.219 0.000 0.958 117 K CA -0.953 55.480 56.287 0.243 0.000 0.806 117 K CB 3.390 36.011 32.500 0.201 0.000 1.194 117 K HN 0.408 8.933 8.250 0.458 0.000 0.434 118 G N 3.916 112.812 108.800 0.160 0.000 2.539 118 G HA2 0.299 4.311 3.960 0.086 0.000 0.258 118 G HA3 0.299 4.324 3.960 0.108 0.000 0.258 118 G C -1.432 173.466 174.900 -0.003 0.000 1.202 118 G CA -1.996 43.156 45.100 0.087 0.000 0.851 118 G HN 0.368 8.746 8.290 0.147 0.000 0.556 119 P HA 0.194 4.791 4.420 0.056 -0.143 0.279 119 P C -1.349 175.896 177.300 -0.093 0.000 1.252 119 P CA -1.061 62.009 63.100 -0.049 0.000 0.811 119 P CB 1.819 33.422 31.700 -0.163 0.000 1.035 120 S N 0.785 116.410 115.700 -0.124 0.000 2.541 120 S HA 0.316 4.603 4.470 -0.306 0.000 0.283 120 S C -1.229 173.036 174.600 -0.557 0.000 1.196 120 S CA -0.003 57.988 58.200 -0.349 0.000 1.062 120 S CB 1.233 64.229 63.200 -0.340 0.000 1.009 120 S HN -0.020 8.257 8.310 -0.055 0.000 0.502 121 V N 3.181 122.697 119.914 -0.664 0.000 2.444 121 V HA 0.528 4.604 4.120 -0.386 -0.188 0.294 121 V C -1.242 174.502 176.094 -0.582 0.000 1.022 121 V CA -1.093 60.913 62.300 -0.490 0.000 0.850 121 V CB 1.472 33.147 31.823 -0.246 0.000 0.992 121 V HN 0.190 8.015 8.190 -0.607 0.000 0.426 122 F N 5.912 125.886 119.950 0.039 0.000 2.546 122 F HA 0.577 5.128 4.527 0.041 0.000 0.320 122 F C -2.511 173.327 175.800 0.064 0.000 1.076 122 F CA -3.682 54.346 58.000 0.047 0.000 0.928 122 F CB 2.131 41.158 39.000 0.047 0.000 1.189 122 F HN 0.423 8.693 8.300 -0.051 0.000 0.465 123 P HA 0.164 4.704 4.420 0.201 0.000 0.278 123 P C -1.317 176.096 177.300 0.188 0.000 1.238 123 P CA -0.604 62.617 63.100 0.202 0.000 0.794 123 P CB 0.782 32.583 31.700 0.169 0.000 0.955 124 L N 2.948 124.282 121.223 0.184 0.000 2.335 124 L HA 0.239 4.649 4.340 0.116 0.000 0.268 124 L C -0.876 176.065 176.870 0.118 0.000 1.037 124 L CA -1.455 53.468 54.840 0.139 0.000 0.895 124 L CB 0.043 42.189 42.059 0.145 0.000 1.266 124 L HN 0.216 8.478 8.230 0.215 0.098 0.439 125 A N 4.655 127.532 122.820 0.096 0.000 2.462 125 A HA 0.093 4.473 4.320 0.099 0.000 0.243 125 A C -1.459 176.157 177.584 0.052 0.000 1.076 125 A CA -1.975 50.111 52.037 0.082 0.000 0.773 125 A CB -1.043 18.000 19.000 0.073 0.000 1.010 125 A HN 0.249 8.453 8.150 0.089 0.000 0.493 126 P HA 0.207 4.787 4.420 0.000 -0.160 0.271 126 P C -1.208 176.105 177.300 0.021 0.000 1.218 126 P CA -0.172 62.936 63.100 0.013 0.000 0.780 126 P CB 0.772 32.473 31.700 0.001 0.000 0.901 127 S N 0.946 116.653 115.700 0.012 0.000 2.703 127 S HA 0.254 4.735 4.470 0.017 0.000 0.273 127 S C 0.913 175.517 174.600 0.008 0.000 1.178 127 S CA -1.006 57.202 58.200 0.014 0.000 0.838 127 S CB 1.994 65.204 63.200 0.016 0.000 1.178 127 S HN -0.189 8.124 8.310 0.005 0.000 0.494 128 S N -0.398 115.307 115.700 0.008 0.000 2.469 128 S HA -0.133 4.339 4.470 0.004 0.000 0.238 128 S C 1.161 175.763 174.600 0.003 0.000 0.998 128 S CA 2.109 60.312 58.200 0.005 0.000 0.957 128 S CB -0.383 62.821 63.200 0.006 0.000 0.764 128 S HN 0.462 8.778 8.310 0.010 0.000 0.514 129 K N -0.102 120.301 120.400 0.004 0.000 2.404 129 K HA 0.133 4.455 4.320 0.002 0.000 0.194 129 K C 0.250 176.852 176.600 0.002 0.000 1.023 129 K CA -0.010 56.279 56.287 0.003 0.000 1.094 129 K CB -0.037 32.465 32.500 0.004 0.000 0.841 129 K HN -0.250 7.959 8.250 0.006 0.045 0.523 130 S N -1.953 113.748 115.700 0.001 0.000 2.730 130 S HA 0.239 4.708 4.470 -0.001 0.000 0.244 130 S C -0.635 173.958 174.600 -0.011 0.000 1.022 130 S CA -0.587 57.611 58.200 -0.004 0.000 1.014 130 S CB 0.873 64.070 63.200 -0.005 0.000 0.963 130 S HN -0.338 7.813 8.310 0.001 0.159 0.540 131 T N -0.365 114.184 114.554 -0.008 0.000 2.922 131 T HA 0.491 5.013 4.350 -0.017 -0.182 0.285 131 T C -0.230 174.465 174.700 -0.008 0.000 1.005 131 T CA -1.083 61.011 62.100 -0.010 0.000 1.061 131 T CB 1.731 70.596 68.868 -0.006 0.000 1.007 131 T HN -0.835 7.402 8.240 -0.004 0.000 0.502 132 S N 2.719 118.413 115.700 -0.010 0.000 2.706 132 S HA 0.116 4.584 4.470 -0.004 0.000 0.270 132 S C 0.363 174.958 174.600 -0.008 0.000 1.163 132 S CA 0.205 58.401 58.200 -0.006 0.000 1.042 132 S CB 1.329 64.526 63.200 -0.004 0.000 1.079 132 S HN 0.342 8.644 8.310 -0.014 0.000 0.474 133 G N 7.371 116.168 108.800 -0.005 0.000 2.395 133 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.300 133 G HA3 -0.318 3.639 3.960 -0.004 0.000 0.300 133 G C -0.093 174.803 174.900 -0.006 0.000 0.998 133 G CA 0.895 45.992 45.100 -0.005 0.000 1.046 133 G HN 0.666 8.953 8.290 -0.004 0.000 0.513 134 G N -3.654 105.142 108.800 -0.007 0.000 2.175 134 G HA2 -0.413 3.544 3.960 -0.004 0.000 0.244 134 G HA3 -0.413 3.544 3.960 -0.006 0.000 0.244 134 G C -0.581 174.311 174.900 -0.013 0.000 0.982 134 G CA -0.311 44.785 45.100 -0.007 0.000 0.641 134 G HN 0.311 8.597 8.290 -0.006 0.000 0.527 135 T N -1.711 112.831 114.554 -0.020 0.000 2.950 135 T HA 0.794 5.242 4.350 -0.037 -0.120 0.288 135 T C -2.055 172.622 174.700 -0.040 0.000 1.035 135 T CA -2.679 59.400 62.100 -0.035 0.000 1.028 135 T CB 2.856 71.699 68.868 -0.042 0.000 1.109 135 T HN -0.424 7.641 8.240 -0.017 0.164 0.514 136 A N -0.256 122.525 122.820 -0.065 0.000 2.422 136 A HA 0.705 5.161 4.320 -0.048 -0.166 0.302 136 A C -2.548 174.968 177.584 -0.113 0.000 1.041 136 A CA -1.561 50.434 52.037 -0.069 0.000 0.708 136 A CB 3.576 22.541 19.000 -0.059 0.000 1.257 136 A HN 0.479 8.578 8.150 -0.085 0.000 0.414 137 A N 2.696 125.464 122.820 -0.086 0.000 2.303 137 A HA 1.111 5.524 4.320 -0.156 -0.187 0.317 137 A C -1.679 175.844 177.584 -0.103 0.000 1.149 137 A CA -2.212 49.762 52.037 -0.104 0.000 0.822 137 A CB 2.059 21.035 19.000 -0.040 0.000 1.131 137 A HN 0.264 8.380 8.150 -0.057 0.000 0.493 138 L N -5.351 115.780 121.223 -0.154 0.000 2.630 138 L HA 0.961 5.391 4.340 -0.018 -0.100 0.258 138 L C -1.300 175.533 176.870 -0.061 0.000 1.072 138 L CA -1.020 53.765 54.840 -0.091 0.000 0.885 138 L CB 3.479 45.462 42.059 -0.126 0.000 1.502 138 L HN 0.045 8.144 8.230 -0.218 0.000 0.406 139 G N -3.775 105.113 108.800 0.147 0.000 2.489 139 G HA2 0.479 4.774 3.960 0.503 0.000 0.305 139 G HA3 0.479 4.670 3.960 0.303 -0.050 0.305 139 G C -2.452 172.737 174.900 0.481 0.000 1.311 139 G CA 0.487 45.815 45.100 0.380 0.000 0.813 139 G HN -0.229 8.169 8.290 0.181 0.000 0.480 140 c N -0.751 118.113 118.600 0.440 0.000 2.547 140 c HA 0.828 5.694 4.570 0.224 -0.162 0.313 140 c C -1.909 172.306 174.090 0.208 0.000 1.191 140 c CA 0.124 56.598 56.329 0.241 0.000 1.474 140 c CB 3.475 46.021 42.510 0.061 0.000 2.081 140 c HN 0.464 8.992 8.230 0.496 0.000 0.476 141 L N 4.116 125.455 121.223 0.192 0.000 2.272 141 L HA 0.515 4.968 4.340 0.188 0.000 0.289 141 L C -2.231 174.727 176.870 0.147 0.000 1.032 141 L CA -1.158 53.801 54.840 0.198 0.000 0.810 141 L CB 2.558 44.767 42.059 0.251 0.000 1.205 141 L HN 0.597 8.951 8.230 0.207 0.000 0.422 142 V N 8.270 128.266 119.914 0.137 0.000 2.313 142 V HA 0.356 4.630 4.120 -0.004 -0.157 0.278 142 V C -1.755 174.469 176.094 0.217 0.000 1.017 142 V CA -1.059 61.295 62.300 0.090 0.000 0.823 142 V CB 0.545 32.391 31.823 0.039 0.000 1.010 142 V HN 0.976 9.267 8.190 0.168 0.000 0.443 143 K N 7.122 127.623 120.400 0.168 0.000 2.156 143 K HA 0.238 4.683 4.320 0.207 0.000 0.254 143 K C -1.391 175.325 176.600 0.193 0.000 0.950 143 K CA -1.504 54.907 56.287 0.206 0.000 0.849 143 K CB 2.950 35.613 32.500 0.271 0.000 1.100 143 K HN 0.556 8.843 8.250 0.062 0.000 0.434 144 D N 1.171 121.642 120.400 0.119 0.000 2.828 144 D HA -0.366 4.277 4.640 0.005 0.000 0.241 144 D C -1.969 174.398 176.300 0.113 0.000 1.142 144 D CA 1.628 55.668 54.000 0.067 0.000 0.755 144 D CB -1.944 38.905 40.800 0.081 0.000 1.014 144 D HN 0.007 8.424 8.370 0.078 0.000 0.420 145 Y N -7.105 113.226 120.300 0.052 0.000 2.598 145 Y HA 0.749 5.412 4.550 -0.027 -0.129 0.340 145 Y C -2.638 173.407 175.900 0.241 0.000 1.038 145 Y CA -2.928 55.160 58.100 -0.020 0.000 1.100 145 Y CB 2.905 41.145 38.460 -0.367 0.000 1.281 145 Y HN -0.371 7.757 8.280 -0.253 0.000 0.488 146 F N -1.353 118.747 119.950 0.250 0.000 2.650 146 F HA 0.492 5.267 4.527 0.413 0.000 0.310 146 F C -2.890 173.170 175.800 0.434 0.000 1.112 146 F CA -2.138 56.063 58.000 0.335 0.000 0.986 146 F CB 4.063 43.181 39.000 0.197 0.000 1.285 146 F HN 0.352 8.908 8.300 0.428 0.000 0.440 147 P HA 0.159 3.692 4.420 -1.479 0.000 0.302 147 P C -1.690 175.566 177.300 -0.072 0.000 1.307 147 P CA -1.249 61.309 63.100 -0.902 0.000 0.754 147 P CB 1.514 32.660 31.700 -0.923 0.000 1.298 148 E N -2.256 117.790 120.200 -0.256 0.000 2.409 148 E HA 0.128 4.568 4.350 0.150 0.000 0.257 148 E C -1.804 174.767 176.600 -0.048 0.000 1.150 148 E CA -1.021 55.316 56.400 -0.104 0.000 0.942 148 E CB 0.127 29.633 29.700 -0.324 0.000 0.979 148 E HN 0.188 8.290 8.360 -0.430 0.000 0.447 149 P HA 0.282 4.728 4.420 0.045 0.000 0.289 149 P C -2.024 175.293 177.300 0.028 0.000 1.302 149 P CA -1.398 61.715 63.100 0.022 0.000 0.923 149 P CB 2.126 33.815 31.700 -0.018 0.000 1.238 150 V N 0.201 120.064 119.914 -0.084 0.000 2.483 150 V HA 0.557 4.766 4.120 -0.147 -0.177 0.295 150 V C 0.139 176.173 176.094 -0.099 0.000 1.035 150 V CA -1.757 60.418 62.300 -0.209 0.000 0.896 150 V CB 2.415 33.887 31.823 -0.586 0.000 0.986 150 V HN 0.252 8.416 8.190 -0.044 0.000 0.447 151 T N 5.670 120.171 114.554 -0.087 0.000 2.888 151 T HA 0.354 4.683 4.350 -0.036 0.000 0.284 151 T C -1.649 173.000 174.700 -0.085 0.000 1.017 151 T CA -1.703 60.362 62.100 -0.058 0.000 1.022 151 T CB 1.638 70.481 68.868 -0.041 0.000 1.013 151 T HN 0.498 8.682 8.240 -0.093 0.000 0.465 152 V N 3.897 123.770 119.914 -0.069 0.000 2.638 152 V HA 0.701 4.936 4.120 -0.180 -0.222 0.306 152 V C -0.444 175.585 176.094 -0.109 0.000 1.052 152 V CA -1.377 60.844 62.300 -0.132 0.000 0.885 152 V CB 3.101 34.849 31.823 -0.124 0.000 0.999 152 V HN 0.227 8.396 8.190 -0.035 0.000 0.424 153 S N 5.269 120.862 115.700 -0.179 0.000 2.677 153 S HA 0.503 4.984 4.470 0.018 0.000 0.304 153 S C -1.217 173.224 174.600 -0.265 0.000 1.108 153 S CA -1.391 56.754 58.200 -0.092 0.000 0.944 153 S CB 2.804 65.989 63.200 -0.026 0.000 1.127 153 S HN 0.180 8.358 8.310 -0.220 0.000 0.511 154 W N -1.763 119.553 121.300 0.026 0.000 2.656 154 W HA 0.481 5.353 4.660 0.055 -0.179 0.327 154 W C -0.215 176.335 176.519 0.052 0.000 1.041 154 W CA -0.711 56.664 57.345 0.050 0.000 1.229 154 W CB 2.778 32.273 29.460 0.058 0.000 1.397 154 W HN 0.258 8.603 8.180 0.276 0.000 0.479 155 N N 3.321 122.177 118.700 0.259 0.000 2.714 155 N HA -0.387 4.425 4.740 0.120 0.000 0.252 155 N C -0.601 174.963 175.510 0.092 0.000 1.014 155 N CA 0.958 54.104 53.050 0.160 0.000 0.735 155 N CB -1.517 37.079 38.487 0.181 0.000 0.924 155 N HN 0.758 9.287 8.380 0.248 0.000 0.540 156 S N -6.375 109.356 115.700 0.051 0.000 3.521 156 S HA -0.375 4.098 4.470 0.004 0.000 0.328 156 S C 0.821 175.443 174.600 0.038 0.000 1.165 156 S CA 1.505 59.719 58.200 0.024 0.000 0.941 156 S CB -1.609 61.600 63.200 0.015 0.000 0.951 156 S HN 0.460 8.785 8.310 0.033 0.005 0.539 157 G N -3.346 105.494 108.800 0.066 0.000 2.176 157 G HA2 -0.407 3.599 3.960 0.078 0.000 0.232 157 G HA3 -0.407 3.581 3.960 0.047 0.000 0.232 157 G C -0.132 174.811 174.900 0.072 0.000 0.986 157 G CA -0.002 45.138 45.100 0.066 0.000 0.643 157 G HN -0.194 8.007 8.290 0.090 0.143 0.522 158 A N 0.263 123.131 122.820 0.080 0.000 2.178 158 A HA 0.058 4.410 4.320 0.052 0.000 0.211 158 A C -0.461 177.173 177.584 0.083 0.000 1.157 158 A CA 0.418 52.495 52.037 0.067 0.000 0.780 158 A CB 0.675 19.708 19.000 0.055 0.000 0.828 158 A HN -0.322 7.727 8.150 0.086 0.153 0.476 159 L N -0.802 120.497 121.223 0.127 0.000 2.318 159 L HA 0.330 4.721 4.340 0.085 0.000 0.277 159 L C -1.528 175.405 176.870 0.106 0.000 1.008 159 L CA -0.218 54.696 54.840 0.124 0.000 0.846 159 L CB 0.995 43.173 42.059 0.198 0.000 1.220 159 L HN -0.932 7.353 8.230 0.156 0.039 0.423 160 T N 0.611 115.189 114.554 0.040 0.000 3.010 160 T HA 0.092 4.469 4.350 0.045 0.000 0.252 160 T C 0.243 174.913 174.700 -0.051 0.000 0.963 160 T CA -0.241 61.869 62.100 0.016 0.000 0.952 160 T CB 0.721 69.601 68.868 0.020 0.000 1.182 160 T HN 0.031 8.286 8.240 0.024 0.000 0.495 161 S N 2.951 118.616 115.700 -0.058 0.000 2.537 161 S HA -0.154 4.261 4.470 -0.092 0.000 0.286 161 S C 1.143 175.647 174.600 -0.160 0.000 1.299 161 S CA 1.443 59.587 58.200 -0.092 0.000 1.067 161 S CB -0.093 63.069 63.200 -0.063 0.000 0.864 161 S HN -0.123 8.166 8.310 -0.036 0.000 0.494 162 G N 4.986 113.658 108.800 -0.213 0.000 2.155 162 G HA2 -0.267 3.504 3.960 -0.316 0.000 0.257 162 G HA3 -0.267 3.546 3.960 -0.246 0.000 0.257 162 G C -0.741 173.898 174.900 -0.436 0.000 0.983 162 G CA 0.231 45.150 45.100 -0.300 0.000 0.676 162 G HN 0.302 8.472 8.290 -0.199 0.000 0.528 163 V N 0.922 120.598 119.914 -0.397 0.000 2.546 163 V HA 0.183 4.272 4.120 -0.368 -0.189 0.284 163 V C -0.175 175.641 176.094 -0.463 0.000 1.050 163 V CA -0.209 61.882 62.300 -0.348 0.000 0.981 163 V CB 1.039 32.787 31.823 -0.124 0.000 0.990 163 V HN -0.840 7.113 8.190 -0.307 0.053 0.474 164 H N 8.346 127.342 119.070 -0.123 0.000 2.727 164 H HA 0.372 4.764 4.556 -0.272 0.000 0.330 164 H C -1.405 173.758 175.328 -0.275 0.000 0.986 164 H CA -1.476 54.398 56.048 -0.289 0.000 1.251 164 H CB 2.454 31.928 29.762 -0.480 0.000 1.493 164 H HN 0.449 8.662 8.280 -0.111 0.000 0.515 165 T N 5.913 120.411 114.554 -0.093 0.000 2.756 165 T HA 0.251 4.818 4.350 0.151 -0.127 0.290 165 T C -0.998 173.656 174.700 -0.076 0.000 0.985 165 T CA -0.454 61.661 62.100 0.025 0.000 0.955 165 T CB 0.734 69.663 68.868 0.102 0.000 0.930 165 T HN 0.217 8.411 8.240 -0.076 0.000 0.451 166 F N 8.572 128.602 119.950 0.134 0.000 2.382 166 F HA 0.177 4.757 4.527 0.090 0.000 0.331 166 F C -1.835 174.024 175.800 0.099 0.000 1.121 166 F CA -1.802 56.259 58.000 0.103 0.000 1.183 166 F CB -0.100 38.956 39.000 0.092 0.000 1.207 166 F HN 0.132 8.712 8.300 0.466 0.000 0.555 167 P HA -0.104 4.406 4.420 0.151 0.000 0.266 167 P C -1.465 175.961 177.300 0.211 0.000 1.195 167 P CA 0.003 63.215 63.100 0.187 0.000 0.768 167 P CB 0.020 31.809 31.700 0.150 0.000 0.838 168 A N 1.782 124.715 122.820 0.190 0.000 2.425 168 A HA 0.062 4.684 4.320 0.241 -0.157 0.242 168 A C -0.048 177.669 177.584 0.221 0.000 1.077 168 A CA -0.471 51.700 52.037 0.223 0.000 0.781 168 A CB 0.979 20.103 19.000 0.206 0.000 1.020 168 A HN 0.150 8.395 8.150 0.158 0.000 0.494 169 V N -3.222 116.814 119.914 0.204 0.000 2.667 169 V HA 0.423 4.636 4.120 0.155 0.000 0.308 169 V C -1.364 174.798 176.094 0.115 0.000 1.048 169 V CA -2.072 60.317 62.300 0.148 0.000 0.928 169 V CB 2.385 34.254 31.823 0.076 0.000 1.004 169 V HN 0.338 8.640 8.190 0.187 0.000 0.444 170 L N 4.480 125.717 121.223 0.023 0.000 2.278 170 L HA 0.199 4.269 4.340 -0.449 0.000 0.287 170 L C 0.030 176.808 176.870 -0.154 0.000 1.072 170 L CA -0.324 54.397 54.840 -0.198 0.000 0.819 170 L CB -0.118 41.853 42.059 -0.146 0.000 1.176 170 L HN 0.235 8.496 8.230 0.052 0.000 0.435 171 Q N 6.349 126.028 119.800 -0.201 0.000 2.318 171 Q HA 0.192 4.480 4.340 -0.088 0.000 0.222 171 Q C 1.293 177.216 176.000 -0.127 0.000 1.003 171 Q CA -0.980 54.746 55.803 -0.127 0.000 0.936 171 Q CB 0.980 29.651 28.738 -0.112 0.000 1.204 171 Q HN 0.450 8.551 8.270 -0.281 0.000 0.524 172 S N 1.475 117.123 115.700 -0.087 0.000 2.419 172 S HA -0.229 4.196 4.470 -0.075 0.000 0.233 172 S C 0.542 175.087 174.600 -0.093 0.000 1.016 172 S CA 2.008 60.162 58.200 -0.077 0.000 0.974 172 S CB -0.283 62.885 63.200 -0.053 0.000 0.786 172 S HN 0.458 8.726 8.310 -0.070 0.000 0.492 173 S N -1.084 114.554 115.700 -0.102 0.000 2.515 173 S HA -0.069 4.344 4.470 -0.095 0.000 0.231 173 S C 0.477 174.980 174.600 -0.161 0.000 0.987 173 S CA 0.385 58.519 58.200 -0.111 0.000 0.936 173 S CB 0.247 63.391 63.200 -0.092 0.000 0.766 173 S HN -0.198 8.029 8.310 -0.097 0.025 0.528 174 G N 1.308 109.988 108.800 -0.200 0.000 2.175 174 G HA2 -0.354 3.444 3.960 -0.270 0.000 0.244 174 G HA3 -0.354 3.447 3.960 -0.266 0.000 0.244 174 G C -1.153 173.548 174.900 -0.332 0.000 0.982 174 G CA 0.243 45.181 45.100 -0.269 0.000 0.641 174 G HN -0.371 7.638 8.290 -0.192 0.166 0.527 175 L N -1.667 119.399 121.223 -0.261 0.000 2.468 175 L HA 0.198 4.591 4.340 -0.055 -0.086 0.254 175 L C -0.944 175.684 176.870 -0.403 0.000 1.171 175 L CA -0.206 54.517 54.840 -0.195 0.000 0.809 175 L CB 0.756 42.761 42.059 -0.090 0.000 1.155 175 L HN -0.912 7.123 8.230 -0.214 0.067 0.473 176 Y N -2.976 117.123 120.300 -0.335 0.000 2.549 176 Y HA 0.806 5.391 4.550 -0.266 -0.194 0.339 176 Y C -0.361 175.192 175.900 -0.578 0.000 1.053 176 Y CA -1.582 56.214 58.100 -0.507 0.000 1.105 176 Y CB 3.722 41.712 38.460 -0.783 0.000 1.258 176 Y HN 0.396 8.523 8.280 -0.254 0.000 0.478 177 S N -0.580 115.081 115.700 -0.065 0.000 2.588 177 S HA 1.005 5.740 4.470 0.210 -0.138 0.275 177 S C -1.932 172.812 174.600 0.239 0.000 1.130 177 S CA -2.202 56.070 58.200 0.120 0.000 0.855 177 S CB 2.481 65.744 63.200 0.106 0.000 1.116 177 S HN 0.184 8.512 8.310 0.030 0.000 0.472 178 L N -2.513 118.899 121.223 0.315 0.000 2.479 178 L HA 0.538 5.017 4.340 0.232 0.000 0.255 178 L C -2.500 174.512 176.870 0.236 0.000 1.026 178 L CA -0.536 54.467 54.840 0.272 0.000 0.842 178 L CB 3.593 45.836 42.059 0.307 0.000 1.444 178 L HN 0.506 8.945 8.230 0.348 0.000 0.409 179 S N -0.922 114.935 115.700 0.262 0.000 2.568 179 S HA 0.764 5.533 4.470 0.241 -0.154 0.293 179 S C -1.195 173.669 174.600 0.439 0.000 1.089 179 S CA -0.911 57.459 58.200 0.283 0.000 0.945 179 S CB 2.972 66.275 63.200 0.171 0.000 1.077 179 S HN 0.270 8.762 8.310 0.302 0.000 0.485 180 S N 1.872 117.820 115.700 0.414 0.000 2.571 180 S HA 0.889 5.828 4.470 0.475 -0.184 0.284 180 S C -2.025 172.903 174.600 0.546 0.000 1.128 180 S CA -1.651 56.840 58.200 0.486 0.000 0.970 180 S CB 1.467 64.931 63.200 0.440 0.000 1.039 180 S HN 0.241 8.771 8.310 0.365 0.000 0.485 181 V N 1.049 121.210 119.914 0.410 0.000 3.102 181 V HA 1.121 5.476 4.120 0.151 -0.144 0.312 181 V C -2.901 173.087 176.094 -0.176 0.000 1.135 181 V CA -3.274 59.125 62.300 0.166 0.000 1.022 181 V CB 4.039 35.999 31.823 0.227 0.000 1.056 181 V HN 0.668 9.082 8.190 0.374 0.000 0.436 182 V N -0.301 119.351 119.914 -0.436 0.000 2.932 182 V HA 0.664 4.751 4.120 -0.443 -0.232 0.307 182 V C -1.849 173.993 176.094 -0.421 0.000 1.147 182 V CA -2.640 59.320 62.300 -0.565 0.000 0.951 182 V CB 3.771 34.985 31.823 -1.014 0.000 1.031 182 V HN 0.422 8.369 8.190 -0.405 0.000 0.426 183 T N 8.795 123.157 114.554 -0.319 0.000 2.795 183 T HA 0.614 5.003 4.350 -0.233 -0.179 0.282 183 T C -0.601 173.942 174.700 -0.261 0.000 0.980 183 T CA -0.076 61.881 62.100 -0.238 0.000 1.012 183 T CB 0.728 69.513 68.868 -0.137 0.000 0.936 183 T HN -0.318 7.737 8.240 -0.308 0.000 0.457 184 V N 0.297 120.055 119.914 -0.260 0.000 3.160 184 V HA 0.802 4.818 4.120 -0.173 0.000 0.310 184 V C -3.018 173.011 176.094 -0.108 0.000 1.181 184 V CA -4.426 57.741 62.300 -0.221 0.000 1.047 184 V CB 1.988 33.557 31.823 -0.422 0.000 1.068 184 V HN 0.543 8.587 8.190 -0.244 0.000 0.441 185 P HA 0.204 4.613 4.420 -0.019 0.000 0.271 185 P C -0.048 177.254 177.300 0.004 0.000 1.216 185 P CA -0.016 63.079 63.100 -0.008 0.000 0.771 185 P CB 0.423 32.134 31.700 0.019 0.000 0.864 186 S N 4.982 120.681 115.700 -0.002 0.000 2.406 186 S HA -0.258 4.216 4.470 0.008 0.000 0.228 186 S C 2.043 176.658 174.600 0.025 0.000 1.020 186 S CA 3.131 61.336 58.200 0.008 0.000 0.965 186 S CB -0.096 63.105 63.200 0.001 0.000 0.798 186 S HN 0.325 8.630 8.310 -0.007 0.000 0.488 187 S N 0.958 116.672 115.700 0.022 0.000 2.400 187 S HA -0.210 4.272 4.470 0.020 0.000 0.232 187 S C 1.007 175.627 174.600 0.034 0.000 1.025 187 S CA 2.563 60.777 58.200 0.024 0.000 0.993 187 S CB 0.031 63.242 63.200 0.018 0.000 0.808 187 S HN 0.497 8.794 8.310 0.017 0.023 0.478 188 S N -0.539 115.192 115.700 0.051 0.000 2.602 188 S HA 0.307 4.801 4.470 0.041 0.000 0.240 188 S C 0.067 174.720 174.600 0.089 0.000 0.992 188 S CA -1.030 57.205 58.200 0.059 0.000 0.971 188 S CB 0.516 63.751 63.200 0.059 0.000 0.855 188 S HN -0.661 7.651 8.310 0.057 0.033 0.481 189 L N 1.456 122.740 121.223 0.102 0.000 2.191 189 L HA -0.298 4.182 4.340 0.234 0.000 0.212 189 L C 1.169 178.092 176.870 0.089 0.000 1.103 189 L CA 2.493 57.416 54.840 0.139 0.000 0.769 189 L CB -0.317 41.805 42.059 0.105 0.000 0.908 189 L HN -0.903 7.375 8.230 0.080 0.000 0.438 190 G N -5.300 103.532 108.800 0.053 0.000 2.448 190 G HA2 -0.150 3.831 3.960 0.035 0.000 0.218 190 G HA3 -0.150 3.826 3.960 0.027 0.000 0.218 190 G C 0.311 175.218 174.900 0.012 0.000 1.135 190 G CA 0.992 46.111 45.100 0.032 0.000 0.784 190 G HN 0.227 8.523 8.290 0.049 0.024 0.543 191 T N -2.965 111.592 114.554 0.004 0.000 2.990 191 T HA 0.002 4.342 4.350 -0.017 0.000 0.249 191 T C 0.615 175.278 174.700 -0.061 0.000 1.039 191 T CA -0.158 61.931 62.100 -0.019 0.000 1.036 191 T CB 0.896 69.758 68.868 -0.011 0.000 0.994 191 T HN -0.600 7.546 8.240 0.015 0.103 0.489 192 Q N 2.345 122.088 119.800 -0.095 0.000 2.205 192 Q HA 0.268 4.470 4.340 -0.231 0.000 0.249 192 Q C -1.060 174.707 176.000 -0.390 0.000 0.948 192 Q CA -0.896 54.745 55.803 -0.270 0.000 0.895 192 Q CB 1.312 29.833 28.738 -0.362 0.000 1.249 192 Q HN -0.487 7.754 8.270 -0.049 0.000 0.458 193 T N 2.085 116.327 114.554 -0.519 0.000 2.840 193 T HA 0.154 4.364 4.350 -0.233 0.000 0.287 193 T C -1.353 173.049 174.700 -0.497 0.000 0.991 193 T CA -0.487 61.408 62.100 -0.342 0.000 0.964 193 T CB 1.201 69.987 68.868 -0.137 0.000 0.954 193 T HN 0.049 7.954 8.240 -0.558 0.000 0.438 194 Y N 6.458 126.834 120.300 0.127 0.000 2.328 194 Y HA 0.187 5.042 4.550 0.235 -0.164 0.336 194 Y C -1.778 174.301 175.900 0.298 0.000 0.960 194 Y CA -1.165 57.074 58.100 0.231 0.000 1.134 194 Y CB 2.046 40.621 38.460 0.191 0.000 1.166 194 Y HN 0.532 8.856 8.280 0.074 0.000 0.464 195 I N 2.549 123.366 120.570 0.411 0.000 2.447 195 I HA 0.634 5.089 4.170 0.146 -0.197 0.287 195 I C -1.215 174.863 176.117 -0.065 0.000 1.023 195 I CA -1.901 59.497 61.300 0.165 0.000 1.083 195 I CB 3.462 41.501 38.000 0.064 0.000 1.245 195 I HN 0.565 9.344 8.210 0.439 -0.306 0.434 196 c N 6.708 125.029 118.600 -0.466 0.000 2.347 196 c HA 0.717 4.625 4.570 -1.357 -0.153 0.353 196 c C -0.292 173.501 174.090 -0.496 0.000 1.273 196 c CA -3.533 52.178 56.329 -1.030 0.000 1.861 196 c CB -0.115 41.565 42.510 -1.384 0.000 2.420 196 c HN 0.518 8.558 8.230 -0.316 0.000 0.542 197 N N 5.340 123.785 118.700 -0.425 0.000 2.485 197 N HA 0.440 5.319 4.740 -0.199 -0.258 0.243 197 N C -1.126 174.247 175.510 -0.229 0.000 0.987 197 N CA -0.440 52.466 53.050 -0.240 0.000 0.940 197 N CB 1.028 39.422 38.487 -0.155 0.000 1.122 197 N HN 0.504 8.586 8.380 -0.497 0.000 0.509 198 V N 5.398 125.196 119.914 -0.193 0.000 2.398 198 V HA 0.386 4.585 4.120 -0.179 -0.187 0.286 198 V C -1.649 174.371 176.094 -0.123 0.000 1.026 198 V CA -1.160 61.037 62.300 -0.171 0.000 0.868 198 V CB 1.841 33.556 31.823 -0.181 0.000 0.982 198 V HN 0.749 8.833 8.190 -0.177 0.000 0.443 199 N N 6.983 125.619 118.700 -0.107 0.000 2.354 199 N HA 0.494 5.363 4.740 -0.059 -0.164 0.287 199 N C -2.305 173.177 175.510 -0.047 0.000 1.016 199 N CA -0.941 52.067 53.050 -0.070 0.000 0.871 199 N CB 3.389 41.838 38.487 -0.064 0.000 1.299 199 N HN 0.111 8.422 8.380 -0.115 0.000 0.482 200 H N 7.841 126.823 119.070 -0.146 0.000 2.736 200 H HA 0.550 4.996 4.556 -0.183 0.000 0.271 200 H C -0.079 175.198 175.328 -0.086 0.000 1.184 200 H CA -1.764 54.191 56.048 -0.155 0.000 1.378 200 H CB 1.090 30.742 29.762 -0.183 0.000 1.428 200 H HN 0.403 8.704 8.280 0.036 0.000 0.500 201 K N 6.672 126.913 120.400 -0.265 0.000 2.147 201 K HA -0.068 4.166 4.320 -0.144 0.000 0.205 201 K C -0.052 176.380 176.600 -0.281 0.000 1.049 201 K CA 4.544 60.706 56.287 -0.209 0.000 0.936 201 K CB -1.784 30.636 32.500 -0.133 0.000 0.722 201 K HN 0.511 8.629 8.250 -0.219 0.000 0.446 202 P HA -0.096 4.319 4.420 -0.212 -0.122 0.219 202 P C -0.503 176.669 177.300 -0.213 0.000 1.146 202 P CA 2.169 65.062 63.100 -0.344 0.000 0.808 202 P CB -0.016 31.434 31.700 -0.416 0.000 0.779 203 S N -7.479 108.084 115.700 -0.228 0.000 2.554 203 S HA -0.054 4.434 4.470 0.030 0.000 0.226 203 S C -0.214 174.394 174.600 0.014 0.000 0.980 203 S CA -1.319 56.894 58.200 0.021 0.000 0.939 203 S CB 0.128 63.477 63.200 0.247 0.000 0.832 203 S HN -0.760 7.270 8.310 -0.433 0.020 0.486 204 N N 0.221 118.894 118.700 -0.044 0.000 2.727 204 N HA -0.349 4.366 4.740 -0.043 0.000 0.249 204 N C -1.314 174.196 175.510 -0.000 0.000 1.048 204 N CA 1.873 54.907 53.050 -0.026 0.000 0.714 204 N CB -2.171 36.307 38.487 -0.015 0.000 0.959 204 N HN -0.108 8.030 8.380 -0.098 0.183 0.544 205 T N 1.907 116.473 114.554 0.020 0.000 2.771 205 T HA 0.090 4.448 4.350 0.013 0.000 0.281 205 T C -1.641 173.056 174.700 -0.004 0.000 0.982 205 T CA 0.573 62.689 62.100 0.026 0.000 0.978 205 T CB 1.776 70.684 68.868 0.067 0.000 0.930 205 T HN -0.516 7.739 8.240 0.025 0.000 0.447 206 K N 7.280 127.666 120.400 -0.023 0.000 2.376 206 K HA 0.769 5.257 4.320 -0.051 -0.199 0.257 206 K C -1.070 175.498 176.600 -0.053 0.000 0.939 206 K CA -1.207 55.054 56.287 -0.043 0.000 0.809 206 K CB 2.865 35.341 32.500 -0.040 0.000 1.121 206 K HN 0.319 8.557 8.250 -0.020 0.000 0.425 207 V N 5.437 125.305 119.914 -0.076 0.000 2.588 207 V HA 0.186 4.265 4.120 -0.068 0.000 0.304 207 V C -1.943 174.091 176.094 -0.099 0.000 1.042 207 V CA -1.046 61.203 62.300 -0.084 0.000 0.877 207 V CB 3.662 35.422 31.823 -0.104 0.000 0.996 207 V HN 0.659 8.796 8.190 -0.089 0.000 0.425 208 D N 6.226 126.577 120.400 -0.080 0.000 2.414 208 D HA 0.537 5.292 4.640 -0.117 -0.184 0.232 208 D C -0.937 175.323 176.300 -0.067 0.000 1.070 208 D CA -0.829 53.120 54.000 -0.085 0.000 0.839 208 D CB 1.789 42.554 40.800 -0.058 0.000 1.079 208 D HN 0.230 8.562 8.370 -0.064 0.000 0.521 209 K N 5.214 125.563 120.400 -0.086 0.000 2.307 209 K HA 0.319 4.627 4.320 -0.020 0.000 0.263 209 K C -1.848 174.759 176.600 0.011 0.000 0.973 209 K CA -2.163 54.102 56.287 -0.038 0.000 0.846 209 K CB 1.982 34.453 32.500 -0.049 0.000 1.100 209 K HN 0.182 8.353 8.250 -0.131 0.000 0.438 210 K N 7.123 127.552 120.400 0.049 0.000 2.322 210 K HA 0.095 4.652 4.320 0.123 -0.162 0.283 210 K C -0.510 176.175 176.600 0.140 0.000 1.042 210 K CA 0.111 56.457 56.287 0.098 0.000 0.958 210 K CB 0.735 33.278 32.500 0.072 0.000 0.984 210 K HN 0.387 8.659 8.250 0.037 0.000 0.473 211 V N 6.633 126.679 119.914 0.220 0.000 2.376 211 V HA 0.199 4.432 4.120 0.188 0.000 0.287 211 V C -2.039 174.186 176.094 0.219 0.000 1.015 211 V CA -0.758 61.683 62.300 0.235 0.000 0.834 211 V CB 1.072 33.099 31.823 0.339 0.000 1.001 211 V HN 0.464 8.815 8.190 0.269 0.000 0.428 212 E N 5.234 125.528 120.200 0.157 0.000 2.392 212 E HA 0.362 4.811 4.350 0.165 0.000 0.269 212 E C -2.943 173.718 176.600 0.103 0.000 0.924 212 E CA -3.974 52.507 56.400 0.135 0.000 0.784 212 E CB 0.982 30.745 29.700 0.104 0.000 1.292 212 E HN -0.119 8.323 8.360 0.137 0.000 0.447 213 P HA -0.021 4.578 4.420 0.060 -0.143 0.269 213 P C -0.549 176.785 177.300 0.056 0.000 1.209 213 P CA -0.234 62.904 63.100 0.064 0.000 0.776 213 P CB 0.659 32.392 31.700 0.055 0.000 0.876 214 K N 2.701 123.129 120.400 0.047 0.000 2.259 214 K HA 0.392 4.738 4.320 0.043 0.000 0.249 214 K C -0.153 176.466 176.600 0.032 0.000 0.942 214 K CA -1.691 54.621 56.287 0.041 0.000 0.816 214 K CB 1.767 34.293 32.500 0.043 0.000 1.155 214 K HN 0.277 8.553 8.250 0.044 0.000 0.428 215 S N 1.220 116.937 115.700 0.028 0.000 2.565 215 S HA 0.058 4.541 4.470 0.022 0.000 0.276 215 S C 0.541 175.153 174.600 0.019 0.000 1.326 215 S CA -0.122 58.092 58.200 0.022 0.000 1.045 215 S CB 0.415 63.627 63.200 0.020 0.000 0.918 215 S HN 0.044 8.372 8.310 0.029 0.000 0.505 216 C N 0.000 119.310 119.300 0.016 0.000 2.653 216 C HA 0.000 4.468 4.460 0.014 0.000 0.325 216 C CA 0.000 59.026 59.018 0.013 0.000 1.963 216 C CB 0.000 27.747 27.740 0.011 0.000 2.134 216 C HN 0.000 8.239 8.230 0.016 0.000 0.568