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 2kwb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLIYKDIFTD DELSSDSFPM KLVDDLVYEF KGKHVVRKEG EIVLAGSNPS DATA SEQUENCE AEEGAEDDGS DEHVERGIDI VLNHKLVEMN CYEDASMFKA YIKKFMKNVI DATA SEQUENCE DHMEKNNRDK ADVDAFKKKI QGWVVSLLAK DRFKNLAFFI GERAAEGAEN DATA SEQUENCE GQVAIIEYRD VDGTEVPTLM LVKEAIIEEK CLE 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 M HA 0.000 4.471 4.480 -0.015 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 L N 4.449 125.688 121.223 0.027 0.000 2.319 2 L HA 0.389 4.883 4.340 0.028 -0.137 0.280 2 L C -1.752 175.160 176.870 0.070 0.000 1.099 2 L CA -0.823 54.048 54.840 0.052 0.000 0.828 2 L CB 2.015 44.120 42.059 0.076 0.000 1.150 2 L HN 0.557 8.805 8.230 0.030 0.000 0.442 3 I N 6.562 127.143 120.570 0.017 0.000 2.312 3 I HA 0.305 4.538 4.170 -0.169 -0.165 0.290 3 I C -0.944 175.160 176.117 -0.022 0.000 1.008 3 I CA -1.060 60.195 61.300 -0.074 0.000 1.226 3 I CB 0.319 38.265 38.000 -0.090 0.000 1.371 3 I HN 0.290 8.509 8.210 0.015 0.000 0.468 4 Y N 5.116 125.421 120.300 0.008 0.000 2.360 4 Y HA 0.819 5.536 4.550 -0.005 -0.170 0.337 4 Y C -2.170 173.711 175.900 -0.031 0.000 1.039 4 Y CA -3.375 54.722 58.100 -0.005 0.000 1.109 4 Y CB 2.103 40.565 38.460 0.003 0.000 1.201 4 Y HN 0.975 8.846 8.280 -0.682 0.000 0.458 5 K N 3.148 123.595 120.400 0.078 0.000 2.579 5 K HA 0.474 4.771 4.320 -0.038 0.000 0.250 5 K C -1.581 174.982 176.600 -0.062 0.000 0.952 5 K CA -1.485 54.791 56.287 -0.019 0.000 0.857 5 K CB 3.319 35.791 32.500 -0.048 0.000 1.123 5 K HN 0.598 8.910 8.250 0.104 0.000 0.433 6 D N 7.053 127.343 120.400 -0.183 0.000 2.358 6 D HA 0.426 5.098 4.640 -0.237 -0.173 0.244 6 D C 1.160 177.287 176.300 -0.289 0.000 1.163 6 D CA 0.683 54.454 54.000 -0.381 0.000 0.945 6 D CB 1.293 41.460 40.800 -1.055 0.000 1.152 6 D HN 0.255 8.521 8.370 -0.175 0.000 0.451 7 I N -4.262 116.204 120.570 -0.174 0.000 2.567 7 I HA -0.256 3.897 4.170 -0.028 0.000 0.257 7 I C -0.140 176.036 176.117 0.098 0.000 1.184 7 I CA 2.761 64.061 61.300 0.001 0.000 1.451 7 I CB 0.139 38.204 38.000 0.109 0.000 1.089 7 I HN 0.054 8.086 8.210 -0.129 0.099 0.441 8 F N -7.380 112.621 119.950 0.085 0.000 2.653 8 F HA 0.291 4.894 4.527 0.127 0.000 0.288 8 F C 0.702 176.553 175.800 0.086 0.000 1.121 8 F CA -0.512 57.554 58.000 0.110 0.000 1.384 8 F CB 0.474 39.565 39.000 0.152 0.000 1.115 8 F HN -0.667 7.246 8.300 -0.578 0.040 0.599 9 T N 1.068 115.384 114.554 -0.397 0.000 3.272 9 T HA 0.118 4.682 4.350 0.024 -0.200 0.250 9 T C 0.500 175.150 174.700 -0.082 0.000 1.082 9 T CA 0.188 62.184 62.100 -0.173 0.000 0.968 9 T CB -0.351 68.352 68.868 -0.275 0.000 1.015 9 T HN -0.260 7.332 8.240 -0.945 0.081 0.563 10 D N -0.544 119.820 120.400 -0.060 0.000 2.354 10 D HA -0.265 4.341 4.640 -0.057 0.000 0.216 10 D C 0.201 176.496 176.300 -0.008 0.000 0.970 10 D CA 1.924 55.903 54.000 -0.034 0.000 0.905 10 D CB -0.785 40.006 40.800 -0.014 0.000 0.903 10 D HN -0.036 8.198 8.370 -0.051 0.106 0.508 11 D N 0.338 120.749 120.400 0.018 0.000 2.075 11 D HA -0.131 4.522 4.640 0.021 0.000 0.196 11 D C 0.463 176.768 176.300 0.008 0.000 0.985 11 D CA 2.514 56.530 54.000 0.026 0.000 0.834 11 D CB 0.546 41.379 40.800 0.055 0.000 0.987 11 D HN -0.064 8.269 8.370 0.035 0.059 0.452 12 E N -3.038 117.169 120.200 0.012 0.000 2.585 12 E HA 0.158 4.502 4.350 -0.009 0.000 0.206 12 E C 0.053 176.632 176.600 -0.035 0.000 1.007 12 E CA -1.541 54.860 56.400 0.001 0.000 1.028 12 E CB -0.318 29.401 29.700 0.032 0.000 1.087 12 E HN -0.516 7.859 8.360 0.025 0.000 0.455 13 L N -1.376 119.808 121.223 -0.065 0.000 2.628 13 L HA -0.205 4.062 4.340 -0.121 0.000 0.292 13 L C -1.045 175.666 176.870 -0.264 0.000 1.250 13 L CA 1.466 56.218 54.840 -0.147 0.000 0.892 13 L CB -0.350 41.631 42.059 -0.129 0.000 1.138 13 L HN -0.779 7.354 8.230 -0.049 0.068 0.502 14 S N 2.828 118.176 115.700 -0.587 0.000 2.732 14 S HA 0.402 4.682 4.470 -0.316 0.000 0.293 14 S C -2.376 171.749 174.600 -0.792 0.000 1.159 14 S CA -0.966 56.897 58.200 -0.561 0.000 0.847 14 S CB 3.634 66.640 63.200 -0.323 0.000 1.169 14 S HN -0.137 7.613 8.310 -0.933 0.000 0.501 15 S N -0.056 115.435 115.700 -0.349 0.000 2.519 15 S HA 0.829 5.394 4.470 -0.175 -0.200 0.309 15 S C -0.918 173.724 174.600 0.071 0.000 1.100 15 S CA -1.344 56.770 58.200 -0.143 0.000 1.059 15 S CB 1.963 65.110 63.200 -0.089 0.000 1.008 15 S HN 0.062 8.240 8.310 -0.220 0.000 0.478 16 D N 5.594 126.143 120.400 0.249 0.000 2.781 16 D HA 0.373 5.106 4.640 0.155 0.000 0.295 16 D C -1.995 174.368 176.300 0.104 0.000 1.143 16 D CA -0.558 53.608 54.000 0.276 0.000 1.076 16 D CB 4.709 45.906 40.800 0.661 0.000 1.444 16 D HN 0.671 9.212 8.370 0.285 0.000 0.567 17 S N -0.051 115.567 115.700 -0.137 0.000 2.389 17 S HA 0.324 4.748 4.470 -0.077 0.000 0.201 17 S C -1.084 173.179 174.600 -0.561 0.000 1.422 17 S CA 0.175 58.222 58.200 -0.256 0.000 1.216 17 S CB 0.340 63.392 63.200 -0.247 0.000 1.130 17 S HN 0.281 8.405 8.310 -0.309 0.000 0.465 18 F N 3.888 123.865 119.950 0.044 0.000 2.574 18 F HA 0.253 4.875 4.527 0.158 0.000 0.313 18 F C -2.365 173.491 175.800 0.093 0.000 1.130 18 F CA -2.783 55.271 58.000 0.090 0.000 0.936 18 F CB 1.868 40.831 39.000 -0.062 0.000 1.219 18 F HN -0.384 7.984 8.300 0.113 0.000 0.445 19 P HA 0.200 4.668 4.420 0.080 0.000 0.282 19 P C -1.926 175.504 177.300 0.216 0.000 1.249 19 P CA -0.389 62.814 63.100 0.171 0.000 0.806 19 P CB 0.685 32.445 31.700 0.099 0.000 0.984 20 M N -2.028 117.608 119.600 0.059 0.000 2.658 20 M HA 0.329 5.012 4.480 0.184 -0.092 0.295 20 M C -0.870 175.452 176.300 0.036 0.000 1.248 20 M CA -1.806 53.525 55.300 0.051 0.000 0.843 20 M CB 3.505 36.004 32.600 -0.169 0.000 1.749 20 M HN -0.324 7.958 8.290 -0.013 0.000 0.464 21 K N 0.638 121.100 120.400 0.103 0.000 2.521 21 K HA 0.293 4.665 4.320 0.087 0.000 0.248 21 K C -1.341 175.374 176.600 0.192 0.000 0.978 21 K CA -1.016 55.337 56.287 0.111 0.000 0.947 21 K CB 1.491 34.029 32.500 0.064 0.000 1.165 21 K HN 0.225 8.456 8.250 0.139 0.102 0.445 22 L N 7.776 129.143 121.223 0.241 0.000 2.515 22 L HA 0.095 4.786 4.340 0.278 -0.184 0.281 22 L C -0.570 176.359 176.870 0.098 0.000 1.131 22 L CA 0.106 55.086 54.840 0.233 0.000 0.905 22 L CB 0.099 42.309 42.059 0.251 0.000 1.246 22 L HN 0.627 8.979 8.230 0.203 0.000 0.463 23 V N 8.389 128.342 119.914 0.063 0.000 2.465 23 V HA 0.146 4.293 4.120 0.046 0.000 0.279 23 V C -0.550 175.553 176.094 0.016 0.000 1.045 23 V CA -0.733 61.592 62.300 0.041 0.000 0.938 23 V CB 1.735 33.587 31.823 0.049 0.000 0.986 23 V HN 0.776 9.006 8.190 0.067 0.000 0.467 24 D N 8.184 128.598 120.400 0.025 0.000 3.070 24 D HA -0.443 4.214 4.640 0.029 0.000 0.220 24 D C -1.079 175.232 176.300 0.017 0.000 1.176 24 D CA 1.545 55.559 54.000 0.024 0.000 0.924 24 D CB -0.370 40.447 40.800 0.029 0.000 1.124 24 D HN 0.889 9.278 8.370 0.032 0.000 0.411 25 D N -6.070 114.334 120.400 0.006 0.000 3.059 25 D HA -0.340 4.294 4.640 -0.010 0.000 0.220 25 D C -0.644 175.639 176.300 -0.029 0.000 1.169 25 D CA 1.656 55.653 54.000 -0.005 0.000 0.902 25 D CB -0.241 40.568 40.800 0.016 0.000 1.116 25 D HN -0.079 8.234 8.370 0.012 0.064 0.417 26 L N -3.824 117.361 121.223 -0.064 0.000 2.519 26 L HA 0.355 4.689 4.340 -0.010 0.000 0.194 26 L C -1.736 174.980 176.870 -0.256 0.000 1.072 26 L CA 2.107 56.887 54.840 -0.100 0.000 0.845 26 L CB 2.702 44.700 42.059 -0.101 0.000 1.138 26 L HN -0.300 7.742 8.230 -0.059 0.153 0.487 27 V N -7.690 112.061 119.914 -0.271 0.000 2.962 27 V HA 0.721 4.711 4.120 -0.422 -0.123 0.313 27 V C -1.979 174.017 176.094 -0.163 0.000 1.099 27 V CA -3.111 58.997 62.300 -0.319 0.000 0.971 27 V CB 2.463 34.079 31.823 -0.346 0.000 1.028 27 V HN -0.488 7.597 8.190 -0.174 0.000 0.430 28 Y N 1.979 122.257 120.300 -0.037 0.000 2.336 28 Y HA 0.077 4.758 4.550 0.014 -0.122 0.335 28 Y C -1.203 174.718 175.900 0.035 0.000 1.046 28 Y CA -1.260 56.843 58.100 0.005 0.000 1.198 28 Y CB -0.260 38.200 38.460 -0.001 0.000 1.182 28 Y HN 0.916 8.985 8.280 -0.184 0.101 0.502 29 E N 4.916 125.250 120.200 0.224 0.000 2.174 29 E HA 0.650 5.273 4.350 0.157 -0.179 0.282 29 E C -1.567 175.141 176.600 0.180 0.000 0.992 29 E CA -1.917 54.580 56.400 0.160 0.000 0.803 29 E CB 2.719 32.480 29.700 0.101 0.000 1.090 29 E HN 0.657 9.024 8.360 0.235 0.134 0.396 30 F N 8.157 128.107 119.950 -0.000 0.000 2.495 30 F HA 0.402 4.915 4.527 -0.024 0.000 0.327 30 F C -2.025 173.753 175.800 -0.036 0.000 1.103 30 F CA -1.699 56.279 58.000 -0.036 0.000 0.949 30 F CB 4.244 43.186 39.000 -0.097 0.000 1.142 30 F HN 0.755 9.189 8.300 0.224 0.000 0.457 31 K N 6.239 126.193 120.400 -0.743 0.000 2.258 31 K HA 0.157 4.343 4.320 -0.225 0.000 0.284 31 K C -1.392 174.944 176.600 -0.440 0.000 1.051 31 K CA -0.444 55.566 56.287 -0.463 0.000 0.923 31 K CB 0.795 33.067 32.500 -0.381 0.000 1.046 31 K HN 0.174 7.696 8.250 -1.212 0.000 0.474 32 G N 2.703 111.421 108.800 -0.137 0.000 2.644 32 G HA2 0.301 4.258 3.960 -0.005 0.000 0.307 32 G HA3 0.301 4.360 3.960 0.024 -0.085 0.307 32 G C -1.985 172.906 174.900 -0.015 0.000 1.250 32 G CA -0.939 44.144 45.100 -0.028 0.000 0.996 32 G HN -0.427 7.807 8.290 -0.093 0.000 0.489 33 K N -2.469 117.937 120.400 0.009 0.000 2.435 33 K HA 0.248 4.594 4.320 0.044 0.000 0.251 33 K C -1.783 174.839 176.600 0.037 0.000 0.954 33 K CA -1.630 54.665 56.287 0.013 0.000 0.820 33 K CB 3.338 35.817 32.500 -0.034 0.000 1.292 33 K HN -0.059 8.201 8.250 0.017 0.000 0.436 34 H N 0.995 120.060 119.070 -0.007 0.000 2.761 34 H HA 0.396 4.947 4.556 -0.008 0.000 0.284 34 H C -0.625 174.703 175.328 0.000 0.000 1.105 34 H CA -0.874 55.171 56.048 -0.005 0.000 1.352 34 H CB -0.745 29.015 29.762 -0.002 0.000 1.423 34 H HN 0.256 8.611 8.280 0.126 0.000 0.464 35 V N 0.709 120.593 119.914 -0.050 0.000 3.160 35 V HA 0.470 4.502 4.120 -0.147 0.000 0.310 35 V C -2.515 173.572 176.094 -0.013 0.000 1.181 35 V CA -2.403 59.850 62.300 -0.078 0.000 1.047 35 V CB 4.020 35.804 31.823 -0.066 0.000 1.068 35 V HN 0.325 8.525 8.190 0.015 0.000 0.441 36 V N -4.789 115.115 119.914 -0.016 0.000 2.715 36 V HA 0.659 4.921 4.120 0.003 -0.140 0.310 36 V C -0.753 175.335 176.094 -0.009 0.000 1.054 36 V CA -2.138 60.159 62.300 -0.005 0.000 0.928 36 V CB 3.258 35.079 31.823 -0.003 0.000 1.007 36 V HN -0.059 8.112 8.190 -0.032 0.000 0.437 37 R N 3.040 123.526 120.500 -0.024 0.000 2.412 37 R HA 0.280 4.620 4.340 -0.000 0.000 0.304 37 R C -2.088 174.144 176.300 -0.112 0.000 1.066 37 R CA -1.476 54.606 56.100 -0.031 0.000 0.923 37 R CB 0.812 31.107 30.300 -0.008 0.000 1.156 37 R HN -0.139 7.975 8.270 -0.033 0.136 0.513 38 K N 3.119 123.487 120.400 -0.053 0.000 2.468 38 K HA 0.320 4.512 4.320 -0.213 0.000 0.252 38 K C 0.786 177.427 176.600 0.069 0.000 0.932 38 K CA -1.378 54.874 56.287 -0.059 0.000 0.794 38 K CB 3.681 36.156 32.500 -0.042 0.000 1.241 38 K HN -0.368 7.877 8.250 -0.008 0.000 0.428 39 E N 7.168 127.480 120.200 0.187 0.000 2.267 39 E HA -0.216 4.228 4.350 0.157 0.000 0.197 39 E C 0.212 176.864 176.600 0.087 0.000 0.998 39 E CA 2.189 58.689 56.400 0.168 0.000 0.830 39 E CB -0.364 29.448 29.700 0.186 0.000 0.751 39 E HN 0.586 9.118 8.360 0.288 0.000 0.491 40 G N -1.729 107.112 108.800 0.069 0.000 4.432 40 G HA2 0.010 3.994 3.960 0.040 0.000 0.294 40 G HA3 0.010 3.995 3.960 0.042 0.000 0.294 40 G C -2.029 172.889 174.900 0.030 0.000 1.141 40 G CA -0.240 44.886 45.100 0.044 0.000 0.895 40 G HN -0.095 8.205 8.290 0.074 0.036 0.548 41 E N 0.287 120.503 120.200 0.027 0.000 2.381 41 E HA 0.115 4.474 4.350 0.016 0.000 0.286 41 E C -2.491 174.116 176.600 0.012 0.000 0.960 41 E CA 0.277 56.686 56.400 0.016 0.000 0.793 41 E CB 3.720 33.426 29.700 0.010 0.000 1.225 41 E HN -0.229 8.059 8.360 0.034 0.093 0.420 42 I N 4.817 125.392 120.570 0.009 0.000 2.714 42 I HA 0.312 4.483 4.170 0.002 0.000 0.274 42 I C -2.419 173.698 176.117 -0.000 0.000 1.261 42 I CA -0.439 60.863 61.300 0.004 0.000 1.008 42 I CB 0.656 38.660 38.000 0.007 0.000 1.289 42 I HN 0.229 8.445 8.210 0.010 0.000 0.529 43 V N 8.741 128.655 119.914 -0.001 0.000 2.357 43 V HA 0.266 4.384 4.120 -0.003 0.000 0.281 43 V C -0.681 175.411 176.094 -0.004 0.000 1.015 43 V CA -0.762 61.538 62.300 0.000 0.000 0.827 43 V CB 0.560 32.389 31.823 0.009 0.000 1.018 43 V HN 0.219 8.409 8.190 0.000 0.000 0.432 44 L N 0.770 121.975 121.223 -0.031 0.000 2.766 44 L HA 0.299 4.612 4.340 -0.045 0.000 0.242 44 L C 0.359 177.180 176.870 -0.082 0.000 1.136 44 L CA -0.165 54.624 54.840 -0.085 0.000 0.933 44 L CB -0.967 40.996 42.059 -0.160 0.000 1.241 44 L HN 0.005 8.216 8.230 -0.033 0.000 0.522 45 A N -1.088 121.728 122.820 -0.007 0.000 2.121 45 A HA -0.029 4.296 4.320 0.009 0.000 0.218 45 A C 1.139 178.789 177.584 0.110 0.000 1.154 45 A CA 0.587 52.643 52.037 0.031 0.000 0.679 45 A CB -0.412 18.599 19.000 0.020 0.000 0.795 45 A HN 0.064 8.155 8.150 -0.004 0.057 0.458 46 G N -1.308 107.573 108.800 0.134 0.000 2.515 46 G HA2 -0.172 3.833 3.960 0.074 0.000 0.290 46 G HA3 -0.172 3.855 3.960 0.110 0.000 0.290 46 G C -0.664 174.322 174.900 0.144 0.000 0.795 46 G CA 0.144 45.319 45.100 0.125 0.000 1.866 46 G HN 0.099 8.400 8.290 0.105 0.052 0.476 47 S N 4.010 119.761 115.700 0.086 0.000 3.729 47 S HA 0.069 4.506 4.470 -0.054 0.000 0.235 47 S C -0.988 173.599 174.600 -0.021 0.000 1.367 47 S CA -0.597 57.613 58.200 0.017 0.000 0.907 47 S CB -0.712 62.514 63.200 0.044 0.000 1.471 47 S HN -0.246 8.110 8.310 0.077 0.000 0.476 48 N N 2.923 121.593 118.700 -0.049 0.000 2.467 48 N HA 0.164 4.880 4.740 -0.040 0.000 0.316 48 N C -2.458 173.022 175.510 -0.051 0.000 0.649 48 N CA 0.872 53.898 53.050 -0.039 0.000 0.731 48 N CB -0.006 38.472 38.487 -0.016 0.000 2.323 48 N HN -0.287 8.045 8.380 -0.080 0.000 1.339 49 P HA 0.301 4.698 4.420 -0.039 0.000 0.286 49 P C -0.313 176.944 177.300 -0.071 0.000 1.321 49 P CA -0.409 62.665 63.100 -0.044 0.000 0.790 49 P CB 0.012 31.700 31.700 -0.019 0.000 0.897 50 S N 4.485 120.143 115.700 -0.070 0.000 2.633 50 S HA -0.048 4.354 4.470 -0.113 0.000 0.257 50 S C -0.158 174.408 174.600 -0.057 0.000 1.265 50 S CA -0.453 57.698 58.200 -0.081 0.000 0.980 50 S CB 1.091 64.247 63.200 -0.073 0.000 1.017 50 S HN -0.089 8.186 8.310 -0.059 0.000 0.577 51 A N 1.083 123.872 122.820 -0.051 0.000 1.878 51 A HA -0.005 4.304 4.320 -0.017 0.000 0.201 51 A C 0.296 177.859 177.584 -0.035 0.000 1.831 51 A CA 0.903 52.926 52.037 -0.025 0.000 1.050 51 A CB 0.392 19.394 19.000 0.002 0.000 1.063 51 A HN 0.544 8.657 8.150 -0.061 0.000 0.588 52 E N -4.527 115.643 120.200 -0.050 0.000 4.609 52 E HA -0.460 3.817 4.350 -0.121 0.000 0.178 52 E C -1.281 175.294 176.600 -0.042 0.000 1.274 52 E CA 2.606 58.950 56.400 -0.093 0.000 2.344 52 E CB -1.247 28.366 29.700 -0.144 0.000 1.833 52 E HN 0.467 8.802 8.360 -0.041 0.000 0.404 53 E N -1.355 118.838 120.200 -0.012 0.000 2.339 53 E HA 0.098 4.478 4.350 0.051 0.000 0.262 53 E C -0.114 176.528 176.600 0.069 0.000 0.934 53 E CA -1.468 54.950 56.400 0.029 0.000 0.802 53 E CB 2.218 31.923 29.700 0.008 0.000 1.275 53 E HN -0.296 7.973 8.360 -0.021 0.078 0.427 54 G N -0.779 108.087 108.800 0.111 0.000 2.713 54 G HA2 -0.006 4.066 3.960 0.188 0.000 0.170 54 G HA3 -0.006 4.253 3.960 0.202 -0.178 0.170 54 G C -1.597 173.358 174.900 0.092 0.000 1.724 54 G CA 0.418 45.611 45.100 0.156 0.000 0.892 54 G HN 0.258 8.916 8.290 0.095 -0.310 0.376 55 A N -2.719 120.146 122.820 0.076 0.000 2.681 55 A HA 0.295 4.641 4.320 0.044 0.000 0.278 55 A C -1.516 176.091 177.584 0.039 0.000 1.272 55 A CA -0.135 51.934 52.037 0.053 0.000 0.750 55 A CB 1.127 20.160 19.000 0.056 0.000 1.351 55 A HN -0.589 7.840 8.150 0.074 -0.234 0.514 56 E N -1.565 118.655 120.200 0.033 0.000 2.475 56 E HA 0.067 4.437 4.350 0.034 0.000 0.205 56 E C -0.611 176.008 176.600 0.033 0.000 0.822 56 E CA -0.250 56.168 56.400 0.030 0.000 1.240 56 E CB 0.842 30.555 29.700 0.022 0.000 1.222 56 E HN 0.028 8.407 8.360 0.031 0.000 0.581 57 D N 1.932 122.350 120.400 0.031 0.000 2.382 57 D HA 0.085 4.746 4.640 0.035 0.000 0.240 57 D C 0.576 176.903 176.300 0.046 0.000 1.146 57 D CA 0.374 54.395 54.000 0.035 0.000 0.897 57 D CB 0.713 41.530 40.800 0.028 0.000 1.197 57 D HN -0.328 8.058 8.370 0.027 0.000 0.432 58 D N 1.814 122.247 120.400 0.056 0.000 2.977 58 D HA -0.029 4.648 4.640 0.062 0.000 0.241 58 D C 0.679 177.040 176.300 0.102 0.000 1.206 58 D CA 0.036 54.077 54.000 0.068 0.000 0.902 58 D CB -1.941 38.896 40.800 0.061 0.000 1.131 58 D HN 0.333 8.734 8.370 0.052 0.000 0.447 59 G N -1.516 107.343 108.800 0.098 0.000 2.501 59 G HA2 -0.243 3.847 3.960 0.216 0.000 0.220 59 G HA3 -0.243 3.735 3.960 0.030 0.000 0.220 59 G C -1.114 173.932 174.900 0.244 0.000 1.114 59 G CA 0.458 45.644 45.100 0.143 0.000 0.757 59 G HN -0.075 8.156 8.290 0.068 0.100 0.559 60 S N -3.238 112.557 115.700 0.158 0.000 3.377 60 S HA -0.414 4.124 4.470 0.113 0.000 0.846 60 S C -0.378 174.313 174.600 0.151 0.000 1.142 60 S CA -0.382 57.904 58.200 0.143 0.000 1.051 60 S CB 0.405 63.687 63.200 0.136 0.000 0.704 60 S HN -0.786 7.526 8.310 0.122 0.071 0.286 61 D N 2.885 123.367 120.400 0.135 0.000 2.230 61 D HA -0.420 4.328 4.640 0.180 0.000 0.189 61 D C 1.682 178.070 176.300 0.146 0.000 1.006 61 D CA 3.766 57.857 54.000 0.151 0.000 0.853 61 D CB -0.167 40.712 40.800 0.133 0.000 0.959 61 D HN 0.515 8.955 8.370 0.117 0.000 0.449 62 E N -4.697 115.583 120.200 0.134 0.000 2.435 62 E HA -0.213 4.384 4.350 0.110 -0.181 0.195 62 E C -0.335 176.362 176.600 0.161 0.000 1.029 62 E CA 1.039 57.514 56.400 0.126 0.000 0.865 62 E CB -0.064 29.698 29.700 0.104 0.000 0.833 62 E HN 0.326 8.761 8.360 0.126 0.000 0.510 63 H N -1.488 117.618 119.070 0.061 0.000 2.475 63 H HA 0.244 4.829 4.556 0.047 0.000 0.276 63 H C -1.043 174.320 175.328 0.058 0.000 1.126 63 H CA -1.240 54.839 56.048 0.052 0.000 1.023 63 H CB 1.543 31.331 29.762 0.044 0.000 1.669 63 H HN -0.434 7.802 8.280 0.222 0.177 0.573 64 V N 3.195 123.101 119.914 -0.013 0.000 2.352 64 V HA -0.092 3.982 4.120 -0.077 0.000 0.253 64 V C 0.629 176.681 176.094 -0.069 0.000 1.083 64 V CA 0.046 62.325 62.300 -0.035 0.000 0.993 64 V CB -0.555 31.311 31.823 0.073 0.000 1.111 64 V HN -0.607 7.558 8.190 0.066 0.065 0.490 65 E N 6.477 126.587 120.200 -0.150 0.000 2.245 65 E HA -0.523 3.832 4.350 -0.106 -0.068 0.217 65 E C -0.307 176.278 176.600 -0.024 0.000 1.069 65 E CA 3.002 59.346 56.400 -0.094 0.000 0.877 65 E CB -0.020 29.628 29.700 -0.087 0.000 0.757 65 E HN -0.224 7.976 8.360 -0.268 0.000 0.464 66 R N -0.100 120.403 120.500 0.005 0.000 2.422 66 R HA 0.144 4.505 4.340 0.035 0.000 0.307 66 R C -1.510 174.831 176.300 0.068 0.000 1.004 66 R CA -0.718 55.404 56.100 0.037 0.000 0.882 66 R CB 1.766 32.089 30.300 0.039 0.000 1.164 66 R HN -0.568 7.669 8.270 0.003 0.035 0.489 67 G N 1.966 110.804 108.800 0.063 0.000 2.490 67 G HA2 0.318 4.339 3.960 0.102 0.000 0.308 67 G HA3 0.318 4.321 3.960 0.072 0.000 0.308 67 G C -2.942 171.971 174.900 0.022 0.000 1.286 67 G CA -0.670 44.470 45.100 0.066 0.000 0.825 67 G HN -0.100 8.220 8.290 0.050 0.000 0.479 68 I N -4.248 116.291 120.570 -0.050 0.000 2.562 68 I HA 0.885 5.203 4.170 -0.001 -0.148 0.301 68 I C -0.296 175.786 176.117 -0.059 0.000 1.003 68 I CA -2.384 58.882 61.300 -0.056 0.000 1.127 68 I CB 3.078 41.018 38.000 -0.100 0.000 1.304 68 I HN -0.218 7.922 8.210 -0.116 0.000 0.446 69 D N 5.132 125.524 120.400 -0.014 0.000 2.172 69 D HA -0.393 4.260 4.640 0.023 0.000 0.196 69 D C 2.067 178.380 176.300 0.021 0.000 0.999 69 D CA 4.261 58.274 54.000 0.021 0.000 0.856 69 D CB 0.320 41.147 40.800 0.044 0.000 0.934 69 D HN 0.471 8.726 8.370 -0.005 0.112 0.453 70 I N -3.168 117.400 120.570 -0.004 0.000 2.151 70 I HA -0.438 3.700 4.170 -0.053 0.000 0.243 70 I C 1.721 177.706 176.117 -0.221 0.000 1.080 70 I CA 3.115 64.356 61.300 -0.098 0.000 1.339 70 I CB -0.069 37.873 38.000 -0.096 0.000 1.039 70 I HN 0.074 8.265 8.210 0.000 0.019 0.409 71 V N -3.612 116.163 119.914 -0.232 0.000 2.599 71 V HA -0.151 3.876 4.120 -0.155 0.000 0.245 71 V C 1.639 177.720 176.094 -0.022 0.000 1.046 71 V CA 2.285 64.464 62.300 -0.201 0.000 1.065 71 V CB 0.065 31.570 31.823 -0.530 0.000 0.703 71 V HN -0.629 7.412 8.190 -0.249 0.000 0.464 72 L N 0.541 121.756 121.223 -0.014 0.000 2.083 72 L HA -0.214 4.339 4.340 0.075 -0.168 0.209 72 L C 2.650 179.566 176.870 0.076 0.000 1.083 72 L CA 2.823 57.692 54.840 0.049 0.000 0.752 72 L CB -0.706 41.375 42.059 0.038 0.000 0.899 72 L HN -0.120 8.073 8.230 -0.061 0.000 0.433 73 N N -3.640 115.112 118.700 0.086 0.000 2.446 73 N HA -0.088 4.729 4.740 0.128 0.000 0.179 73 N C 0.234 175.862 175.510 0.195 0.000 1.054 73 N CA 2.084 55.223 53.050 0.149 0.000 0.905 73 N CB 0.253 38.865 38.487 0.208 0.000 0.973 73 N HN -0.610 7.804 8.380 0.058 0.000 0.448 74 H N -1.041 118.040 119.070 0.019 0.000 2.652 74 H HA 0.081 4.714 4.556 0.128 0.000 0.274 74 H C -0.904 174.451 175.328 0.045 0.000 1.021 74 H CA 0.339 56.394 56.048 0.011 0.000 1.187 74 H CB 1.036 30.664 29.762 -0.224 0.000 1.505 74 H HN -0.923 7.270 8.280 0.117 0.158 0.530 75 K N -2.866 117.582 120.400 0.079 0.000 4.361 75 K HA -0.369 4.014 4.320 0.104 0.000 0.294 75 K C -2.666 174.025 176.600 0.153 0.000 0.970 75 K CA 0.694 57.033 56.287 0.086 0.000 0.913 75 K CB -2.737 29.780 32.500 0.029 0.000 1.583 75 K HN -0.283 7.965 8.250 0.097 0.061 0.438 76 L N -1.610 119.739 121.223 0.209 0.000 2.376 76 L HA 0.652 5.308 4.340 0.265 -0.157 0.275 76 L C 0.082 177.212 176.870 0.434 0.000 0.987 76 L CA -1.445 53.579 54.840 0.307 0.000 0.828 76 L CB 2.815 45.062 42.059 0.313 0.000 1.249 76 L HN -0.287 8.052 8.230 0.182 0.000 0.409 77 V N 3.349 123.438 119.914 0.292 0.000 2.644 77 V HA 0.189 4.444 4.120 0.225 0.000 0.295 77 V C -1.352 174.661 176.094 -0.134 0.000 1.053 77 V CA -2.515 59.882 62.300 0.163 0.000 0.987 77 V CB 3.556 35.430 31.823 0.085 0.000 1.006 77 V HN -0.060 8.305 8.190 0.227 -0.039 0.472 78 E N 6.556 126.493 120.200 -0.437 0.000 2.316 78 E HA -0.114 3.083 4.350 -1.922 0.000 0.275 78 E C -1.413 174.956 176.600 -0.386 0.000 1.029 78 E CA 0.356 56.183 56.400 -0.955 0.000 0.871 78 E CB 0.793 30.061 29.700 -0.722 0.000 1.022 78 E HN 0.225 8.484 8.360 -0.167 0.000 0.418 79 M N 8.750 128.166 119.600 -0.307 0.000 2.181 79 M HA 0.286 4.717 4.480 -0.083 0.000 0.323 79 M C -2.252 174.060 176.300 0.020 0.000 1.004 79 M CA -1.527 53.727 55.300 -0.077 0.000 0.941 79 M CB 2.837 35.446 32.600 0.015 0.000 1.579 79 M HN 0.739 8.661 8.290 -0.439 0.104 0.427 80 N N 5.740 124.440 118.700 0.000 0.000 2.514 80 N HA 0.153 4.959 4.740 0.110 0.000 0.277 80 N C 1.200 176.781 175.510 0.119 0.000 1.126 80 N CA 0.822 53.925 53.050 0.089 0.000 0.978 80 N CB 1.206 39.821 38.487 0.213 0.000 1.106 80 N HN 0.299 8.645 8.380 -0.056 0.000 0.461 81 C N 2.572 122.049 119.300 0.295 0.000 2.401 81 C HA -0.486 4.374 4.460 0.668 0.000 0.276 81 C C 0.809 175.953 174.990 0.257 0.000 1.233 81 C CA 5.406 64.681 59.018 0.428 0.000 1.753 81 C CB -0.207 27.761 27.740 0.379 0.000 2.029 81 C HN 0.994 9.371 8.230 0.245 0.000 0.478 82 Y N -2.614 117.781 120.300 0.159 0.000 2.256 82 Y HA -0.367 4.248 4.550 0.109 0.000 0.288 82 Y C 0.387 176.329 175.900 0.070 0.000 1.155 82 Y CA 1.837 59.997 58.100 0.101 0.000 1.203 82 Y CB -1.011 37.485 38.460 0.061 0.000 0.980 82 Y HN -0.217 8.300 8.280 0.424 0.017 0.530 83 E N -0.851 118.882 120.200 -0.777 0.000 2.201 83 E HA -0.040 4.092 4.350 -0.363 0.000 0.193 83 E C 1.404 177.839 176.600 -0.276 0.000 0.957 83 E CA 0.563 56.623 56.400 -0.567 0.000 0.858 83 E CB 1.345 30.585 29.700 -0.766 0.000 0.816 83 E HN -0.598 7.152 8.360 -0.980 0.022 0.475 84 D N 0.658 120.945 120.400 -0.187 0.000 2.350 84 D HA -0.193 4.342 4.640 -0.175 0.000 0.216 84 D C 1.369 177.547 176.300 -0.204 0.000 0.968 84 D CA 2.192 56.111 54.000 -0.135 0.000 0.894 84 D CB 0.174 40.925 40.800 -0.081 0.000 0.909 84 D HN -0.149 8.110 8.370 -0.185 0.000 0.520 85 A N -0.569 122.160 122.820 -0.151 0.000 1.909 85 A HA -0.434 3.619 4.320 -0.445 0.000 0.221 85 A C 1.781 178.898 177.584 -0.779 0.000 1.223 85 A CA 3.311 55.100 52.037 -0.413 0.000 0.658 85 A CB -0.992 17.920 19.000 -0.146 0.000 0.831 85 A HN -0.284 7.769 8.150 -0.052 0.066 0.462 86 S N -2.810 112.617 115.700 -0.455 0.000 2.383 86 S HA -0.280 3.943 4.470 -0.412 0.000 0.227 86 S C 2.077 176.393 174.600 -0.472 0.000 1.026 86 S CA 2.720 60.674 58.200 -0.410 0.000 0.981 86 S CB -0.104 62.938 63.200 -0.263 0.000 0.818 86 S HN -0.383 7.735 8.310 -0.321 0.000 0.472 87 M N 2.271 121.602 119.600 -0.448 0.000 2.062 87 M HA -0.335 3.849 4.480 -0.493 0.000 0.259 87 M C 1.379 177.410 176.300 -0.449 0.000 1.076 87 M CA 3.724 58.761 55.300 -0.439 0.000 1.122 87 M CB 0.073 32.509 32.600 -0.274 0.000 1.312 87 M HN -0.410 7.513 8.290 -0.400 0.127 0.412 88 F N -2.561 117.185 119.950 -0.339 0.000 2.171 88 F HA -0.352 4.141 4.527 -0.056 0.000 0.300 88 F C 1.371 177.064 175.800 -0.179 0.000 1.090 88 F CA 2.611 60.455 58.000 -0.260 0.000 1.293 88 F CB -1.449 37.237 39.000 -0.524 0.000 1.013 88 F HN -0.050 8.204 8.300 -0.342 -0.160 0.486 89 K N 0.720 120.625 120.400 -0.824 0.000 2.097 89 K HA -0.397 3.780 4.320 -0.239 0.000 0.206 89 K C 2.100 178.554 176.600 -0.243 0.000 1.049 89 K CA 2.590 58.590 56.287 -0.479 0.000 0.933 89 K CB -0.767 31.378 32.500 -0.592 0.000 0.717 89 K HN -0.454 6.925 8.250 -1.436 0.009 0.442 90 A N -0.856 121.775 122.820 -0.315 0.000 1.898 90 A HA -0.160 4.052 4.320 -0.179 0.000 0.216 90 A C 2.245 179.724 177.584 -0.174 0.000 1.181 90 A CA 2.939 54.821 52.037 -0.259 0.000 0.620 90 A CB -0.824 17.959 19.000 -0.363 0.000 0.819 90 A HN -0.266 7.544 8.150 -0.428 0.084 0.442 91 Y N -1.489 118.708 120.300 -0.173 0.000 2.181 91 Y HA -0.338 4.061 4.550 -0.253 0.000 0.288 91 Y C 2.527 178.367 175.900 -0.099 0.000 1.146 91 Y CA 2.444 60.393 58.100 -0.252 0.000 1.164 91 Y CB -0.621 37.558 38.460 -0.468 0.000 0.982 91 Y HN -0.145 7.932 8.280 -0.339 0.000 0.515 92 I N -1.401 119.245 120.570 0.128 0.000 2.286 92 I HA -0.518 3.786 4.170 0.223 0.000 0.248 92 I C 2.078 178.329 176.117 0.223 0.000 1.115 92 I CA 2.263 63.678 61.300 0.190 0.000 1.392 92 I CB -1.405 36.695 38.000 0.167 0.000 1.065 92 I HN 0.538 8.701 8.210 0.099 0.107 0.418 93 K N 0.947 121.415 120.400 0.113 0.000 1.985 93 K HA -0.357 4.015 4.320 0.088 0.000 0.210 93 K C 2.106 178.777 176.600 0.119 0.000 1.047 93 K CA 3.197 59.535 56.287 0.085 0.000 0.932 93 K CB -0.516 31.992 32.500 0.015 0.000 0.716 93 K HN -0.366 7.825 8.250 0.054 0.091 0.439 94 K N -1.125 119.352 120.400 0.128 0.000 2.032 94 K HA -0.357 4.031 4.320 0.113 0.000 0.209 94 K C 2.397 179.123 176.600 0.210 0.000 1.048 94 K CA 3.196 59.577 56.287 0.155 0.000 0.927 94 K CB -0.055 32.554 32.500 0.182 0.000 0.712 94 K HN -0.576 7.733 8.250 0.099 0.000 0.441 95 F N 1.496 121.520 119.950 0.122 0.000 2.026 95 F HA -0.501 4.151 4.527 0.209 0.000 0.296 95 F C 1.163 177.053 175.800 0.151 0.000 1.133 95 F CA 3.856 61.951 58.000 0.158 0.000 1.188 95 F CB 0.060 39.140 39.000 0.134 0.000 0.968 95 F HN 0.291 8.702 8.300 0.366 0.109 0.476 96 M N -0.944 118.773 119.600 0.195 0.000 2.106 96 M HA -0.594 3.819 4.480 -0.111 0.000 0.259 96 M C 1.829 178.118 176.300 -0.018 0.000 1.068 96 M CA 4.153 59.480 55.300 0.045 0.000 1.100 96 M CB -0.131 32.572 32.600 0.172 0.000 1.351 96 M HN 0.170 8.626 8.290 0.455 0.108 0.404 97 K N -1.236 119.184 120.400 0.033 0.000 2.026 97 K HA -0.420 3.915 4.320 0.026 0.000 0.208 97 K C 2.307 178.917 176.600 0.018 0.000 1.048 97 K CA 3.522 59.826 56.287 0.029 0.000 0.929 97 K CB -0.361 32.167 32.500 0.047 0.000 0.713 97 K HN -0.542 7.754 8.250 0.077 0.000 0.439 98 N N -0.920 117.790 118.700 0.016 0.000 2.171 98 N HA -0.182 4.591 4.740 0.055 0.000 0.184 98 N C 2.162 177.706 175.510 0.056 0.000 1.021 98 N CA 3.411 56.484 53.050 0.038 0.000 0.854 98 N CB 0.515 39.039 38.487 0.062 0.000 0.994 98 N HN -0.230 8.165 8.380 0.024 0.000 0.426 99 V N -1.006 118.875 119.914 -0.055 0.000 2.307 99 V HA -0.235 4.136 4.120 0.419 0.000 0.245 99 V C 2.190 178.300 176.094 0.026 0.000 1.045 99 V CA 3.232 65.562 62.300 0.051 0.000 1.024 99 V CB -0.519 31.170 31.823 -0.224 0.000 0.651 99 V HN 0.332 8.395 8.190 -0.213 0.000 0.449 100 I N 0.108 120.706 120.570 0.047 0.000 2.179 100 I HA -0.488 3.750 4.170 0.114 0.000 0.242 100 I C 1.585 177.679 176.117 -0.038 0.000 1.088 100 I CA 2.696 64.024 61.300 0.046 0.000 1.357 100 I CB -1.747 36.282 38.000 0.048 0.000 1.051 100 I HN -0.687 7.525 8.210 0.004 0.000 0.409 101 D N 0.454 120.849 120.400 -0.009 0.000 2.103 101 D HA -0.387 4.250 4.640 -0.006 0.000 0.190 101 D C 1.970 178.263 176.300 -0.012 0.000 0.997 101 D CA 3.793 57.794 54.000 0.001 0.000 0.833 101 D CB 0.145 40.964 40.800 0.031 0.000 0.961 101 D HN -0.310 8.065 8.370 0.010 0.000 0.447 102 H N -1.392 117.654 119.070 -0.041 0.000 2.457 102 H HA -0.202 4.330 4.556 -0.041 0.000 0.294 102 H C 2.062 177.343 175.328 -0.079 0.000 1.064 102 H CA 2.493 58.508 56.048 -0.056 0.000 1.330 102 H CB -0.099 29.624 29.762 -0.064 0.000 1.395 102 H HN 0.120 8.473 8.280 0.122 0.000 0.541 103 M N 0.591 119.739 119.600 -0.755 0.000 2.098 103 M HA -0.235 3.776 4.480 -0.781 0.000 0.262 103 M C 1.218 177.352 176.300 -0.277 0.000 1.072 103 M CA 1.903 56.809 55.300 -0.657 0.000 1.133 103 M CB -0.068 32.158 32.600 -0.623 0.000 1.344 103 M HN -0.300 7.507 8.290 -0.594 0.126 0.414 104 E N -1.296 118.804 120.200 -0.166 0.000 2.204 104 E HA -0.380 3.981 4.350 -0.079 -0.059 0.194 104 E C 2.635 179.196 176.600 -0.064 0.000 0.989 104 E CA 2.686 59.035 56.400 -0.084 0.000 0.824 104 E CB -0.800 28.874 29.700 -0.045 0.000 0.756 104 E HN 0.203 8.466 8.360 -0.161 0.000 0.477 105 K N -0.944 119.418 120.400 -0.063 0.000 2.103 105 K HA -0.295 4.014 4.320 -0.019 0.000 0.207 105 K C 1.408 177.990 176.600 -0.029 0.000 1.048 105 K CA 2.977 59.246 56.287 -0.029 0.000 0.930 105 K CB 0.066 32.566 32.500 0.001 0.000 0.716 105 K HN -0.303 7.878 8.250 -0.083 0.019 0.444 106 N N -4.197 114.473 118.700 -0.050 0.000 2.482 106 N HA -0.071 4.656 4.740 -0.022 0.000 0.179 106 N C 1.609 177.090 175.510 -0.048 0.000 1.039 106 N CA 1.178 54.205 53.050 -0.038 0.000 0.884 106 N CB 0.523 38.993 38.487 -0.029 0.000 1.113 106 N HN -0.494 7.715 8.380 -0.086 0.119 0.440 107 N N -0.601 118.057 118.700 -0.071 0.000 2.439 107 N HA -0.026 4.686 4.740 -0.048 0.000 0.176 107 N C 0.478 175.962 175.510 -0.043 0.000 1.029 107 N CA 0.137 53.151 53.050 -0.061 0.000 0.886 107 N CB 1.363 39.800 38.487 -0.084 0.000 1.057 107 N HN -0.036 8.285 8.380 -0.098 0.000 0.437 108 R N -3.586 116.888 120.500 -0.044 0.000 3.594 108 R HA -0.386 4.039 4.340 -0.028 -0.102 0.317 108 R C -1.775 174.514 176.300 -0.020 0.000 0.681 108 R CA 2.482 58.565 56.100 -0.028 0.000 1.656 108 R CB -1.708 28.580 30.300 -0.020 0.000 1.720 108 R HN -0.461 7.683 8.270 -0.059 0.090 0.480 109 D N 2.234 122.622 120.400 -0.019 0.000 2.363 109 D HA 0.026 4.661 4.640 -0.007 0.000 0.263 109 D C 0.916 177.214 176.300 -0.002 0.000 1.258 109 D CA 0.451 54.446 54.000 -0.010 0.000 0.907 109 D CB 0.069 40.863 40.800 -0.009 0.000 1.107 109 D HN -0.178 8.049 8.370 -0.026 0.128 0.495 110 K N 4.758 125.159 120.400 0.001 0.000 2.280 110 K HA -0.362 3.963 4.320 0.008 0.000 0.202 110 K C 1.446 178.054 176.600 0.013 0.000 1.047 110 K CA 2.880 59.172 56.287 0.007 0.000 0.942 110 K CB -0.326 32.177 32.500 0.005 0.000 0.739 110 K HN 0.337 8.586 8.250 -0.001 0.000 0.457 111 A N -1.487 121.339 122.820 0.011 0.000 1.970 111 A HA -0.082 4.247 4.320 0.016 0.000 0.216 111 A C 1.570 179.168 177.584 0.023 0.000 1.170 111 A CA 2.272 54.318 52.037 0.015 0.000 0.645 111 A CB -0.831 18.176 19.000 0.011 0.000 0.816 111 A HN 0.105 8.227 8.150 0.007 0.032 0.447 112 D N -0.919 119.494 120.400 0.022 0.000 2.144 112 D HA -0.081 4.582 4.640 0.037 0.000 0.207 112 D C 1.683 178.023 176.300 0.067 0.000 0.970 112 D CA 2.707 56.726 54.000 0.032 0.000 0.853 112 D CB 0.582 41.386 40.800 0.008 0.000 1.007 112 D HN -0.624 7.651 8.370 0.013 0.103 0.469 113 V N -3.475 116.473 119.914 0.056 0.000 2.490 113 V HA -0.500 3.725 4.120 0.175 0.000 0.250 113 V C 1.437 177.604 176.094 0.121 0.000 1.061 113 V CA 3.883 66.249 62.300 0.110 0.000 1.064 113 V CB -0.331 31.525 31.823 0.055 0.000 0.670 113 V HN -0.180 8.026 8.190 0.027 0.000 0.461 114 D N 0.162 120.601 120.400 0.063 0.000 2.144 114 D HA -0.282 4.374 4.640 0.026 0.000 0.200 114 D C 1.450 177.771 176.300 0.035 0.000 0.978 114 D CA 3.474 57.496 54.000 0.037 0.000 0.833 114 D CB -0.012 40.802 40.800 0.023 0.000 0.961 114 D HN -0.557 7.829 8.370 0.049 0.013 0.470 115 A N -0.324 122.530 122.820 0.057 0.000 1.877 115 A HA -0.259 4.081 4.320 0.034 0.000 0.216 115 A C 1.845 179.478 177.584 0.081 0.000 1.186 115 A CA 2.882 54.954 52.037 0.058 0.000 0.620 115 A CB -0.822 18.216 19.000 0.063 0.000 0.822 115 A HN -0.775 7.326 8.150 0.061 0.085 0.443 116 F N 0.077 120.020 119.950 -0.012 0.000 2.095 116 F HA -0.490 4.031 4.527 -0.010 0.000 0.298 116 F C 1.342 177.144 175.800 0.004 0.000 1.104 116 F CA 2.877 60.869 58.000 -0.014 0.000 1.232 116 F CB -0.169 38.806 39.000 -0.042 0.000 0.987 116 F HN 0.210 8.652 8.300 0.237 0.000 0.475 117 K N -1.206 119.008 120.400 -0.310 0.000 2.152 117 K HA -0.488 3.449 4.320 -0.639 0.000 0.206 117 K C 2.167 178.634 176.600 -0.221 0.000 1.048 117 K CA 3.373 59.445 56.287 -0.359 0.000 0.933 117 K CB -0.187 32.238 32.500 -0.125 0.000 0.721 117 K HN 0.064 8.199 8.250 -0.008 0.110 0.447 118 K N -0.916 119.413 120.400 -0.118 0.000 2.097 118 K HA -0.220 4.074 4.320 -0.044 0.000 0.205 118 K C 2.104 178.672 176.600 -0.053 0.000 1.050 118 K CA 2.400 58.653 56.287 -0.056 0.000 0.938 118 K CB -0.693 31.797 32.500 -0.016 0.000 0.718 118 K HN -0.403 7.687 8.250 -0.082 0.111 0.442 119 K N -0.353 119.999 120.400 -0.079 0.000 2.001 119 K HA -0.373 3.954 4.320 0.010 0.000 0.214 119 K C 2.485 179.068 176.600 -0.028 0.000 1.050 119 K CA 3.753 60.016 56.287 -0.041 0.000 0.934 119 K CB -0.213 32.273 32.500 -0.023 0.000 0.718 119 K HN -0.529 7.580 8.250 -0.095 0.084 0.443 120 I N -0.553 119.926 120.570 -0.151 0.000 2.394 120 I HA -0.375 3.848 4.170 0.089 0.000 0.251 120 I C 1.098 177.282 176.117 0.112 0.000 1.136 120 I CA 1.883 63.180 61.300 -0.006 0.000 1.425 120 I CB -0.149 37.796 38.000 -0.091 0.000 1.079 120 I HN -0.500 7.491 8.210 -0.365 0.000 0.425 121 Q N 0.792 120.599 119.800 0.012 0.000 2.030 121 Q HA -0.417 3.950 4.340 0.046 0.000 0.204 121 Q C 2.329 178.356 176.000 0.046 0.000 0.986 121 Q CA 3.801 59.621 55.803 0.029 0.000 0.843 121 Q CB -0.440 28.293 28.738 -0.008 0.000 0.904 121 Q HN 0.252 8.392 8.270 -0.073 0.085 0.420 122 G N -1.984 106.846 108.800 0.050 0.000 2.440 122 G HA2 -0.350 3.620 3.960 0.017 0.000 0.218 122 G HA3 -0.350 3.643 3.960 0.056 0.000 0.218 122 G C 0.719 175.660 174.900 0.068 0.000 1.154 122 G CA 1.698 46.827 45.100 0.048 0.000 0.767 122 G HN 0.062 8.374 8.290 0.036 0.000 0.552 123 W N 3.568 124.829 121.300 -0.064 0.000 2.332 123 W HA -0.416 4.199 4.660 -0.076 0.000 0.321 123 W C 1.590 178.037 176.519 -0.121 0.000 1.219 123 W CA 4.784 62.081 57.345 -0.079 0.000 1.277 123 W CB 0.147 29.571 29.460 -0.061 0.000 1.161 123 W HN -0.494 7.845 8.180 0.264 0.000 0.476 124 V N -2.540 117.381 119.914 0.012 0.000 2.307 124 V HA -0.475 3.320 4.120 -0.543 0.000 0.245 124 V C 1.840 177.779 176.094 -0.258 0.000 1.045 124 V CA 4.167 66.344 62.300 -0.205 0.000 1.024 124 V CB -0.619 31.229 31.823 0.042 0.000 0.651 124 V HN 0.214 8.567 8.190 0.271 0.000 0.449 125 V N 0.021 119.851 119.914 -0.139 0.000 2.332 125 V HA -0.472 3.581 4.120 -0.112 0.000 0.248 125 V C 1.546 177.507 176.094 -0.221 0.000 1.055 125 V CA 3.842 66.063 62.300 -0.132 0.000 1.038 125 V CB -1.262 30.524 31.823 -0.061 0.000 0.651 125 V HN -0.000 8.152 8.190 -0.063 0.000 0.450 126 S N -1.243 114.292 115.700 -0.275 0.000 2.357 126 S HA -0.177 4.151 4.470 -0.236 0.000 0.221 126 S C 2.763 176.799 174.600 -0.940 0.000 1.031 126 S CA 3.007 60.980 58.200 -0.379 0.000 0.982 126 S CB 0.439 63.503 63.200 -0.226 0.000 0.853 126 S HN -0.571 7.608 8.310 -0.218 0.000 0.458 127 L N 2.418 123.035 121.223 -1.010 0.000 2.131 127 L HA -0.226 2.984 4.340 -1.882 0.000 0.210 127 L C 0.871 177.145 176.870 -0.995 0.000 1.092 127 L CA 2.207 56.264 54.840 -1.306 0.000 0.759 127 L CB 0.172 41.503 42.059 -1.212 0.000 0.903 127 L HN -0.017 7.743 8.230 -0.784 0.000 0.435 128 L N -5.636 115.217 121.223 -0.617 0.000 2.591 128 L HA -0.047 4.106 4.340 -0.313 0.000 0.228 128 L C -0.220 176.528 176.870 -0.205 0.000 1.133 128 L CA -0.464 54.182 54.840 -0.324 0.000 0.880 128 L CB -0.509 41.455 42.059 -0.159 0.000 1.033 128 L HN -0.349 7.518 8.230 -0.566 0.024 0.450 129 A N 0.189 122.836 122.820 -0.288 0.000 2.752 129 A HA -0.170 4.144 4.320 -0.010 0.000 0.292 129 A C -0.500 177.168 177.584 0.139 0.000 1.597 129 A CA 0.437 52.461 52.037 -0.022 0.000 1.241 129 A CB -1.154 17.901 19.000 0.092 0.000 1.061 129 A HN -0.321 7.292 8.150 -0.577 0.192 0.576 130 K N 5.284 125.734 120.400 0.084 0.000 2.001 130 K HA -0.458 3.924 4.320 0.103 0.000 0.214 130 K C 1.528 178.198 176.600 0.118 0.000 1.050 130 K CA 4.027 60.375 56.287 0.103 0.000 0.934 130 K CB -0.127 32.424 32.500 0.084 0.000 0.718 130 K HN -0.030 8.251 8.250 0.051 0.000 0.443 131 D N -3.480 116.975 120.400 0.092 0.000 2.182 131 D HA -0.222 4.443 4.640 0.041 0.000 0.201 131 D C 1.656 177.981 176.300 0.042 0.000 0.986 131 D CA 2.643 56.677 54.000 0.056 0.000 0.847 131 D CB -0.152 40.672 40.800 0.040 0.000 0.942 131 D HN -0.129 8.292 8.370 0.086 0.000 0.467 132 R N -1.029 119.525 120.500 0.091 0.000 2.057 132 R HA -0.135 4.175 4.340 -0.051 0.000 0.224 132 R C 2.108 178.377 176.300 -0.052 0.000 1.136 132 R CA 1.719 57.823 56.100 0.007 0.000 0.968 132 R CB 0.170 30.478 30.300 0.013 0.000 0.863 132 R HN -0.738 7.611 8.270 0.158 0.016 0.433 133 F N -0.091 119.883 119.950 0.041 0.000 2.771 133 F HA -0.010 4.669 4.527 0.252 0.000 0.299 133 F C 1.362 177.140 175.800 -0.037 0.000 1.177 133 F CA 1.217 59.258 58.000 0.068 0.000 1.450 133 F CB -0.877 38.124 39.000 0.003 0.000 1.114 133 F HN -0.193 8.444 8.300 0.561 0.000 0.587 134 K N 1.090 121.540 120.400 0.083 0.000 2.207 134 K HA -0.503 3.835 4.320 0.057 0.017 0.208 134 K C 0.555 177.127 176.600 -0.047 0.000 1.046 134 K CA 3.229 59.527 56.287 0.019 0.000 0.929 134 K CB -0.469 32.029 32.500 -0.004 0.000 0.720 134 K HN 0.332 8.569 8.250 0.105 0.075 0.463 135 N N -3.954 114.654 118.700 -0.153 0.000 2.455 135 N HA -0.020 4.646 4.740 -0.124 0.000 0.258 135 N C -0.831 174.587 175.510 -0.155 0.000 1.158 135 N CA -0.501 52.426 53.050 -0.205 0.000 0.893 135 N CB -0.506 37.768 38.487 -0.355 0.000 1.173 135 N HN -0.681 7.530 8.380 -0.214 0.040 0.503 136 L N -1.166 120.010 121.223 -0.078 0.000 2.439 136 L HA 0.181 4.533 4.340 0.019 0.000 0.259 136 L C -1.463 175.279 176.870 -0.214 0.000 1.129 136 L CA -0.406 54.375 54.840 -0.099 0.000 0.803 136 L CB 1.605 43.553 42.059 -0.184 0.000 1.161 136 L HN -0.293 7.808 8.230 -0.061 0.092 0.462 137 A N -1.547 121.141 122.820 -0.220 0.000 2.374 137 A HA 0.357 4.553 4.320 -0.206 0.000 0.305 137 A C -2.075 175.386 177.584 -0.206 0.000 1.053 137 A CA -1.179 50.771 52.037 -0.146 0.000 0.726 137 A CB 3.249 22.385 19.000 0.226 0.000 1.229 137 A HN -0.006 8.052 8.150 -0.153 0.000 0.431 138 F N 1.688 121.663 119.950 0.042 0.000 2.334 138 F HA 0.491 5.260 4.527 0.144 -0.155 0.367 138 F C -1.108 174.691 175.800 -0.002 0.000 1.115 138 F CA -2.032 56.010 58.000 0.069 0.000 1.116 138 F CB 0.462 39.489 39.000 0.044 0.000 1.230 138 F HN -0.131 8.135 8.300 -0.056 0.000 0.484 139 F N 4.092 124.152 119.950 0.183 0.000 2.404 139 F HA 0.627 5.439 4.527 0.134 -0.205 0.354 139 F C -0.915 174.967 175.800 0.137 0.000 1.122 139 F CA -0.907 57.171 58.000 0.130 0.000 1.080 139 F CB 2.004 41.046 39.000 0.070 0.000 1.131 139 F HN 0.089 8.709 8.300 0.535 0.000 0.471 140 I N 2.836 123.553 120.570 0.245 0.000 2.648 140 I HA 0.955 5.490 4.170 0.219 -0.234 0.304 140 I C -0.960 175.281 176.117 0.207 0.000 1.009 140 I CA -3.424 58.002 61.300 0.210 0.000 1.114 140 I CB 4.567 42.670 38.000 0.172 0.000 1.293 140 I HN 0.012 8.324 8.210 0.170 0.000 0.449 141 G N 3.463 112.383 108.800 0.199 0.000 2.432 141 G HA2 -0.108 3.985 3.960 0.222 0.000 0.239 141 G HA3 -0.108 3.969 3.960 0.195 0.000 0.239 141 G C -0.303 174.683 174.900 0.144 0.000 1.291 141 G CA 0.128 45.343 45.100 0.192 0.000 0.863 141 G HN -0.059 8.350 8.290 0.197 0.000 0.560 142 E N 6.752 127.026 120.200 0.123 0.000 2.086 142 E HA -0.538 4.014 4.350 0.097 -0.144 0.205 142 E C 2.095 178.741 176.600 0.076 0.000 1.027 142 E CA 3.704 60.158 56.400 0.091 0.000 0.830 142 E CB 0.066 29.806 29.700 0.068 0.000 0.751 142 E HN -0.145 8.293 8.360 0.129 0.000 0.456 143 R N -1.455 119.087 120.500 0.071 0.000 2.096 143 R HA -0.371 3.998 4.340 0.047 0.000 0.240 143 R C 2.370 178.712 176.300 0.070 0.000 1.139 143 R CA 3.447 59.583 56.100 0.060 0.000 0.952 143 R CB -0.694 29.638 30.300 0.053 0.000 0.854 143 R HN 0.422 8.735 8.270 0.072 0.000 0.436 144 A N -1.730 121.145 122.820 0.092 0.000 1.858 144 A HA -0.159 4.298 4.320 0.094 -0.081 0.216 144 A C 1.838 179.475 177.584 0.088 0.000 1.190 144 A CA 2.675 54.773 52.037 0.102 0.000 0.617 144 A CB -0.684 18.399 19.000 0.138 0.000 0.827 144 A HN -0.618 7.656 8.150 0.105 -0.062 0.443 145 A N -2.553 120.320 122.820 0.088 0.000 1.908 145 A HA -0.360 4.001 4.320 0.068 0.000 0.218 145 A C 1.705 179.322 177.584 0.055 0.000 1.181 145 A CA 2.895 54.975 52.037 0.071 0.000 0.627 145 A CB -0.621 18.424 19.000 0.075 0.000 0.818 145 A HN 0.014 8.224 8.150 0.100 0.000 0.445 146 E N -2.026 118.207 120.200 0.055 0.000 2.299 146 E HA -0.094 4.280 4.350 0.039 0.000 0.193 146 E C 1.721 178.345 176.600 0.038 0.000 0.998 146 E CA 0.884 57.310 56.400 0.043 0.000 0.851 146 E CB 0.560 30.284 29.700 0.041 0.000 0.795 146 E HN -0.119 8.269 8.360 0.062 0.009 0.492 147 G N -2.881 105.945 108.800 0.044 0.000 3.126 147 G HA2 0.019 3.999 3.960 0.033 0.000 0.224 147 G HA3 0.019 4.054 3.960 0.043 -0.049 0.224 147 G C -0.886 174.039 174.900 0.041 0.000 1.142 147 G CA -0.548 44.576 45.100 0.040 0.000 0.759 147 G HN -0.385 7.799 8.290 0.053 0.138 0.550 148 A N -2.270 120.577 122.820 0.045 0.000 2.816 148 A HA -0.372 3.973 4.320 0.041 0.000 0.270 148 A C -0.523 177.091 177.584 0.050 0.000 1.413 148 A CA 1.227 53.288 52.037 0.040 0.000 0.866 148 A CB -1.954 17.061 19.000 0.025 0.000 1.032 148 A HN -0.001 8.128 8.150 0.049 0.050 0.642 149 E N -2.214 118.028 120.200 0.071 0.000 2.601 149 E HA 0.057 4.451 4.350 0.073 0.000 0.250 149 E C -0.083 176.603 176.600 0.143 0.000 1.099 149 E CA -2.285 54.168 56.400 0.089 0.000 0.968 149 E CB 1.642 31.390 29.700 0.081 0.000 1.290 149 E HN -0.548 7.824 8.360 0.074 0.032 0.505 150 N N 1.290 120.099 118.700 0.183 0.000 3.259 150 N HA 0.084 5.056 4.740 0.388 0.000 0.308 150 N C -0.505 175.202 175.510 0.327 0.000 1.334 150 N CA -0.208 53.036 53.050 0.323 0.000 1.202 150 N CB -0.749 37.946 38.487 0.347 0.000 1.485 150 N HN 0.280 8.750 8.380 0.149 0.000 0.549 151 G N -1.798 107.157 108.800 0.259 0.000 2.634 151 G HA2 -0.121 3.938 3.960 0.165 0.000 0.255 151 G HA3 -0.121 3.950 3.960 0.184 0.000 0.255 151 G C -2.017 173.022 174.900 0.232 0.000 1.205 151 G CA -0.908 44.318 45.100 0.209 0.000 0.884 151 G HN -0.667 7.677 8.290 0.231 0.085 0.549 152 Q N -0.179 119.729 119.800 0.179 0.000 2.297 152 Q HA -0.141 4.439 4.340 0.400 0.000 0.267 152 Q C -0.659 175.452 176.000 0.186 0.000 1.006 152 Q CA 0.646 56.569 55.803 0.199 0.000 0.896 152 Q CB 0.954 29.743 28.738 0.086 0.000 1.186 152 Q HN 0.295 8.660 8.270 0.158 0.000 0.392 153 V N 7.632 127.635 119.914 0.148 0.000 2.339 153 V HA 0.016 4.403 4.120 0.220 -0.135 0.261 153 V C -0.855 175.365 176.094 0.211 0.000 1.058 153 V CA -0.525 61.884 62.300 0.181 0.000 0.897 153 V CB -0.206 31.719 31.823 0.169 0.000 1.052 153 V HN 0.412 8.648 8.190 0.078 0.000 0.480 154 A N 8.687 131.633 122.820 0.209 0.000 2.363 154 A HA 0.112 4.506 4.320 0.123 0.000 0.270 154 A C -0.868 176.849 177.584 0.221 0.000 1.121 154 A CA -0.796 51.334 52.037 0.155 0.000 0.800 154 A CB 1.693 20.718 19.000 0.041 0.000 1.052 154 A HN 0.748 9.031 8.150 0.221 0.000 0.493 155 I N 3.268 123.952 120.570 0.191 0.000 2.308 155 I HA 0.086 4.350 4.170 0.156 0.000 0.293 155 I C -1.247 174.923 176.117 0.089 0.000 1.078 155 I CA -1.415 59.983 61.300 0.164 0.000 1.292 155 I CB -1.116 37.019 38.000 0.225 0.000 1.423 155 I HN -0.267 8.043 8.210 0.167 0.000 0.493 156 I N 8.909 129.510 120.570 0.052 0.000 2.291 156 I HA 0.171 4.361 4.170 0.034 0.000 0.292 156 I C -1.180 174.963 176.117 0.043 0.000 1.064 156 I CA -2.084 59.245 61.300 0.047 0.000 1.269 156 I CB -1.690 36.365 38.000 0.092 0.000 1.418 156 I HN 0.326 8.551 8.210 0.024 0.000 0.485 157 E N 8.292 128.522 120.200 0.050 0.000 2.242 157 E HA 0.277 4.684 4.350 0.095 0.000 0.275 157 E C -1.788 174.846 176.600 0.056 0.000 1.002 157 E CA -2.857 53.568 56.400 0.041 0.000 0.841 157 E CB 4.087 33.778 29.700 -0.016 0.000 1.109 157 E HN 0.545 8.933 8.360 0.046 0.000 0.394 158 Y N 1.007 121.282 120.300 -0.042 0.000 2.341 158 Y HA 0.356 4.881 4.550 -0.042 0.000 0.340 158 Y C -0.949 174.915 175.900 -0.059 0.000 0.997 158 Y CA -2.063 56.002 58.100 -0.058 0.000 1.149 158 Y CB 0.705 39.113 38.460 -0.086 0.000 1.171 158 Y HN 0.246 8.582 8.280 0.094 0.000 0.494 159 R N 6.774 127.236 120.500 -0.064 0.000 2.536 159 R HA 0.322 4.572 4.340 -0.151 0.000 0.269 159 R C -1.910 174.369 176.300 -0.035 0.000 1.113 159 R CA -0.352 55.684 56.100 -0.105 0.000 0.948 159 R CB 3.673 33.897 30.300 -0.127 0.000 1.237 159 R HN -0.017 8.259 8.270 0.011 0.000 0.441 160 D N 4.285 124.667 120.400 -0.029 0.000 2.163 160 D HA 0.330 5.134 4.640 -0.012 -0.171 0.248 160 D C -1.102 175.186 176.300 -0.021 0.000 1.035 160 D CA -1.517 52.473 54.000 -0.017 0.000 0.872 160 D CB 1.988 42.782 40.800 -0.010 0.000 1.183 160 D HN 0.123 8.468 8.370 -0.041 0.000 0.445 161 V N 1.202 121.106 119.914 -0.016 0.000 2.304 161 V HA 0.036 4.146 4.120 -0.017 0.000 0.269 161 V C -0.288 175.799 176.094 -0.012 0.000 1.036 161 V CA -0.417 61.873 62.300 -0.016 0.000 0.840 161 V CB 0.341 32.154 31.823 -0.016 0.000 1.036 161 V HN 0.298 8.379 8.190 -0.013 0.100 0.466 162 D N 7.957 128.349 120.400 -0.012 0.000 3.046 162 D HA -0.381 4.253 4.640 -0.010 0.000 0.210 162 D C -0.297 175.997 176.300 -0.010 0.000 1.124 162 D CA 1.213 55.207 54.000 -0.010 0.000 0.986 162 D CB -0.219 40.576 40.800 -0.008 0.000 1.118 162 D HN 0.818 9.179 8.370 -0.014 0.000 0.416 163 G N -4.516 104.277 108.800 -0.012 0.000 2.480 163 G HA2 -0.310 3.708 3.960 -0.013 0.000 0.193 163 G HA3 -0.310 3.644 3.960 -0.011 0.000 0.193 163 G C -0.888 174.004 174.900 -0.013 0.000 1.004 163 G CA -0.123 44.969 45.100 -0.012 0.000 0.696 163 G HN -0.326 7.962 8.290 -0.013 -0.006 0.478 164 T N 2.272 116.819 114.554 -0.011 0.000 2.738 164 T HA 0.013 4.356 4.350 -0.013 0.000 0.294 164 T C -0.209 174.485 174.700 -0.010 0.000 0.914 164 T CA -0.684 61.411 62.100 -0.009 0.000 1.052 164 T CB -0.004 68.864 68.868 -0.001 0.000 0.897 164 T HN -0.388 7.745 8.240 -0.010 0.101 0.522 165 E N 7.560 127.748 120.200 -0.019 0.000 2.166 165 E HA 0.178 4.525 4.350 -0.005 0.000 0.279 165 E C -0.692 175.905 176.600 -0.004 0.000 1.095 165 E CA -0.290 56.100 56.400 -0.016 0.000 0.888 165 E CB -0.545 29.135 29.700 -0.032 0.000 1.041 165 E HN 0.355 8.696 8.360 -0.031 0.000 0.414 166 V N -2.749 117.171 119.914 0.009 0.000 2.769 166 V HA 0.608 4.754 4.120 0.042 0.000 0.312 166 V C -2.094 174.012 176.094 0.021 0.000 1.061 166 V CA -4.668 57.645 62.300 0.020 0.000 0.931 166 V CB 2.116 33.942 31.823 0.005 0.000 1.010 166 V HN 0.212 8.403 8.190 0.002 0.000 0.433 167 P HA 0.456 5.032 4.420 0.040 -0.132 0.281 167 P C -1.190 176.121 177.300 0.017 0.000 1.286 167 P CA -1.033 62.083 63.100 0.026 0.000 0.772 167 P CB 0.294 32.004 31.700 0.017 0.000 0.862 168 T N 6.757 121.323 114.554 0.020 0.000 2.758 168 T HA 0.465 4.998 4.350 0.030 -0.165 0.285 168 T C -1.161 173.574 174.700 0.059 0.000 0.981 168 T CA -0.280 61.839 62.100 0.031 0.000 0.965 168 T CB 2.013 70.888 68.868 0.012 0.000 0.927 168 T HN 0.565 8.818 8.240 0.020 0.000 0.448 169 L N 8.816 130.101 121.223 0.103 0.000 2.326 169 L HA 0.608 5.146 4.340 0.056 -0.164 0.278 169 L C -1.928 175.013 176.870 0.118 0.000 1.092 169 L CA -1.158 53.735 54.840 0.089 0.000 0.810 169 L CB 2.339 44.428 42.059 0.050 0.000 1.153 169 L HN 0.198 8.517 8.230 0.149 0.000 0.439 170 M N 3.262 122.935 119.600 0.121 0.000 2.457 170 M HA 1.126 5.995 4.480 0.140 -0.305 0.300 170 M C -2.010 174.364 176.300 0.124 0.000 1.141 170 M CA -1.522 53.869 55.300 0.151 0.000 0.901 170 M CB 4.120 36.863 32.600 0.238 0.000 1.687 170 M HN 0.513 8.870 8.290 0.112 0.000 0.449 171 L N -0.146 121.114 121.223 0.063 0.000 2.422 171 L HA 0.429 4.786 4.340 0.029 0.000 0.264 171 L C -1.805 174.982 176.870 -0.139 0.000 0.984 171 L CA -1.170 53.675 54.840 0.008 0.000 0.819 171 L CB 4.447 46.534 42.059 0.047 0.000 1.330 171 L HN -0.111 8.164 8.230 0.076 0.000 0.410 172 V N 2.200 121.991 119.914 -0.204 0.000 2.432 172 V HA 0.102 4.084 4.120 -0.425 -0.117 0.271 172 V C 0.893 176.896 176.094 -0.153 0.000 1.046 172 V CA -0.082 62.047 62.300 -0.285 0.000 0.945 172 V CB -0.529 31.107 31.823 -0.311 0.000 0.992 172 V HN 0.315 8.432 8.190 -0.122 0.000 0.471 173 K N 8.255 128.467 120.400 -0.313 0.000 2.044 173 K HA -0.327 3.702 4.320 -0.485 0.000 0.210 173 K C 0.828 177.387 176.600 -0.068 0.000 1.049 173 K CA 2.504 58.584 56.287 -0.345 0.000 0.927 173 K CB -0.016 32.227 32.500 -0.427 0.000 0.713 173 K HN 0.565 8.483 8.250 -0.378 0.105 0.443 174 E N -4.640 115.593 120.200 0.055 0.000 2.515 174 E HA -0.181 4.190 4.350 0.035 0.000 0.201 174 E C 0.416 177.103 176.600 0.146 0.000 1.071 174 E CA 0.987 57.453 56.400 0.111 0.000 0.880 174 E CB -0.589 29.231 29.700 0.200 0.000 0.828 174 E HN 0.155 8.563 8.360 0.080 0.000 0.540 175 A N -2.570 120.402 122.820 0.253 0.000 1.984 175 A HA 0.113 4.593 4.320 0.267 0.000 0.203 175 A C -0.958 176.666 177.584 0.066 0.000 1.292 175 A CA 0.709 52.919 52.037 0.289 0.000 0.782 175 A CB 1.784 21.133 19.000 0.581 0.000 0.924 175 A HN -0.199 7.875 8.150 0.217 0.206 0.475 176 I N -0.317 120.283 120.570 0.050 0.000 2.297 176 I HA 0.132 4.291 4.170 -0.017 0.000 0.291 176 I C -2.343 173.824 176.117 0.084 0.000 1.033 176 I CA -1.110 60.215 61.300 0.042 0.000 1.253 176 I CB 1.354 39.407 38.000 0.089 0.000 1.396 176 I HN -0.164 8.083 8.210 0.062 0.000 0.476 177 I N 10.559 131.159 120.570 0.050 0.000 2.460 177 I HA 0.292 4.508 4.170 0.076 0.000 0.298 177 I C -1.466 174.702 176.117 0.085 0.000 0.989 177 I CA -2.783 58.550 61.300 0.054 0.000 1.173 177 I CB 1.653 39.647 38.000 -0.009 0.000 1.338 177 I HN 0.667 8.779 8.210 0.014 0.106 0.456 178 E N 4.586 124.839 120.200 0.088 0.000 2.207 178 E HA 0.519 5.081 4.350 0.105 -0.149 0.270 178 E C -1.051 175.575 176.600 0.042 0.000 0.927 178 E CA -2.718 53.731 56.400 0.082 0.000 0.799 178 E CB 2.041 31.788 29.700 0.079 0.000 1.172 178 E HN 0.191 8.602 8.360 0.084 0.000 0.404 179 E N 2.558 122.776 120.200 0.031 0.000 2.145 179 E HA 0.182 4.537 4.350 0.008 0.000 0.270 179 E C -1.418 175.188 176.600 0.010 0.000 0.906 179 E CA -1.757 54.649 56.400 0.009 0.000 0.761 179 E CB 2.162 31.856 29.700 -0.010 0.000 1.116 179 E HN 0.655 8.934 8.360 0.043 0.107 0.408 180 K N 7.215 127.619 120.400 0.007 0.000 2.292 180 K HA 0.034 4.359 4.320 0.008 0.000 0.290 180 K C -0.725 175.874 176.600 -0.001 0.000 1.083 180 K CA 0.163 56.453 56.287 0.005 0.000 0.918 180 K CB 0.335 32.838 32.500 0.005 0.000 1.089 180 K HN 0.418 8.671 8.250 0.006 0.000 0.473 181 C N 7.335 126.633 119.300 -0.003 0.000 2.814 181 C HA 0.258 4.713 4.460 -0.008 0.000 0.269 181 C C -1.672 173.312 174.990 -0.009 0.000 1.090 181 C CA -0.872 58.141 59.018 -0.008 0.000 1.492 181 C CB -0.257 27.476 27.740 -0.013 0.000 1.825 181 C HN 0.695 8.925 8.230 0.000 0.000 0.442 182 L N 4.135 125.353 121.223 -0.009 0.000 2.738 182 L HA 0.247 4.579 4.340 -0.014 0.000 0.175 182 L C 0.559 177.423 176.870 -0.011 0.000 1.125 182 L CA 0.476 55.310 54.840 -0.011 0.000 0.857 182 L CB -0.433 41.620 42.059 -0.010 0.000 1.300 182 L HN -0.082 8.143 8.230 -0.007 0.000 0.499 183 E N 0.000 120.195 120.200 -0.009 0.000 2.725 183 E HA 0.000 4.345 4.350 -0.009 0.000 0.291 183 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 183 E CB 0.000 29.696 29.700 -0.007 0.000 0.812 183 E HN 0.000 8.356 8.360 -0.007 0.000 0.440