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 3p3e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKQRTLKNI IRATGVGLHS GEKVYLTLKP APVDTGIVFS RTDLDPVVEI DATA SEQUENCE PARAENVGET TMSTTLVKGD VKVDTVEHLL SAMAGLGIDN AYVELSASEV DATA SEQUENCE PIMDGSAGPF VFLIQSAGLQ EQEAAKKFIR IKREVSVEEG DKRAVFVPFD DATA SEQUENCE GFKVSFEIDF DHPVFRGRTQ QASVDFSSTS FVKEVSRART FGFMRDIEYL DATA SEQUENCE RSQNLALGGS VENAIVVDEN RVLNEDGLRY EDEFVKHKIL DAIGDLYLLG DATA SEQUENCE NSLIGEFRGF KSGHALNNQL LRTLIADKDA WEVVTFEDAR TAPISYM 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 4.554 4.480 0.123 0.000 0.227 1 M C 0.000 176.365 176.300 0.108 0.000 1.140 1 M CA 0.000 55.359 55.300 0.099 0.000 0.988 1 M CB 0.000 32.650 32.600 0.083 0.000 1.302 2 I N 2.332 123.002 120.570 0.166 0.000 2.452 2 I HA 0.025 4.272 4.170 0.128 0.000 0.287 2 I C -0.560 175.628 176.117 0.119 0.000 1.079 2 I CA 0.249 61.651 61.300 0.170 0.000 1.387 2 I CB 0.137 38.311 38.000 0.290 0.000 1.404 2 I HN 0.239 8.581 8.210 0.220 0.000 0.522 3 K N 7.223 127.656 120.400 0.055 0.000 2.098 3 K HA 0.463 4.941 4.320 0.011 -0.151 0.258 3 K C -0.270 176.300 176.600 -0.050 0.000 0.973 3 K CA -1.068 55.223 56.287 0.007 0.000 0.898 3 K CB 1.610 34.112 32.500 0.003 0.000 1.057 3 K HN 0.232 8.514 8.250 0.054 0.000 0.447 4 Q N -0.214 119.540 119.800 -0.076 0.000 2.474 4 Q HA -0.142 4.273 4.340 -0.171 -0.177 0.256 4 Q C -0.349 175.590 176.000 -0.102 0.000 1.048 4 Q CA 0.891 56.620 55.803 -0.123 0.000 0.922 4 Q CB 1.336 30.003 28.738 -0.118 0.000 1.288 4 Q HN -0.180 8.054 8.270 -0.061 0.000 0.484 5 R N -0.070 120.357 120.500 -0.122 0.000 2.686 5 R HA 0.850 5.332 4.340 -0.072 -0.185 0.283 5 R C -1.385 174.858 176.300 -0.095 0.000 0.978 5 R CA -1.183 54.861 56.100 -0.093 0.000 0.897 5 R CB 3.942 34.188 30.300 -0.090 0.000 1.192 5 R HN -0.152 8.241 8.270 -0.146 -0.211 0.457 6 T N 2.405 116.913 114.554 -0.077 0.000 2.693 6 T HA 0.575 4.984 4.350 -0.095 -0.116 0.278 6 T C -1.565 173.099 174.700 -0.060 0.000 0.994 6 T CA -2.893 59.158 62.100 -0.082 0.000 1.033 6 T CB 2.714 71.527 68.868 -0.092 0.000 1.342 6 T HN 0.375 8.577 8.240 -0.064 0.000 0.538 7 L N 0.186 121.375 121.223 -0.057 0.000 2.399 7 L HA 0.237 4.704 4.340 -0.036 -0.149 0.266 7 L C 0.514 177.367 176.870 -0.030 0.000 1.114 7 L CA -0.125 54.691 54.840 -0.039 0.000 0.804 7 L CB 0.778 42.815 42.059 -0.036 0.000 1.146 7 L HN 0.460 8.650 8.230 -0.067 0.000 0.451 8 K N 1.895 122.280 120.400 -0.024 0.000 2.243 8 K HA -0.123 4.187 4.320 -0.017 0.000 0.201 8 K C -0.372 176.220 176.600 -0.014 0.000 1.051 8 K CA 1.474 57.750 56.287 -0.018 0.000 0.970 8 K CB 0.713 33.203 32.500 -0.017 0.000 0.755 8 K HN 0.174 8.408 8.250 -0.025 0.000 0.465 9 N N -3.178 115.512 118.700 -0.016 0.000 2.610 9 N HA 0.103 4.839 4.740 -0.006 0.000 0.264 9 N C -1.780 173.725 175.510 -0.007 0.000 1.348 9 N CA -0.777 52.267 53.050 -0.011 0.000 0.819 9 N CB 3.283 41.761 38.487 -0.015 0.000 1.521 9 N HN -0.427 7.941 8.380 -0.020 0.000 0.497 10 I N -0.238 120.332 120.570 0.001 0.000 2.634 10 I HA -0.030 4.340 4.170 0.012 -0.193 0.284 10 I C -0.216 175.904 176.117 0.005 0.000 1.124 10 I CA 0.322 61.627 61.300 0.008 0.000 1.417 10 I CB 0.795 38.802 38.000 0.013 0.000 1.396 10 I HN 0.172 8.383 8.210 0.002 0.000 0.571 11 I N 7.304 127.882 120.570 0.013 0.000 2.913 11 I HA 0.331 4.507 4.170 0.011 0.000 0.302 11 I C -2.627 173.517 176.117 0.046 0.000 1.246 11 I CA -1.536 59.773 61.300 0.015 0.000 1.010 11 I CB 4.781 42.774 38.000 -0.011 0.000 1.259 11 I HN 0.341 8.563 8.210 0.019 0.000 0.434 12 R N 4.516 125.053 120.500 0.062 0.000 2.837 12 R HA 0.958 5.518 4.340 0.107 -0.156 0.271 12 R C -1.354 175.016 176.300 0.116 0.000 0.993 12 R CA -1.960 54.199 56.100 0.098 0.000 0.931 12 R CB 3.944 34.306 30.300 0.103 0.000 1.206 12 R HN 0.128 8.430 8.270 0.052 0.000 0.474 13 A N 0.665 123.568 122.820 0.139 0.000 2.609 13 A HA 0.525 4.910 4.320 0.109 0.000 0.291 13 A C -2.806 174.837 177.584 0.097 0.000 1.096 13 A CA -0.304 51.806 52.037 0.121 0.000 0.684 13 A CB 3.170 22.247 19.000 0.129 0.000 1.282 13 A HN 0.480 8.721 8.150 0.152 0.000 0.412 14 T N -3.274 111.296 114.554 0.027 0.000 2.916 14 T HA 1.003 5.454 4.350 -0.091 -0.155 0.292 14 T C -0.153 174.510 174.700 -0.063 0.000 1.055 14 T CA -2.403 59.648 62.100 -0.081 0.000 1.009 14 T CB 2.863 71.601 68.868 -0.216 0.000 1.118 14 T HN -0.013 8.241 8.240 0.025 0.000 0.497 15 G N -0.280 108.468 108.800 -0.086 0.000 2.494 15 G HA2 0.321 4.244 3.960 -0.062 0.000 0.308 15 G HA3 0.321 4.268 3.960 -0.022 0.000 0.308 15 G C -3.280 171.585 174.900 -0.059 0.000 1.263 15 G CA 0.464 45.532 45.100 -0.054 0.000 0.840 15 G HN -0.207 8.009 8.290 -0.123 0.000 0.479 16 V N -4.539 115.356 119.914 -0.033 0.000 2.864 16 V HA 0.895 5.182 4.120 -0.036 -0.189 0.314 16 V C -0.670 175.414 176.094 -0.015 0.000 1.073 16 V CA -3.492 58.791 62.300 -0.029 0.000 0.956 16 V CB 3.521 35.327 31.823 -0.028 0.000 1.023 16 V HN 0.015 8.191 8.190 -0.024 0.000 0.435 17 G N 0.545 109.334 108.800 -0.019 0.000 2.406 17 G HA2 0.087 4.018 3.960 -0.049 0.000 0.251 17 G HA3 0.087 4.136 3.960 -0.037 -0.112 0.251 17 G C -0.493 174.380 174.900 -0.044 0.000 1.271 17 G CA -0.332 44.745 45.100 -0.039 0.000 0.859 17 G HN -0.076 8.205 8.290 -0.016 0.000 0.540 18 L N 6.681 127.843 121.223 -0.100 0.000 1.994 18 L HA -0.236 4.093 4.340 -0.018 0.000 0.208 18 L C 1.024 177.913 176.870 0.031 0.000 1.071 18 L CA 2.982 57.783 54.840 -0.065 0.000 0.745 18 L CB 0.101 42.082 42.059 -0.130 0.000 0.892 18 L HN 0.296 8.507 8.230 -0.152 -0.072 0.431 19 H N -2.507 116.561 119.070 -0.004 0.000 2.326 19 H HA -0.117 4.435 4.556 -0.007 0.000 0.301 19 H C 2.718 178.040 175.328 -0.011 0.000 1.081 19 H CA 2.364 58.407 56.048 -0.009 0.000 1.334 19 H CB -0.294 29.459 29.762 -0.017 0.000 1.385 19 H HN -0.294 8.232 8.280 -0.281 -0.415 0.504 20 S N -2.084 113.682 115.700 0.109 0.000 2.470 20 S HA 0.017 4.522 4.470 0.058 0.000 0.222 20 S C 1.265 175.882 174.600 0.030 0.000 1.024 20 S CA 0.800 59.034 58.200 0.057 0.000 0.931 20 S CB 0.575 63.800 63.200 0.041 0.000 0.791 20 S HN -0.491 8.095 8.310 0.078 -0.230 0.513 21 G N 2.448 111.260 108.800 0.020 0.000 2.162 21 G HA2 -0.473 3.566 3.960 0.003 0.000 0.260 21 G HA3 -0.473 3.492 3.960 0.008 0.000 0.260 21 G C -1.403 173.496 174.900 -0.001 0.000 0.976 21 G CA 0.248 45.352 45.100 0.007 0.000 0.655 21 G HN -0.196 7.996 8.290 0.019 0.109 0.533 22 E N 1.076 121.277 120.200 0.001 0.000 2.289 22 E HA -0.001 4.348 4.350 -0.001 0.000 0.278 22 E C -0.658 175.932 176.600 -0.016 0.000 1.032 22 E CA -0.921 55.478 56.400 -0.001 0.000 0.854 22 E CB 1.189 30.894 29.700 0.010 0.000 1.046 22 E HN -0.780 7.530 8.360 0.005 0.054 0.409 23 K N 6.974 127.357 120.400 -0.030 0.000 2.448 23 K HA 0.009 4.461 4.320 -0.085 -0.183 0.278 23 K C -0.794 175.760 176.600 -0.078 0.000 1.009 23 K CA 1.089 57.331 56.287 -0.076 0.000 0.995 23 K CB 0.538 32.976 32.500 -0.103 0.000 0.917 23 K HN 0.296 8.532 8.250 -0.022 0.000 0.481 24 V N 5.404 125.245 119.914 -0.121 0.000 2.888 24 V HA 0.329 4.455 4.120 0.010 0.000 0.309 24 V C -2.462 173.554 176.094 -0.130 0.000 1.114 24 V CA -2.513 59.756 62.300 -0.052 0.000 0.940 24 V CB 3.594 35.429 31.823 0.021 0.000 1.021 24 V HN 0.564 8.665 8.190 -0.148 0.000 0.426 25 Y N 5.616 125.946 120.300 0.050 0.000 2.320 25 Y HA 0.177 4.761 4.550 0.058 0.000 0.334 25 Y C -1.317 174.625 175.900 0.070 0.000 1.055 25 Y CA -0.191 57.942 58.100 0.055 0.000 1.143 25 Y CB 1.542 40.026 38.460 0.042 0.000 1.193 25 Y HN 0.209 8.659 8.280 0.284 0.000 0.477 26 L N 4.884 126.238 121.223 0.218 0.000 2.341 26 L HA 0.873 5.493 4.340 0.171 -0.178 0.278 26 L C -1.526 175.439 176.870 0.157 0.000 1.005 26 L CA -1.583 53.365 54.840 0.181 0.000 0.818 26 L CB 3.833 46.009 42.059 0.196 0.000 1.259 26 L HN 0.578 8.931 8.230 0.204 0.000 0.418 27 T N 8.492 123.117 114.554 0.117 0.000 2.848 27 T HA 0.512 5.064 4.350 0.089 -0.148 0.285 27 T C -1.319 173.412 174.700 0.052 0.000 0.995 27 T CA -0.322 61.827 62.100 0.082 0.000 0.970 27 T CB 2.095 71.000 68.868 0.062 0.000 0.976 27 T HN 0.220 8.526 8.240 0.110 0.000 0.441 28 L N 6.073 127.322 121.223 0.043 0.000 2.307 28 L HA 0.740 5.233 4.340 -0.011 -0.160 0.284 28 L C -1.093 175.788 176.870 0.019 0.000 1.023 28 L CA -1.153 53.694 54.840 0.012 0.000 0.810 28 L CB 1.531 43.596 42.059 0.010 0.000 1.231 28 L HN 0.704 8.965 8.230 0.052 0.000 0.423 29 K N 1.579 121.996 120.400 0.029 0.000 2.435 29 K HA 0.563 4.906 4.320 0.038 0.000 0.251 29 K C -2.669 173.951 176.600 0.034 0.000 0.954 29 K CA -3.348 52.974 56.287 0.058 0.000 0.820 29 K CB 1.739 34.314 32.500 0.125 0.000 1.292 29 K HN 0.500 8.763 8.250 0.022 0.000 0.436 30 P HA 0.048 4.435 4.420 -0.055 0.000 0.269 30 P C -0.915 176.370 177.300 -0.024 0.000 1.217 30 P CA -0.330 62.761 63.100 -0.016 0.000 0.783 30 P CB 0.465 32.166 31.700 0.001 0.000 0.898 31 A N 1.341 124.069 122.820 -0.154 0.000 2.587 31 A HA 0.391 4.649 4.320 -0.103 0.000 0.293 31 A C -3.162 174.322 177.584 -0.167 0.000 1.087 31 A CA -2.519 49.349 52.037 -0.282 0.000 0.692 31 A CB 1.196 19.678 19.000 -0.863 0.000 1.291 31 A HN -0.087 7.972 8.150 -0.152 0.000 0.407 32 P HA 0.031 4.422 4.420 -0.049 0.000 0.273 32 P C -0.664 176.577 177.300 -0.099 0.000 1.250 32 P CA -0.958 62.103 63.100 -0.065 0.000 0.793 32 P CB 0.581 32.270 31.700 -0.017 0.000 1.011 33 V N -0.016 119.854 119.914 -0.074 0.000 2.814 33 V HA -0.556 3.610 4.120 -0.096 -0.103 0.307 33 V C 0.755 176.796 176.094 -0.088 0.000 1.089 33 V CA 2.279 64.530 62.300 -0.082 0.000 1.212 33 V CB 0.114 31.901 31.823 -0.060 0.000 0.912 33 V HN 0.076 8.232 8.190 -0.057 0.000 0.497 34 D N 2.697 123.034 120.400 -0.105 0.000 3.076 34 D HA -0.249 4.322 4.640 -0.115 0.000 0.218 34 D C -0.414 175.820 176.300 -0.110 0.000 1.156 34 D CA 2.164 56.103 54.000 -0.102 0.000 0.921 34 D CB -1.501 39.256 40.800 -0.072 0.000 1.113 34 D HN 0.279 8.887 8.370 -0.116 -0.308 0.418 35 T N -0.015 114.454 114.554 -0.143 0.000 2.937 35 T HA -0.132 4.150 4.350 -0.113 0.000 0.260 35 T C 0.518 175.109 174.700 -0.182 0.000 1.051 35 T CA 1.511 63.512 62.100 -0.164 0.000 1.141 35 T CB 0.658 69.359 68.868 -0.278 0.000 0.879 35 T HN -0.335 7.911 8.240 -0.157 -0.101 0.459 36 G N -0.082 108.593 108.800 -0.209 0.000 2.645 36 G HA2 -0.331 3.657 3.960 -0.247 0.000 0.239 36 G HA3 -0.331 3.502 3.960 -0.210 0.000 0.239 36 G C -1.872 172.881 174.900 -0.244 0.000 1.331 36 G CA -0.342 44.622 45.100 -0.227 0.000 0.890 36 G HN -0.253 8.205 8.290 -0.207 -0.292 0.572 37 I N 0.959 121.400 120.570 -0.214 0.000 2.336 37 I HA 0.544 4.776 4.170 -0.278 -0.228 0.292 37 I C -0.554 175.467 176.117 -0.159 0.000 0.991 37 I CA -2.122 59.044 61.300 -0.223 0.000 1.227 37 I CB -0.364 37.527 38.000 -0.182 0.000 1.366 37 I HN 0.208 8.293 8.210 -0.208 0.000 0.466 38 V N 6.700 126.514 119.914 -0.166 0.000 2.444 38 V HA 0.236 4.398 4.120 0.069 0.000 0.294 38 V C -1.296 174.785 176.094 -0.022 0.000 1.022 38 V CA -1.302 61.005 62.300 0.013 0.000 0.850 38 V CB 2.277 34.190 31.823 0.151 0.000 0.992 38 V HN 0.053 8.106 8.190 -0.228 0.000 0.426 39 F N 7.299 127.276 119.950 0.046 0.000 2.384 39 F HA 0.495 5.246 4.527 0.046 -0.196 0.338 39 F C -0.147 175.676 175.800 0.040 0.000 1.103 39 F CA -0.467 57.556 58.000 0.037 0.000 1.157 39 F CB 2.180 41.183 39.000 0.005 0.000 1.167 39 F HN 0.310 8.850 8.300 0.401 0.000 0.529 40 S N 1.321 117.138 115.700 0.195 0.000 2.561 40 S HA 0.573 5.290 4.470 0.101 -0.187 0.303 40 S C -1.138 173.524 174.600 0.102 0.000 1.110 40 S CA -1.017 57.248 58.200 0.108 0.000 1.034 40 S CB 2.478 65.698 63.200 0.034 0.000 1.010 40 S HN 0.712 9.133 8.310 0.185 0.000 0.482 41 R N 6.869 127.414 120.500 0.076 0.000 2.419 41 R HA 0.453 4.995 4.340 0.072 -0.159 0.305 41 R C 1.283 177.605 176.300 0.036 0.000 1.242 41 R CA -1.744 54.391 56.100 0.058 0.000 1.105 41 R CB -1.028 29.298 30.300 0.043 0.000 1.116 41 R HN 0.351 8.661 8.270 0.067 0.000 0.523 42 T N 1.659 116.234 114.554 0.035 0.000 3.113 42 T HA -0.032 4.319 4.350 0.003 0.000 0.256 42 T C 0.572 175.277 174.700 0.010 0.000 1.131 42 T CA 1.695 63.803 62.100 0.012 0.000 1.074 42 T CB -0.025 68.845 68.868 0.004 0.000 0.944 42 T HN 0.137 8.406 8.240 0.048 0.000 0.516 43 D N -0.185 120.229 120.400 0.024 0.000 2.277 43 D HA -0.108 4.540 4.640 0.014 0.000 0.208 43 D C 0.269 176.578 176.300 0.014 0.000 0.962 43 D CA 1.145 55.158 54.000 0.021 0.000 0.865 43 D CB -0.247 40.575 40.800 0.037 0.000 0.939 43 D HN -0.052 8.292 8.370 0.034 0.046 0.510 44 L N 0.335 121.565 121.223 0.013 0.000 2.421 44 L HA 0.035 4.381 4.340 0.009 0.000 0.263 44 L C -0.763 176.108 176.870 0.002 0.000 1.122 44 L CA 0.084 54.929 54.840 0.009 0.000 0.804 44 L CB 0.910 42.975 42.059 0.011 0.000 1.150 44 L HN -0.801 7.403 8.230 0.016 0.035 0.457 45 D N -0.384 120.017 120.400 0.001 0.000 2.476 45 D HA 0.235 4.872 4.640 -0.005 0.000 0.251 45 D C -1.643 174.656 176.300 -0.002 0.000 1.291 45 D CA -2.573 51.425 54.000 -0.003 0.000 0.939 45 D CB 1.320 42.118 40.800 -0.004 0.000 1.221 45 D HN -0.165 8.206 8.370 0.002 0.000 0.567 46 P HA 0.080 4.495 4.420 -0.008 0.000 0.274 46 P C -1.585 175.713 177.300 -0.004 0.000 1.246 46 P CA -0.661 62.435 63.100 -0.006 0.000 0.795 46 P CB 2.087 33.783 31.700 -0.006 0.000 1.006 47 V N -0.604 119.305 119.914 -0.008 0.000 2.655 47 V HA -0.206 4.130 4.120 0.000 -0.216 0.300 47 V C 0.031 176.125 176.094 -0.000 0.000 1.044 47 V CA 0.472 62.768 62.300 -0.005 0.000 1.095 47 V CB 0.562 32.374 31.823 -0.017 0.000 0.952 47 V HN 0.020 8.202 8.190 -0.013 0.000 0.485 48 V N 8.468 128.388 119.914 0.011 0.000 2.417 48 V HA 0.198 4.325 4.120 0.013 0.000 0.291 48 V C -1.351 174.763 176.094 0.034 0.000 1.024 48 V CA -1.071 61.240 62.300 0.018 0.000 0.861 48 V CB 1.788 33.622 31.823 0.018 0.000 0.985 48 V HN -0.122 8.077 8.190 0.015 0.000 0.436 49 E N 6.878 127.100 120.200 0.036 0.000 2.179 49 E HA 0.777 5.371 4.350 0.081 -0.195 0.275 49 E C -1.026 175.617 176.600 0.071 0.000 0.945 49 E CA -1.456 54.981 56.400 0.062 0.000 0.792 49 E CB 2.362 32.092 29.700 0.049 0.000 1.125 49 E HN 0.377 8.753 8.360 0.026 0.000 0.397 50 I N 2.469 123.106 120.570 0.112 0.000 2.497 50 I HA 0.470 4.680 4.170 0.067 0.000 0.284 50 I C -2.953 173.252 176.117 0.147 0.000 1.060 50 I CA -3.188 58.171 61.300 0.099 0.000 1.071 50 I CB 2.764 40.803 38.000 0.065 0.000 1.216 50 I HN 0.682 8.985 8.210 0.155 0.000 0.442 51 P HA -0.026 4.560 4.420 0.085 -0.116 0.268 51 P C -0.867 176.490 177.300 0.096 0.000 1.204 51 P CA -0.236 62.912 63.100 0.080 0.000 0.768 51 P CB 0.211 31.927 31.700 0.027 0.000 0.842 52 A N 6.185 129.078 122.820 0.122 0.000 2.915 52 A HA 0.049 4.450 4.320 0.136 0.000 0.292 52 A C -1.309 176.277 177.584 0.003 0.000 1.632 52 A CA -0.211 51.902 52.037 0.126 0.000 1.337 52 A CB -0.476 18.662 19.000 0.229 0.000 1.111 52 A HN 0.504 8.715 8.150 0.101 0.000 0.569 53 R N 1.601 122.096 120.500 -0.008 0.000 2.795 53 R HA 0.527 5.005 4.340 -0.067 -0.178 0.275 53 R C 0.565 176.851 176.300 -0.022 0.000 0.981 53 R CA -2.882 53.194 56.100 -0.040 0.000 0.917 53 R CB 3.097 33.369 30.300 -0.046 0.000 1.202 53 R HN -0.509 7.741 8.270 0.007 0.024 0.469 54 A N 2.333 125.137 122.820 -0.026 0.000 1.948 54 A HA -0.250 4.074 4.320 0.007 0.000 0.220 54 A C 1.439 179.025 177.584 0.003 0.000 1.177 54 A CA 3.297 55.333 52.037 -0.002 0.000 0.636 54 A CB -0.084 18.917 19.000 0.002 0.000 0.815 54 A HN 0.144 8.268 8.150 -0.043 0.000 0.449 55 E N -4.180 116.019 120.200 -0.003 0.000 2.418 55 E HA -0.207 4.150 4.350 0.012 0.000 0.197 55 E C 0.189 176.791 176.600 0.004 0.000 1.026 55 E CA 1.677 58.080 56.400 0.005 0.000 0.862 55 E CB -0.751 28.952 29.700 0.004 0.000 0.799 55 E HN 0.296 8.630 8.360 -0.011 0.019 0.518 56 N N -1.597 117.102 118.700 -0.002 0.000 2.205 56 N HA 0.170 4.908 4.740 -0.002 0.000 0.201 56 N C -1.653 173.847 175.510 -0.015 0.000 1.128 56 N CA -0.262 52.785 53.050 -0.005 0.000 0.867 56 N CB 1.573 40.058 38.487 -0.003 0.000 0.996 56 N HN -0.437 7.778 8.380 -0.004 0.162 0.503 57 V N 0.248 120.155 119.914 -0.011 0.000 2.508 57 V HA -0.185 4.085 4.120 -0.034 -0.170 0.281 57 V C 0.116 176.206 176.094 -0.007 0.000 1.041 57 V CA 1.727 64.018 62.300 -0.015 0.000 1.016 57 V CB 0.058 31.881 31.823 -0.001 0.000 0.984 57 V HN -0.854 7.286 8.190 -0.003 0.047 0.478 58 G N 7.159 115.950 108.800 -0.015 0.000 2.766 58 G HA2 0.179 4.140 3.960 0.001 0.000 0.206 58 G HA3 0.179 4.133 3.960 -0.011 0.000 0.206 58 G C -1.672 173.228 174.900 0.000 0.000 2.072 58 G CA -0.469 44.627 45.100 -0.006 0.000 0.798 58 G HN 0.204 8.477 8.290 -0.028 0.000 0.703 59 E N 0.689 120.885 120.200 -0.005 0.000 2.392 59 E HA -0.087 4.269 4.350 0.011 0.000 0.264 59 E C -1.345 175.260 176.600 0.009 0.000 1.024 59 E CA 0.537 56.939 56.400 0.003 0.000 0.903 59 E CB 0.901 30.598 29.700 -0.005 0.000 0.963 59 E HN -0.010 8.343 8.360 -0.012 0.000 0.432 60 T N 2.044 116.617 114.554 0.032 0.000 3.410 60 T HA 0.512 5.150 4.350 0.046 -0.261 0.328 60 T C -0.590 174.157 174.700 0.079 0.000 1.567 60 T CA -1.355 60.782 62.100 0.063 0.000 1.626 60 T CB 0.623 69.550 68.868 0.098 0.000 0.939 60 T HN 0.191 8.452 8.240 0.035 0.000 0.656 61 T N 6.895 121.482 114.554 0.054 0.000 3.145 61 T HA 0.131 4.519 4.350 0.065 0.000 0.362 61 T C -0.436 174.306 174.700 0.070 0.000 1.340 61 T CA -0.319 61.810 62.100 0.047 0.000 1.069 61 T CB -0.217 68.647 68.868 -0.006 0.000 1.129 61 T HN 0.356 8.615 8.240 0.032 0.000 0.585 62 M N -0.552 119.135 119.600 0.145 0.000 2.875 62 M HA -0.418 4.209 4.480 0.245 0.000 0.178 62 M C -1.581 174.894 176.300 0.293 0.000 0.644 62 M CA 1.103 56.530 55.300 0.212 0.000 0.665 62 M CB -1.703 30.980 32.600 0.138 0.000 2.406 62 M HN 0.559 8.942 8.290 0.154 0.000 0.333 63 S N -7.411 108.396 115.700 0.178 0.000 2.643 63 S HA 0.216 4.629 4.470 -0.332 -0.142 0.270 63 S C -1.638 172.819 174.600 -0.238 0.000 1.166 63 S CA -1.297 56.843 58.200 -0.100 0.000 0.815 63 S CB 3.130 66.379 63.200 0.083 0.000 1.139 63 S HN -0.782 7.531 8.310 0.143 0.083 0.472 64 T N 3.442 117.746 114.554 -0.417 0.000 2.779 64 T HA 0.455 4.716 4.350 -0.149 0.000 0.280 64 T C -0.787 173.804 174.700 -0.183 0.000 0.987 64 T CA 0.511 62.460 62.100 -0.252 0.000 0.966 64 T CB 1.703 70.408 68.868 -0.272 0.000 0.933 64 T HN 0.262 8.504 8.240 -0.516 -0.311 0.442 65 T N 8.893 123.377 114.554 -0.117 0.000 2.792 65 T HA 0.531 4.941 4.350 -0.153 -0.152 0.280 65 T C -1.143 173.488 174.700 -0.116 0.000 0.990 65 T CA -0.371 61.660 62.100 -0.116 0.000 0.960 65 T CB 1.712 70.543 68.868 -0.062 0.000 0.939 65 T HN 0.091 8.280 8.240 -0.084 0.000 0.439 66 L N 6.599 127.722 121.223 -0.167 0.000 2.350 66 L HA 0.471 4.914 4.340 -0.096 -0.161 0.275 66 L C -1.101 175.714 176.870 -0.092 0.000 1.099 66 L CA -0.452 54.308 54.840 -0.134 0.000 0.808 66 L CB 0.963 42.904 42.059 -0.197 0.000 1.149 66 L HN 0.420 8.514 8.230 -0.227 0.000 0.442 67 V N 0.716 120.599 119.914 -0.052 0.000 2.925 67 V HA 0.705 4.984 4.120 -0.036 -0.180 0.311 67 V C -2.102 173.982 176.094 -0.016 0.000 1.104 67 V CA -1.963 60.318 62.300 -0.032 0.000 0.954 67 V CB 3.736 35.545 31.823 -0.023 0.000 1.022 67 V HN 0.254 8.418 8.190 -0.043 0.000 0.427 68 K N 3.562 123.956 120.400 -0.009 0.000 2.668 68 K HA 0.295 4.615 4.320 0.000 0.000 0.246 68 K C 0.046 176.646 176.600 0.000 0.000 0.976 68 K CA -0.781 55.505 56.287 -0.000 0.000 0.902 68 K CB 2.528 35.032 32.500 0.006 0.000 1.172 68 K HN 0.260 8.504 8.250 -0.011 0.000 0.452 69 G N 9.085 117.885 108.800 0.001 0.000 2.596 69 G HA2 -0.347 3.615 3.960 0.002 0.000 0.304 69 G HA3 -0.347 3.615 3.960 0.002 0.000 0.304 69 G C -0.563 174.337 174.900 -0.000 0.000 1.189 69 G CA 1.285 46.386 45.100 0.001 0.000 0.986 69 G HN 0.464 8.754 8.290 0.001 0.000 0.548 70 D N 4.050 124.450 120.400 0.000 0.000 2.339 70 D HA 0.139 4.779 4.640 -0.001 0.000 0.217 70 D C -0.363 175.936 176.300 -0.002 0.000 1.050 70 D CA 0.285 54.285 54.000 -0.001 0.000 0.856 70 D CB 0.306 41.106 40.800 0.001 0.000 0.922 70 D HN 0.260 8.631 8.370 0.001 0.000 0.518 71 V N 1.487 121.400 119.914 -0.003 0.000 2.439 71 V HA 0.071 4.189 4.120 -0.002 0.000 0.282 71 V C -1.684 174.402 176.094 -0.013 0.000 1.039 71 V CA -0.059 62.239 62.300 -0.004 0.000 0.913 71 V CB 1.102 32.926 31.823 0.002 0.000 0.983 71 V HN -0.556 7.569 8.190 -0.002 0.064 0.460 72 K N 5.875 126.263 120.400 -0.019 0.000 2.385 72 K HA 0.742 5.208 4.320 -0.048 -0.174 0.248 72 K C -1.406 175.158 176.600 -0.061 0.000 0.955 72 K CA -1.741 54.522 56.287 -0.040 0.000 0.816 72 K CB 3.803 36.284 32.500 -0.032 0.000 1.250 72 K HN 0.209 8.451 8.250 -0.014 0.000 0.434 73 V N 1.771 121.613 119.914 -0.120 0.000 2.409 73 V HA 0.152 4.308 4.120 -0.132 -0.115 0.290 73 V C -2.401 173.558 176.094 -0.224 0.000 1.017 73 V CA -1.043 61.143 62.300 -0.191 0.000 0.841 73 V CB 1.907 33.526 31.823 -0.340 0.000 1.003 73 V HN 0.398 8.508 8.190 -0.134 0.000 0.426 74 D N 6.930 127.238 120.400 -0.153 0.000 2.253 74 D HA 0.324 4.891 4.640 -0.122 0.000 0.249 74 D C -0.548 175.636 176.300 -0.193 0.000 1.049 74 D CA -0.731 53.194 54.000 -0.125 0.000 0.929 74 D CB 2.763 43.554 40.800 -0.015 0.000 1.176 74 D HN 0.373 8.561 8.370 -0.118 0.111 0.437 75 T N 0.665 115.096 114.554 -0.205 0.000 3.860 75 T HA -0.418 3.918 4.350 -0.292 -0.161 0.378 75 T C 0.301 174.833 174.700 -0.280 0.000 0.761 75 T CA 1.505 63.438 62.100 -0.278 0.000 2.004 75 T CB -2.243 66.418 68.868 -0.344 0.000 1.778 75 T HN 0.221 8.363 8.240 -0.162 0.000 0.801 76 V N -6.777 112.964 119.914 -0.288 0.000 3.406 76 V HA -0.034 3.954 4.120 -0.219 0.000 0.263 76 V C 0.801 176.811 176.094 -0.141 0.000 1.172 76 V CA 1.492 63.646 62.300 -0.243 0.000 1.140 76 V CB 0.321 31.933 31.823 -0.352 0.000 0.784 76 V HN -0.813 7.201 8.190 -0.293 0.000 0.467 77 E N 1.306 121.387 120.200 -0.199 0.000 2.106 77 E HA -0.400 3.943 4.350 -0.011 0.000 0.192 77 E C 1.216 177.885 176.600 0.114 0.000 0.984 77 E CA 3.033 59.395 56.400 -0.063 0.000 0.806 77 E CB -1.099 28.541 29.700 -0.101 0.000 0.750 77 E HN 0.562 8.691 8.360 -0.298 0.052 0.458 78 H N -0.289 118.823 119.070 0.069 0.000 2.372 78 H HA -0.156 4.508 4.556 0.181 0.000 0.301 78 H C 1.917 177.295 175.328 0.083 0.000 1.065 78 H CA 1.657 57.808 56.048 0.171 0.000 1.364 78 H CB 0.210 30.173 29.762 0.334 0.000 1.406 78 H HN -0.213 7.995 8.280 -0.120 0.000 0.521 79 L N 0.085 121.194 121.223 -0.190 0.000 2.017 79 L HA -0.273 3.525 4.340 -0.904 0.000 0.208 79 L C 1.011 177.797 176.870 -0.140 0.000 1.073 79 L CA 2.767 57.246 54.840 -0.602 0.000 0.745 79 L CB -0.381 41.189 42.059 -0.815 0.000 0.894 79 L HN -0.250 7.849 8.230 -0.218 0.000 0.432 80 L N -3.251 117.967 121.223 -0.009 0.000 2.131 80 L HA -0.464 3.916 4.340 0.067 0.000 0.210 80 L C 2.037 178.906 176.870 -0.003 0.000 1.092 80 L CA 3.280 58.158 54.840 0.064 0.000 0.759 80 L CB -0.986 41.163 42.059 0.150 0.000 0.903 80 L HN -0.214 8.019 8.230 0.004 0.000 0.435 81 S N -0.758 114.979 115.700 0.062 0.000 2.368 81 S HA -0.435 4.021 4.470 -0.024 0.000 0.225 81 S C 1.531 176.104 174.600 -0.045 0.000 1.030 81 S CA 3.537 61.775 58.200 0.064 0.000 0.999 81 S CB -0.211 63.147 63.200 0.264 0.000 0.844 81 S HN -0.367 8.000 8.310 0.116 0.012 0.459 82 A N 1.437 124.332 122.820 0.126 0.000 1.902 82 A HA -0.266 4.224 4.320 0.283 0.000 0.217 82 A C 2.251 179.760 177.584 -0.124 0.000 1.181 82 A CA 3.119 55.242 52.037 0.143 0.000 0.623 82 A CB -0.784 18.402 19.000 0.310 0.000 0.818 82 A HN -0.562 7.697 8.150 0.182 0.000 0.443 83 M N -1.849 117.653 119.600 -0.164 0.000 2.080 83 M HA -0.436 3.946 4.480 -0.163 0.000 0.260 83 M C 2.267 178.208 176.300 -0.598 0.000 1.068 83 M CA 2.116 57.266 55.300 -0.250 0.000 1.109 83 M CB -1.133 31.398 32.600 -0.114 0.000 1.342 83 M HN -0.518 7.707 8.290 -0.109 0.000 0.405 84 A N -1.499 120.748 122.820 -0.954 0.000 1.877 84 A HA -0.204 2.966 4.320 -1.916 0.000 0.216 84 A C 2.987 180.092 177.584 -0.797 0.000 1.186 84 A CA 2.859 54.116 52.037 -1.300 0.000 0.620 84 A CB -0.696 17.679 19.000 -1.042 0.000 0.822 84 A HN 0.046 7.741 8.150 -0.758 0.000 0.443 85 G N -1.653 106.561 108.800 -0.976 0.000 2.432 85 G HA2 -0.188 3.071 3.960 -1.168 0.000 0.219 85 G HA3 -0.188 2.397 3.960 -2.292 0.000 0.219 85 G C 0.670 175.272 174.900 -0.497 0.000 1.135 85 G CA 1.440 45.788 45.100 -1.253 0.000 0.767 85 G HN -0.301 7.379 8.290 -1.017 0.000 0.550 86 L N -2.517 118.530 121.223 -0.294 0.000 2.607 86 L HA 0.195 4.528 4.340 -0.012 0.000 0.228 86 L C -0.489 176.383 176.870 0.003 0.000 1.123 86 L CA -0.990 53.810 54.840 -0.067 0.000 0.890 86 L CB 0.229 42.276 42.059 -0.019 0.000 1.103 86 L HN -0.609 7.394 8.230 -0.349 0.018 0.468 87 G N -1.211 107.564 108.800 -0.041 0.000 2.272 87 G HA2 -0.398 3.453 3.960 -0.182 0.000 0.280 87 G HA3 -0.398 3.568 3.960 0.010 0.000 0.280 87 G C -0.187 174.621 174.900 -0.153 0.000 1.067 87 G CA 0.250 45.298 45.100 -0.087 0.000 0.902 87 G HN -0.550 7.476 8.290 -0.164 0.166 0.500 88 I N -0.551 119.942 120.570 -0.128 0.000 2.322 88 I HA -0.066 4.052 4.170 -0.086 0.000 0.292 88 I C -1.127 174.992 176.117 0.002 0.000 1.060 88 I CA -2.196 59.059 61.300 -0.074 0.000 1.309 88 I CB -2.371 35.589 38.000 -0.066 0.000 1.415 88 I HN -0.360 7.745 8.210 -0.174 0.000 0.492 89 D N 7.193 127.547 120.400 -0.076 0.000 2.162 89 D HA -0.046 4.550 4.640 -0.073 0.000 0.205 89 D C -0.596 175.616 176.300 -0.147 0.000 0.964 89 D CA 2.944 56.877 54.000 -0.111 0.000 0.847 89 D CB 1.497 42.189 40.800 -0.180 0.000 0.988 89 D HN 0.032 8.333 8.370 -0.114 0.000 0.480 90 N N -2.370 116.235 118.700 -0.157 0.000 2.346 90 N HA 0.448 5.157 4.740 -0.248 -0.118 0.289 90 N C -2.184 173.178 175.510 -0.247 0.000 1.027 90 N CA -0.636 52.281 53.050 -0.222 0.000 0.864 90 N CB 3.489 41.846 38.487 -0.216 0.000 1.370 90 N HN -0.728 7.569 8.380 -0.139 0.000 0.481 91 A N 2.352 124.966 122.820 -0.343 0.000 2.594 91 A HA 0.535 4.795 4.320 -0.319 -0.132 0.296 91 A C -2.786 174.532 177.584 -0.444 0.000 1.056 91 A CA -0.069 51.767 52.037 -0.334 0.000 0.693 91 A CB 3.524 22.403 19.000 -0.200 0.000 1.278 91 A HN 0.404 8.323 8.150 -0.386 0.000 0.408 92 Y N -0.909 119.310 120.300 -0.136 0.000 2.342 92 Y HA 0.413 5.017 4.550 -0.182 -0.163 0.334 92 Y C -0.333 175.448 175.900 -0.198 0.000 1.067 92 Y CA -1.548 56.459 58.100 -0.156 0.000 1.128 92 Y CB 2.757 41.160 38.460 -0.095 0.000 1.200 92 Y HN -0.097 8.103 8.280 -0.133 0.000 0.464 93 V N 3.277 123.111 119.914 -0.133 0.000 2.376 93 V HA 0.495 4.731 4.120 -0.116 -0.185 0.287 93 V C -1.097 174.976 176.094 -0.034 0.000 1.015 93 V CA -1.505 60.673 62.300 -0.203 0.000 0.834 93 V CB 1.587 33.026 31.823 -0.641 0.000 1.001 93 V HN 0.545 8.638 8.190 -0.161 0.000 0.428 94 E N 7.440 127.660 120.200 0.034 0.000 2.216 94 E HA 0.585 5.146 4.350 0.076 -0.165 0.279 94 E C -1.167 175.501 176.600 0.113 0.000 0.997 94 E CA -1.246 55.196 56.400 0.070 0.000 0.817 94 E CB 2.524 32.248 29.700 0.041 0.000 1.096 94 E HN 0.340 8.719 8.360 0.031 0.000 0.393 95 L N 2.777 124.077 121.223 0.128 0.000 2.401 95 L HA 0.724 5.355 4.340 0.151 -0.200 0.266 95 L C -0.109 176.830 176.870 0.115 0.000 0.991 95 L CA -1.668 53.255 54.840 0.139 0.000 0.818 95 L CB 4.086 46.236 42.059 0.152 0.000 1.321 95 L HN 0.463 8.764 8.230 0.117 0.000 0.413 96 S N 1.131 116.915 115.700 0.140 0.000 2.605 96 S HA 0.007 4.535 4.470 0.096 0.000 0.217 96 S C -0.624 174.037 174.600 0.103 0.000 0.958 96 S CA 0.889 59.168 58.200 0.131 0.000 0.919 96 S CB 0.447 63.782 63.200 0.226 0.000 0.780 96 S HN 0.008 8.419 8.310 0.169 0.000 0.507 97 A N -0.123 122.748 122.820 0.085 0.000 2.581 97 A HA 0.240 4.590 4.320 0.051 0.000 0.290 97 A C -1.166 176.441 177.584 0.039 0.000 1.119 97 A CA -0.698 51.373 52.037 0.057 0.000 0.670 97 A CB 2.444 21.476 19.000 0.052 0.000 1.280 97 A HN -0.624 7.514 8.150 0.090 0.066 0.425 98 S N -2.110 113.603 115.700 0.021 0.000 2.754 98 S HA 0.023 4.587 4.470 -0.003 -0.095 0.223 98 S C -0.564 174.024 174.600 -0.021 0.000 0.951 98 S CA 0.587 58.787 58.200 0.000 0.000 0.954 98 S CB 0.215 63.416 63.200 0.001 0.000 0.780 98 S HN 0.273 8.596 8.310 0.021 0.000 0.509 99 E N 0.059 120.249 120.200 -0.016 0.000 2.321 99 E HA 0.210 4.674 4.350 -0.080 -0.163 0.281 99 E C -1.000 175.586 176.600 -0.024 0.000 0.910 99 E CA -1.158 55.212 56.400 -0.049 0.000 0.770 99 E CB 3.283 32.948 29.700 -0.059 0.000 1.225 99 E HN -0.756 7.531 8.360 0.003 0.075 0.417 100 V N 6.123 126.013 119.914 -0.040 0.000 2.673 100 V HA 0.024 4.191 4.120 0.078 0.000 0.303 100 V C -1.183 174.947 176.094 0.060 0.000 1.046 100 V CA -0.581 61.737 62.300 0.031 0.000 1.126 100 V CB -0.043 31.778 31.823 -0.004 0.000 0.934 100 V HN -0.087 8.049 8.190 -0.091 0.000 0.487 101 P HA -0.134 4.461 4.420 0.054 -0.143 0.268 101 P C -1.161 176.247 177.300 0.179 0.000 1.205 101 P CA -0.257 62.912 63.100 0.116 0.000 0.771 101 P CB 0.408 32.178 31.700 0.117 0.000 0.858 102 I N 2.715 123.340 120.570 0.092 0.000 2.617 102 I HA -0.168 4.110 4.170 0.181 0.000 0.256 102 I C 0.674 176.850 176.117 0.098 0.000 1.167 102 I CA -0.408 60.962 61.300 0.118 0.000 1.469 102 I CB 1.121 39.149 38.000 0.048 0.000 1.098 102 I HN 0.222 8.458 8.210 0.045 0.000 0.436 103 M N -2.466 117.146 119.600 0.020 0.000 7.319 103 M HA -0.482 3.952 4.480 -0.076 0.000 0.313 103 M C -0.145 176.113 176.300 -0.070 0.000 0.480 103 M CA 2.265 57.519 55.300 -0.077 0.000 1.311 103 M CB -2.607 29.844 32.600 -0.249 0.000 0.421 103 M HN -0.069 8.212 8.290 0.025 0.023 0.747 104 D N 1.126 121.462 120.400 -0.106 0.000 2.342 104 D HA -0.010 4.581 4.640 -0.081 0.000 0.221 104 D C 1.647 177.906 176.300 -0.067 0.000 1.101 104 D CA -0.700 53.245 54.000 -0.093 0.000 0.837 104 D CB 0.384 41.109 40.800 -0.125 0.000 0.938 104 D HN 0.002 8.281 8.370 -0.152 0.000 0.508 105 G N -0.305 108.489 108.800 -0.010 0.000 2.195 105 G HA2 -0.436 3.590 3.960 0.111 0.000 0.246 105 G HA3 -0.436 3.662 3.960 -0.032 -0.157 0.246 105 G C -0.483 174.391 174.900 -0.044 0.000 0.984 105 G CA 0.930 46.041 45.100 0.019 0.000 0.633 105 G HN 0.133 8.371 8.290 0.018 0.063 0.525 106 S N -0.095 115.576 115.700 -0.048 0.000 2.795 106 S HA 0.588 5.105 4.470 -0.089 -0.100 0.308 106 S C -0.872 173.758 174.600 0.050 0.000 1.098 106 S CA -1.854 56.312 58.200 -0.055 0.000 0.934 106 S CB 2.706 65.868 63.200 -0.063 0.000 1.300 106 S HN -0.450 8.066 8.310 -0.052 -0.238 0.566 107 A N -2.638 120.244 122.820 0.103 0.000 2.308 107 A HA 0.190 4.842 4.320 0.553 0.000 0.217 107 A C 1.101 178.800 177.584 0.192 0.000 1.216 107 A CA 0.290 52.513 52.037 0.310 0.000 0.864 107 A CB 0.381 19.595 19.000 0.357 0.000 0.902 107 A HN 0.164 8.344 8.150 0.049 0.000 0.499 108 G N -0.199 108.621 108.800 0.034 0.000 2.476 108 G HA2 -0.214 3.778 3.960 0.053 0.000 0.218 108 G HA3 -0.214 3.723 3.960 -0.039 0.000 0.218 108 G C -1.709 173.190 174.900 -0.002 0.000 1.164 108 G CA 3.061 48.167 45.100 0.009 0.000 0.768 108 G HN -0.099 8.137 8.290 -0.005 0.051 0.560 109 P HA -0.138 4.239 4.420 -0.071 0.000 0.218 109 P C 1.121 178.352 177.300 -0.114 0.000 1.149 109 P CA 2.529 65.502 63.100 -0.211 0.000 0.817 109 P CB -0.193 31.222 31.700 -0.476 0.000 0.785 110 F N -3.363 116.683 119.950 0.161 0.000 2.293 110 F HA -0.226 4.379 4.527 0.131 0.000 0.297 110 F C 1.993 177.876 175.800 0.138 0.000 1.089 110 F CA 3.462 61.548 58.000 0.143 0.000 1.377 110 F CB -0.142 38.940 39.000 0.138 0.000 1.051 110 F HN -0.803 7.322 8.300 -0.269 0.013 0.511 111 V N 0.598 120.699 119.914 0.312 0.000 2.332 111 V HA -0.592 3.667 4.120 0.231 0.000 0.248 111 V C 1.339 177.557 176.094 0.206 0.000 1.055 111 V CA 4.456 66.904 62.300 0.247 0.000 1.038 111 V CB -0.190 31.781 31.823 0.245 0.000 0.651 111 V HN -0.322 8.051 8.190 0.305 0.000 0.450 112 F N 0.863 120.851 119.950 0.064 0.000 2.095 112 F HA -0.322 4.227 4.527 0.037 0.000 0.298 112 F C 1.362 177.192 175.800 0.049 0.000 1.104 112 F CA 3.317 61.339 58.000 0.036 0.000 1.232 112 F CB 0.054 39.052 39.000 -0.003 0.000 0.987 112 F HN -0.398 8.099 8.300 0.330 0.000 0.475 113 L N -1.668 119.546 121.223 -0.015 0.000 2.017 113 L HA -0.522 3.656 4.340 -0.270 0.000 0.208 113 L C 2.300 179.112 176.870 -0.096 0.000 1.073 113 L CA 3.245 58.024 54.840 -0.102 0.000 0.745 113 L CB -0.419 41.702 42.059 0.103 0.000 0.894 113 L HN -0.615 7.719 8.230 0.174 0.000 0.432 114 I N -1.464 119.106 120.570 0.001 0.000 2.202 114 I HA -0.581 3.583 4.170 -0.011 0.000 0.242 114 I C 2.160 178.253 176.117 -0.039 0.000 1.091 114 I CA 4.361 65.660 61.300 -0.002 0.000 1.368 114 I CB -0.262 37.763 38.000 0.040 0.000 1.058 114 I HN -0.337 7.912 8.210 0.066 0.000 0.410 115 Q N -1.271 118.504 119.800 -0.041 0.000 2.167 115 Q HA -0.336 3.994 4.340 -0.018 0.000 0.202 115 Q C 2.938 178.870 176.000 -0.112 0.000 0.970 115 Q CA 2.980 58.756 55.803 -0.044 0.000 0.855 115 Q CB -0.156 28.586 28.738 0.006 0.000 0.911 115 Q HN -0.088 8.172 8.270 -0.018 0.000 0.438 116 S N -0.141 115.413 115.700 -0.243 0.000 2.371 116 S HA -0.197 4.136 4.470 -0.229 0.000 0.224 116 S C 1.296 175.803 174.600 -0.156 0.000 1.029 116 S CA 2.450 60.481 58.200 -0.282 0.000 0.978 116 S CB -0.265 62.602 63.200 -0.555 0.000 0.833 116 S HN -0.328 7.780 8.310 -0.313 0.015 0.466 117 A N -0.470 122.274 122.820 -0.126 0.000 1.933 117 A HA -0.157 4.123 4.320 -0.067 0.000 0.218 117 A C 0.138 177.692 177.584 -0.050 0.000 1.175 117 A CA 0.848 52.842 52.037 -0.071 0.000 0.628 117 A CB 0.479 19.448 19.000 -0.051 0.000 0.814 117 A HN -0.526 7.541 8.150 -0.139 0.000 0.444 118 G N -3.222 105.550 108.800 -0.047 0.000 2.663 118 G HA2 -0.300 3.646 3.960 -0.024 0.000 0.686 118 G HA3 -0.300 3.645 3.960 -0.025 0.000 0.686 118 G C -2.195 172.692 174.900 -0.021 0.000 1.246 118 G CA -0.660 44.423 45.100 -0.028 0.000 0.795 118 G HN -0.445 7.813 8.290 -0.054 0.000 0.627 119 L N 0.734 121.950 121.223 -0.013 0.000 2.317 119 L HA 0.466 4.922 4.340 -0.019 -0.127 0.281 119 L C -1.329 175.533 176.870 -0.013 0.000 1.024 119 L CA -0.713 54.120 54.840 -0.012 0.000 0.810 119 L CB 2.071 44.130 42.059 -0.001 0.000 1.240 119 L HN 0.128 8.353 8.230 -0.008 0.000 0.427 120 Q N 3.105 122.892 119.800 -0.021 0.000 2.333 120 Q HA 0.262 4.593 4.340 -0.014 0.000 0.268 120 Q C -1.402 174.583 176.000 -0.025 0.000 1.007 120 Q CA -2.063 53.728 55.803 -0.020 0.000 0.810 120 Q CB 2.540 31.264 28.738 -0.023 0.000 1.264 120 Q HN 0.484 8.737 8.270 -0.028 0.000 0.452 121 E N 6.032 126.222 120.200 -0.017 0.000 2.354 121 E HA 0.130 4.600 4.350 -0.026 -0.135 0.269 121 E C -0.191 176.395 176.600 -0.023 0.000 1.036 121 E CA -0.339 56.050 56.400 -0.018 0.000 0.876 121 E CB 0.480 30.177 29.700 -0.005 0.000 1.009 121 E HN 0.369 8.723 8.360 -0.010 0.000 0.416 122 Q N 2.437 122.218 119.800 -0.031 0.000 2.351 122 Q HA 0.234 4.558 4.340 -0.026 0.000 0.273 122 Q C -0.281 175.704 176.000 -0.024 0.000 1.077 122 Q CA -1.734 54.050 55.803 -0.031 0.000 0.843 122 Q CB 2.813 31.523 28.738 -0.047 0.000 1.367 122 Q HN 0.106 8.354 8.270 -0.036 0.000 0.449 123 E N 2.027 122.215 120.200 -0.020 0.000 2.261 123 E HA -0.004 4.341 4.350 -0.008 0.000 0.308 123 E C -1.618 174.972 176.600 -0.016 0.000 1.400 123 E CA -0.500 55.892 56.400 -0.013 0.000 1.542 123 E CB -1.754 27.940 29.700 -0.009 0.000 1.369 123 E HN 0.388 8.735 8.360 -0.021 0.000 0.493 124 A N -1.091 121.717 122.820 -0.020 0.000 2.566 124 A HA 0.205 4.515 4.320 -0.016 0.000 0.297 124 A C -2.602 174.970 177.584 -0.020 0.000 1.059 124 A CA -0.577 51.447 52.037 -0.023 0.000 0.691 124 A CB 3.502 22.480 19.000 -0.038 0.000 1.282 124 A HN -0.465 7.609 8.150 -0.022 0.063 0.401 125 A N 1.566 124.381 122.820 -0.008 0.000 2.488 125 A HA 0.062 4.543 4.320 0.033 -0.141 0.249 125 A C -0.251 177.322 177.584 -0.018 0.000 1.083 125 A CA -0.128 51.917 52.037 0.013 0.000 0.768 125 A CB 0.316 19.332 19.000 0.028 0.000 1.017 125 A HN 0.245 8.391 8.150 -0.008 0.000 0.496 126 K N 5.224 125.617 120.400 -0.011 0.000 2.379 126 K HA -0.034 4.170 4.320 -0.194 0.000 0.284 126 K C -0.512 176.011 176.600 -0.128 0.000 1.044 126 K CA 0.087 56.288 56.287 -0.143 0.000 0.974 126 K CB 0.747 33.114 32.500 -0.222 0.000 0.962 126 K HN -0.008 8.265 8.250 0.038 0.000 0.474 127 K N 3.946 124.201 120.400 -0.242 0.000 2.156 127 K HA 0.366 4.842 4.320 0.024 -0.142 0.271 127 K C -0.787 175.625 176.600 -0.314 0.000 0.995 127 K CA -0.654 55.553 56.287 -0.134 0.000 0.890 127 K CB 1.569 34.013 32.500 -0.094 0.000 1.073 127 K HN 0.086 8.170 8.250 -0.276 0.000 0.454 128 F N 0.685 120.650 119.950 0.025 0.000 2.546 128 F HA 0.454 5.133 4.527 0.018 -0.141 0.320 128 F C -0.485 175.343 175.800 0.046 0.000 1.076 128 F CA -1.599 56.434 58.000 0.055 0.000 0.928 128 F CB 4.088 43.200 39.000 0.186 0.000 1.189 128 F HN 0.330 8.833 8.300 0.339 0.000 0.465 129 I N 1.450 122.131 120.570 0.185 0.000 2.304 129 I HA 0.305 4.754 4.170 0.191 -0.164 0.291 129 I C -1.153 175.068 176.117 0.174 0.000 1.018 129 I CA -0.629 60.750 61.300 0.131 0.000 1.260 129 I CB 1.167 39.120 38.000 -0.078 0.000 1.390 129 I HN 0.518 8.813 8.210 0.140 0.000 0.475 130 R N 8.407 129.035 120.500 0.214 0.000 2.229 130 R HA 0.515 5.173 4.340 0.198 -0.200 0.328 130 R C -0.711 175.703 176.300 0.190 0.000 1.009 130 R CA -1.739 54.478 56.100 0.194 0.000 0.864 130 R CB 2.358 32.760 30.300 0.169 0.000 1.085 130 R HN 0.490 8.902 8.270 0.236 0.000 0.453 131 I N 7.683 128.350 120.570 0.162 0.000 2.517 131 I HA -0.127 4.260 4.170 0.170 -0.115 0.285 131 I C 0.086 176.302 176.117 0.164 0.000 1.106 131 I CA -0.283 61.113 61.300 0.159 0.000 1.402 131 I CB -1.635 36.458 38.000 0.155 0.000 1.399 131 I HN 0.147 8.457 8.210 0.167 0.000 0.535 132 K N 7.773 128.266 120.400 0.156 0.000 2.313 132 K HA -0.012 4.370 4.320 0.103 0.000 0.197 132 K C 0.164 176.827 176.600 0.106 0.000 1.061 132 K CA 0.921 57.274 56.287 0.111 0.000 0.980 132 K CB 1.203 33.746 32.500 0.071 0.000 0.888 132 K HN 0.515 8.761 8.250 0.178 0.110 0.502 133 R N -1.467 119.109 120.500 0.127 0.000 2.673 133 R HA 0.167 4.569 4.340 0.104 0.000 0.281 133 R C -2.003 174.388 176.300 0.151 0.000 0.991 133 R CA -1.034 55.136 56.100 0.117 0.000 0.896 133 R CB 2.292 32.649 30.300 0.095 0.000 1.201 133 R HN -0.792 7.567 8.270 0.149 0.000 0.457 134 E N 4.008 124.289 120.200 0.136 0.000 2.376 134 E HA -0.093 4.586 4.350 0.189 -0.215 0.266 134 E C -1.037 175.654 176.600 0.150 0.000 1.009 134 E CA 0.327 56.817 56.400 0.151 0.000 0.902 134 E CB 0.680 30.446 29.700 0.110 0.000 0.972 134 E HN 0.149 8.578 8.360 0.114 0.000 0.439 135 V N 6.918 126.949 119.914 0.194 0.000 2.656 135 V HA 0.308 4.514 4.120 0.143 0.000 0.307 135 V C -1.825 174.344 176.094 0.126 0.000 1.051 135 V CA -1.406 61.003 62.300 0.182 0.000 0.893 135 V CB 3.300 35.286 31.823 0.272 0.000 0.999 135 V HN 0.049 8.382 8.190 0.239 0.000 0.426 136 S N 4.551 120.296 115.700 0.075 0.000 2.564 136 S HA 0.969 5.599 4.470 -0.008 -0.165 0.274 136 S C -1.522 173.090 174.600 0.020 0.000 1.124 136 S CA -1.858 56.353 58.200 0.019 0.000 0.869 136 S CB 3.130 66.325 63.200 -0.008 0.000 1.105 136 S HN -0.045 8.310 8.310 0.077 0.000 0.472 137 V N -4.598 115.315 119.914 -0.002 0.000 3.078 137 V HA 0.685 4.814 4.120 0.015 0.000 0.311 137 V C -1.990 174.099 176.094 -0.007 0.000 1.138 137 V CA -2.075 60.231 62.300 0.009 0.000 1.007 137 V CB 3.592 35.433 31.823 0.030 0.000 1.045 137 V HN 0.419 8.595 8.190 -0.024 0.000 0.432 138 E N 1.380 121.578 120.200 -0.003 0.000 2.383 138 E HA 0.575 5.077 4.350 -0.015 -0.160 0.275 138 E C -1.683 174.917 176.600 -0.000 0.000 0.918 138 E CA -1.350 55.042 56.400 -0.013 0.000 0.764 138 E CB 3.839 33.520 29.700 -0.032 0.000 1.252 138 E HN 0.243 8.606 8.360 0.004 0.000 0.449 139 E N 2.831 123.030 120.200 -0.000 0.000 2.302 139 E HA 0.223 4.575 4.350 0.003 0.000 0.263 139 E C -0.154 176.443 176.600 -0.004 0.000 0.897 139 E CA -0.675 55.728 56.400 0.005 0.000 0.809 139 E CB 1.658 31.369 29.700 0.020 0.000 1.270 139 E HN 0.028 8.386 8.360 -0.004 0.000 0.410 140 G N 9.399 118.193 108.800 -0.011 0.000 2.591 140 G HA2 -0.377 3.570 3.960 -0.021 0.000 0.298 140 G HA3 -0.377 3.573 3.960 -0.016 0.000 0.298 140 G C -0.761 174.119 174.900 -0.034 0.000 1.195 140 G CA 1.617 46.706 45.100 -0.020 0.000 0.989 140 G HN 0.336 8.620 8.290 -0.010 0.000 0.551 141 D N 3.322 123.699 120.400 -0.038 0.000 2.328 141 D HA 0.008 4.607 4.640 -0.068 0.000 0.221 141 D C -0.445 175.824 176.300 -0.052 0.000 1.072 141 D CA -0.031 53.935 54.000 -0.057 0.000 0.850 141 D CB -0.296 40.466 40.800 -0.062 0.000 0.922 141 D HN 0.340 8.690 8.370 -0.033 0.000 0.516 142 K N 0.059 120.442 120.400 -0.028 0.000 2.143 142 K HA 0.263 4.764 4.320 -0.001 -0.182 0.272 142 K C -0.983 175.610 176.600 -0.011 0.000 1.001 142 K CA -0.344 55.939 56.287 -0.006 0.000 0.915 142 K CB 1.856 34.366 32.500 0.016 0.000 1.047 142 K HN -0.464 7.709 8.250 -0.022 0.064 0.458 143 R N 2.409 122.918 120.500 0.014 0.000 2.626 143 R HA 0.666 5.166 4.340 -0.019 -0.172 0.274 143 R C -2.737 173.569 176.300 0.011 0.000 1.031 143 R CA -0.861 55.244 56.100 0.009 0.000 0.898 143 R CB 4.507 34.774 30.300 -0.054 0.000 1.222 143 R HN 0.106 8.399 8.270 0.039 0.000 0.455 144 A N 4.909 127.686 122.820 -0.071 0.000 2.422 144 A HA 1.018 5.246 4.320 -0.430 -0.166 0.302 144 A C -2.735 174.670 177.584 -0.299 0.000 1.041 144 A CA -1.686 50.198 52.037 -0.254 0.000 0.708 144 A CB 3.844 22.788 19.000 -0.093 0.000 1.257 144 A HN 0.399 8.515 8.150 -0.056 0.000 0.414 145 V N 0.290 119.874 119.914 -0.549 0.000 2.808 145 V HA 0.704 4.884 4.120 -0.188 -0.174 0.308 145 V C -1.552 174.305 176.094 -0.395 0.000 1.099 145 V CA -1.824 60.282 62.300 -0.323 0.000 0.920 145 V CB 4.098 35.840 31.823 -0.135 0.000 1.014 145 V HN 0.218 7.851 8.190 -0.927 0.000 0.425 146 F N 5.251 125.210 119.950 0.014 0.000 2.420 146 F HA 0.670 5.452 4.527 0.115 -0.186 0.342 146 F C -0.377 175.479 175.800 0.093 0.000 1.113 146 F CA -1.534 56.526 58.000 0.100 0.000 1.059 146 F CB 2.846 41.945 39.000 0.165 0.000 1.128 146 F HN 0.339 8.703 8.300 0.108 0.000 0.475 147 V N 3.048 123.157 119.914 0.324 0.000 2.656 147 V HA 0.386 4.630 4.120 0.206 0.000 0.307 147 V C -2.414 173.842 176.094 0.269 0.000 1.051 147 V CA -3.865 58.573 62.300 0.229 0.000 0.893 147 V CB 2.308 34.221 31.823 0.150 0.000 0.999 147 V HN 0.707 9.114 8.190 0.361 0.000 0.426 148 P HA -0.064 4.613 4.420 0.242 -0.112 0.266 148 P C -1.644 175.853 177.300 0.329 0.000 1.195 148 P CA 0.516 63.758 63.100 0.238 0.000 0.768 148 P CB 0.195 31.996 31.700 0.168 0.000 0.838 149 F N 2.883 122.916 119.950 0.138 0.000 2.639 149 F HA 0.028 4.615 4.527 0.101 0.000 0.320 149 F C -1.792 174.084 175.800 0.128 0.000 1.128 149 F CA -1.443 56.631 58.000 0.124 0.000 1.037 149 F CB 3.555 42.637 39.000 0.137 0.000 1.288 149 F HN -0.539 7.957 8.300 0.326 0.000 0.463 150 D N 7.060 127.081 120.400 -0.632 0.000 2.608 150 D HA 0.089 4.609 4.640 -0.200 0.000 0.224 150 D C -1.152 174.796 176.300 -0.587 0.000 1.123 150 D CA -1.046 52.685 54.000 -0.447 0.000 1.030 150 D CB -1.231 39.371 40.800 -0.330 0.000 1.093 150 D HN 0.237 8.133 8.370 -0.789 0.000 0.497 151 G N 0.771 109.442 108.800 -0.216 0.000 2.356 151 G HA2 -0.105 4.050 3.960 0.078 0.000 0.266 151 G HA3 -0.105 3.897 3.960 0.070 0.000 0.266 151 G C -3.196 172.054 174.900 0.582 0.000 1.312 151 G CA -0.156 45.008 45.100 0.107 0.000 0.922 151 G HN -0.588 7.662 8.290 -0.018 0.030 0.480 152 F N 1.293 121.545 119.950 0.502 0.000 2.536 152 F HA 0.961 5.980 4.527 0.478 -0.205 0.322 152 F C -2.450 173.634 175.800 0.472 0.000 1.144 152 F CA -2.175 56.107 58.000 0.470 0.000 0.924 152 F CB 3.631 42.822 39.000 0.318 0.000 1.181 152 F HN 0.180 8.887 8.300 0.678 0.000 0.438 153 K N 7.763 127.992 120.400 -0.284 0.000 2.501 153 K HA 0.870 5.179 4.320 -0.358 -0.204 0.252 153 K C -2.569 173.781 176.600 -0.416 0.000 0.934 153 K CA -1.569 54.451 56.287 -0.444 0.000 0.797 153 K CB 4.856 36.885 32.500 -0.784 0.000 1.270 153 K HN 0.097 8.227 8.250 -0.200 0.000 0.431 154 V N 6.458 126.210 119.914 -0.270 0.000 2.483 154 V HA 0.513 4.830 4.120 0.067 -0.157 0.297 154 V C -1.555 174.531 176.094 -0.012 0.000 1.027 154 V CA -1.194 61.092 62.300 -0.022 0.000 0.855 154 V CB 2.796 34.688 31.823 0.115 0.000 0.995 154 V HN 0.165 8.182 8.190 -0.288 0.000 0.424 155 S N 7.084 122.797 115.700 0.022 0.000 2.532 155 S HA 0.941 5.567 4.470 -0.043 -0.183 0.301 155 S C -1.565 173.025 174.600 -0.017 0.000 1.083 155 S CA -1.285 56.880 58.200 -0.058 0.000 1.025 155 S CB 2.992 66.082 63.200 -0.183 0.000 1.056 155 S HN 0.704 9.050 8.310 0.059 0.000 0.494 156 F N 2.939 122.790 119.950 -0.166 0.000 2.628 156 F HA 0.474 5.018 4.527 -0.300 -0.197 0.309 156 F C -2.675 173.021 175.800 -0.173 0.000 1.108 156 F CA -0.465 57.429 58.000 -0.177 0.000 0.971 156 F CB 5.329 44.323 39.000 -0.010 0.000 1.279 156 F HN 0.643 8.973 8.300 0.051 0.000 0.441 157 E N 5.255 125.371 120.200 -0.139 0.000 2.256 157 E HA 0.789 5.373 4.350 0.112 -0.167 0.268 157 E C -1.796 174.878 176.600 0.123 0.000 0.877 157 E CA -2.284 54.133 56.400 0.028 0.000 0.757 157 E CB 4.181 33.867 29.700 -0.025 0.000 1.183 157 E HN 0.201 8.213 8.360 -0.579 0.000 0.418 158 I N 0.713 121.363 120.570 0.133 0.000 2.822 158 I HA 0.574 4.703 4.170 -0.068 0.000 0.312 158 I C -1.234 174.761 176.117 -0.204 0.000 1.011 158 I CA -1.870 59.394 61.300 -0.060 0.000 1.105 158 I CB 2.076 40.032 38.000 -0.073 0.000 1.291 158 I HN 0.177 8.473 8.210 0.143 0.000 0.474 159 D N 1.318 121.441 120.400 -0.461 0.000 3.100 159 D HA 0.176 4.701 4.640 -0.193 0.000 0.350 159 D C -1.733 174.325 176.300 -0.403 0.000 1.310 159 D CA -0.739 53.072 54.000 -0.315 0.000 0.741 159 D CB -0.236 40.445 40.800 -0.199 0.000 1.248 159 D HN 0.003 7.922 8.370 -0.752 0.000 0.527 160 F N 0.074 119.853 119.950 -0.285 0.000 2.443 160 F HA -0.095 4.212 4.527 -0.367 0.000 0.353 160 F C -0.325 175.323 175.800 -0.253 0.000 1.101 160 F CA 0.801 58.578 58.000 -0.372 0.000 1.226 160 F CB 0.651 39.270 39.000 -0.635 0.000 1.140 160 F HN -0.406 7.917 8.300 -0.485 -0.314 0.557 161 D N 0.777 121.074 120.400 -0.170 0.000 2.369 161 D HA 0.022 4.649 4.640 -0.022 0.000 0.211 161 D C -0.857 175.410 176.300 -0.054 0.000 1.077 161 D CA -0.067 53.868 54.000 -0.109 0.000 0.842 161 D CB 0.167 40.885 40.800 -0.136 0.000 0.947 161 D HN 0.138 8.298 8.370 -0.349 0.000 0.509 162 H N 0.098 119.276 119.070 0.181 0.000 2.871 162 H HA 0.047 4.666 4.556 0.106 0.000 0.355 162 H C 0.092 175.523 175.328 0.173 0.000 1.092 162 H CA -0.772 55.375 56.048 0.164 0.000 1.420 162 H CB -0.809 29.075 29.762 0.204 0.000 1.400 162 H HN -0.343 7.708 8.280 -0.382 0.000 0.604 163 P HA -0.221 4.268 4.420 0.115 0.000 0.216 163 P C 1.444 178.808 177.300 0.107 0.000 1.150 163 P CA 2.721 65.901 63.100 0.134 0.000 0.843 163 P CB 0.348 32.103 31.700 0.091 0.000 0.787 164 V N -2.322 117.648 119.914 0.093 0.000 2.568 164 V HA -0.389 3.800 4.120 -0.075 -0.114 0.253 164 V C 0.431 176.405 176.094 -0.200 0.000 1.072 164 V CA 2.772 65.026 62.300 -0.077 0.000 1.084 164 V CB 0.032 31.752 31.823 -0.172 0.000 0.676 164 V HN -0.077 8.186 8.190 0.144 0.013 0.469 165 F N -3.465 116.493 119.950 0.014 0.000 2.749 165 F HA 0.063 4.558 4.527 -0.054 0.000 0.300 165 F C -0.121 175.703 175.800 0.039 0.000 1.103 165 F CA -0.103 57.899 58.000 0.003 0.000 1.342 165 F CB 0.422 39.464 39.000 0.070 0.000 1.098 165 F HN -0.595 7.871 8.300 0.324 0.029 0.586 166 R N 1.286 121.892 120.500 0.176 0.000 2.484 166 R HA -0.182 4.239 4.340 0.134 0.000 0.293 166 R C 0.680 177.032 176.300 0.088 0.000 1.023 166 R CA 2.123 58.296 56.100 0.122 0.000 1.037 166 R CB 0.047 30.399 30.300 0.086 0.000 0.951 166 R HN -0.593 7.607 8.270 0.151 0.161 0.418 167 G N 4.706 113.558 108.800 0.086 0.000 2.225 167 G HA2 -0.281 3.714 3.960 0.059 0.000 0.254 167 G HA3 -0.281 3.711 3.960 0.053 0.000 0.254 167 G C -0.096 174.852 174.900 0.080 0.000 0.988 167 G CA -0.291 44.849 45.100 0.067 0.000 0.625 167 G HN 0.308 8.652 8.290 0.090 0.000 0.527 168 R N 0.528 121.097 120.500 0.115 0.000 2.641 168 R HA -0.079 4.325 4.340 0.108 0.000 0.269 168 R C 0.702 177.090 176.300 0.148 0.000 1.074 168 R CA 0.141 56.325 56.100 0.140 0.000 1.133 168 R CB 0.376 30.794 30.300 0.196 0.000 1.029 168 R HN -0.556 7.719 8.270 0.134 0.075 0.488 169 T N 3.112 117.746 114.554 0.132 0.000 2.684 169 T HA -0.194 4.207 4.350 0.084 0.000 0.267 169 T C 0.686 175.461 174.700 0.125 0.000 1.036 169 T CA 1.983 64.147 62.100 0.106 0.000 1.148 169 T CB 0.337 69.255 68.868 0.084 0.000 0.863 169 T HN 0.323 8.641 8.240 0.130 0.000 0.436 170 Q N -2.237 117.670 119.800 0.179 0.000 2.468 170 Q HA -0.274 4.206 4.340 0.232 0.000 0.256 170 Q C -1.735 174.345 176.000 0.134 0.000 0.984 170 Q CA 1.000 56.911 55.803 0.180 0.000 1.110 170 Q CB -0.993 27.832 28.738 0.145 0.000 1.527 170 Q HN 0.241 8.639 8.270 0.212 0.000 0.535 171 Q N -3.344 116.525 119.800 0.114 0.000 2.426 171 Q HA 0.723 5.332 4.340 0.107 -0.204 0.278 171 Q C -2.727 173.308 176.000 0.059 0.000 1.007 171 Q CA -0.667 55.187 55.803 0.084 0.000 0.850 171 Q CB 3.280 32.048 28.738 0.050 0.000 1.427 171 Q HN -0.617 7.674 8.270 0.111 0.045 0.391 172 A N 2.935 125.781 122.820 0.044 0.000 2.574 172 A HA 0.350 4.659 4.320 -0.019 0.000 0.297 172 A C -2.889 174.673 177.584 -0.036 0.000 1.062 172 A CA -0.252 51.783 52.037 -0.003 0.000 0.686 172 A CB 3.261 22.257 19.000 -0.007 0.000 1.285 172 A HN 0.390 8.577 8.150 0.060 0.000 0.403 173 S N 1.400 117.049 115.700 -0.085 0.000 2.733 173 S HA 0.327 4.847 4.470 -0.127 -0.127 0.307 173 S C -0.708 173.771 174.600 -0.200 0.000 1.127 173 S CA -1.074 57.045 58.200 -0.133 0.000 1.097 173 S CB 0.514 63.637 63.200 -0.128 0.000 1.003 173 S HN 0.251 8.508 8.310 -0.088 0.000 0.477 174 V N 8.693 128.440 119.914 -0.279 0.000 2.311 174 V HA 0.040 3.918 4.120 -0.404 0.000 0.275 174 V C -1.966 173.776 176.094 -0.588 0.000 1.022 174 V CA -0.444 61.573 62.300 -0.471 0.000 0.830 174 V CB 1.125 32.570 31.823 -0.630 0.000 1.012 174 V HN 0.702 8.743 8.190 -0.248 0.000 0.452 175 D N 7.594 127.742 120.400 -0.419 0.000 2.347 175 D HA 0.156 4.665 4.640 -0.219 0.000 0.235 175 D C 0.287 176.455 176.300 -0.220 0.000 1.149 175 D CA -1.249 52.607 54.000 -0.241 0.000 0.850 175 D CB 0.815 41.578 40.800 -0.062 0.000 1.061 175 D HN 0.434 8.604 8.370 -0.334 0.000 0.487 176 F N 6.410 126.388 119.950 0.045 0.000 2.816 176 F HA 0.122 4.806 4.527 0.054 -0.124 0.302 176 F C 0.576 176.418 175.800 0.070 0.000 1.178 176 F CA 0.896 58.942 58.000 0.077 0.000 1.421 176 F CB -0.473 38.619 39.000 0.154 0.000 1.114 176 F HN 0.186 8.610 8.300 0.207 0.000 0.573 177 S N -0.273 115.537 115.700 0.184 0.000 2.382 177 S HA -0.173 4.363 4.470 0.110 0.000 0.228 177 S C 0.820 175.462 174.600 0.071 0.000 1.027 177 S CA 2.703 60.972 58.200 0.115 0.000 0.991 177 S CB 0.567 63.827 63.200 0.101 0.000 0.823 177 S HN -0.264 8.410 8.310 0.181 -0.255 0.469 178 S N -2.777 112.948 115.700 0.041 0.000 3.009 178 S HA 0.167 4.651 4.470 0.024 0.000 0.254 178 S C -0.556 174.035 174.600 -0.016 0.000 1.004 178 S CA -0.135 58.072 58.200 0.012 0.000 1.119 178 S CB 1.524 64.722 63.200 -0.002 0.000 1.075 178 S HN -0.559 7.740 8.310 0.023 0.024 0.618 179 T N 3.440 117.981 114.554 -0.021 0.000 2.848 179 T HA 0.260 4.716 4.350 -0.053 -0.137 0.285 179 T C -1.340 173.433 174.700 0.122 0.000 0.995 179 T CA -0.043 62.024 62.100 -0.055 0.000 0.970 179 T CB 2.737 71.436 68.868 -0.281 0.000 0.976 179 T HN -0.793 7.451 8.240 0.007 0.000 0.441 180 S N 6.221 121.987 115.700 0.110 0.000 2.439 180 S HA 0.199 4.815 4.470 0.243 0.000 0.282 180 S C 0.363 175.127 174.600 0.273 0.000 1.170 180 S CA -1.890 56.426 58.200 0.192 0.000 1.054 180 S CB 0.592 63.855 63.200 0.105 0.000 0.956 180 S HN -0.071 8.527 8.310 0.042 -0.262 0.490 181 F N 8.794 128.923 119.950 0.298 0.000 2.091 181 F HA -0.339 4.449 4.527 0.434 0.000 0.299 181 F C 0.088 175.981 175.800 0.155 0.000 1.103 181 F CA 3.592 61.757 58.000 0.275 0.000 1.228 181 F CB 0.168 39.210 39.000 0.070 0.000 0.984 181 F HN 0.821 9.464 8.300 0.572 0.000 0.477 182 V N -1.439 118.592 119.914 0.195 0.000 2.261 182 V HA -0.690 3.446 4.120 0.027 0.000 0.246 182 V C 1.571 177.667 176.094 0.003 0.000 1.047 182 V CA 3.796 66.145 62.300 0.082 0.000 1.015 182 V CB -0.102 31.822 31.823 0.169 0.000 0.642 182 V HN -0.221 8.160 8.190 0.320 0.000 0.446 183 K N -3.696 116.726 120.400 0.037 0.000 2.228 183 K HA -0.202 4.156 4.320 0.064 0.000 0.202 183 K C 1.212 177.815 176.600 0.005 0.000 1.051 183 K CA 2.231 58.542 56.287 0.040 0.000 0.960 183 K CB 0.368 32.890 32.500 0.037 0.000 0.743 183 K HN -0.636 7.651 8.250 0.061 0.000 0.458 184 E N -5.089 115.042 120.200 -0.115 0.000 2.539 184 E HA 0.121 4.142 4.350 -0.549 0.000 0.215 184 E C 0.200 176.477 176.600 -0.538 0.000 0.965 184 E CA 0.536 56.707 56.400 -0.380 0.000 1.019 184 E CB 2.052 31.588 29.700 -0.273 0.000 1.059 184 E HN -0.420 7.887 8.360 -0.088 0.000 0.496 185 V N -0.167 119.572 119.914 -0.292 0.000 3.159 185 V HA 0.072 4.083 4.120 -0.182 0.000 0.234 185 V C 1.314 177.284 176.094 -0.207 0.000 1.313 185 V CA 2.459 64.612 62.300 -0.246 0.000 1.271 185 V CB 1.594 33.280 31.823 -0.228 0.000 1.053 185 V HN -0.329 7.697 8.190 -0.272 0.000 0.476 186 S N 1.933 117.336 115.700 -0.496 0.000 2.419 186 S HA -0.251 3.897 4.470 -0.536 0.000 0.233 186 S C 1.016 175.560 174.600 -0.093 0.000 1.016 186 S CA 3.564 61.501 58.200 -0.439 0.000 0.974 186 S CB -0.618 62.338 63.200 -0.407 0.000 0.786 186 S HN -0.005 7.967 8.310 -0.562 0.000 0.492 187 R N 0.257 120.755 120.500 -0.004 0.000 2.334 187 R HA 0.173 4.453 4.340 -0.099 0.000 0.220 187 R C -0.847 175.328 176.300 -0.207 0.000 0.917 187 R CA -0.929 55.101 56.100 -0.117 0.000 1.073 187 R CB -0.218 29.970 30.300 -0.188 0.000 1.056 187 R HN -0.691 7.622 8.270 0.117 0.027 0.506 188 A N 0.202 123.019 122.820 -0.005 0.000 2.451 188 A HA -0.038 4.323 4.320 -0.159 -0.136 0.266 188 A C -0.668 176.969 177.584 0.088 0.000 1.119 188 A CA -0.334 51.721 52.037 0.030 0.000 0.786 188 A CB 0.264 19.415 19.000 0.251 0.000 1.061 188 A HN -0.426 7.742 8.150 0.128 0.059 0.503 189 R N 5.066 125.519 120.500 -0.077 0.000 2.531 189 R HA -0.029 4.365 4.340 -0.127 -0.129 0.273 189 R C -0.048 176.018 176.300 -0.389 0.000 1.070 189 R CA -0.285 55.723 56.100 -0.154 0.000 1.112 189 R CB 1.294 31.487 30.300 -0.178 0.000 1.049 189 R HN 0.116 8.644 8.270 -0.161 -0.355 0.508 190 T N -0.232 113.926 114.554 -0.660 0.000 2.855 190 T HA -0.198 3.165 4.350 -1.645 0.000 0.314 190 T C -1.072 173.495 174.700 -0.221 0.000 1.077 190 T CA 1.567 63.168 62.100 -0.831 0.000 1.095 190 T CB 1.067 69.743 68.868 -0.319 0.000 0.987 190 T HN -0.195 7.678 8.240 -0.437 0.106 0.546 191 F N -0.496 119.337 119.950 -0.195 0.000 2.626 191 F HA 1.141 5.809 4.527 -0.090 -0.194 0.311 191 F C -1.511 174.268 175.800 -0.034 0.000 1.088 191 F CA -3.383 54.578 58.000 -0.065 0.000 0.949 191 F CB 3.507 42.567 39.000 0.101 0.000 1.322 191 F HN -0.045 7.918 8.300 -0.561 0.000 0.461 192 G N -0.914 107.921 108.800 0.059 0.000 2.733 192 G HA2 0.260 4.213 3.960 -0.013 0.000 0.297 192 G HA3 0.260 4.232 3.960 0.019 0.000 0.297 192 G C -2.786 172.070 174.900 -0.074 0.000 1.422 192 G CA -0.484 44.613 45.100 -0.005 0.000 0.942 192 G HN 0.155 8.507 8.290 0.103 0.000 0.510 193 F N 1.289 121.288 119.950 0.082 0.000 2.412 193 F HA 0.347 5.076 4.527 0.003 -0.200 0.348 193 F C 1.520 177.326 175.800 0.010 0.000 1.102 193 F CA 0.071 58.077 58.000 0.010 0.000 1.196 193 F CB 1.188 40.150 39.000 -0.063 0.000 1.144 193 F HN 0.326 8.819 8.300 0.321 0.000 0.541 194 M N 3.605 123.294 119.600 0.149 0.000 2.106 194 M HA -0.534 3.992 4.480 0.076 0.000 0.259 194 M C 1.841 178.203 176.300 0.103 0.000 1.068 194 M CA 5.504 60.860 55.300 0.094 0.000 1.100 194 M CB -0.551 32.085 32.600 0.059 0.000 1.351 194 M HN 0.128 8.498 8.290 0.133 0.000 0.404 195 R N -3.072 117.489 120.500 0.103 0.000 2.096 195 R HA -0.313 4.070 4.340 0.072 0.000 0.235 195 R C 1.534 177.902 176.300 0.114 0.000 1.127 195 R CA 3.007 59.153 56.100 0.077 0.000 0.968 195 R CB -1.217 29.098 30.300 0.024 0.000 0.861 195 R HN 0.175 8.511 8.270 0.110 0.000 0.440 196 D N 0.771 121.257 120.400 0.143 0.000 2.123 196 D HA -0.145 4.596 4.640 0.170 0.000 0.200 196 D C 2.338 178.745 176.300 0.178 0.000 0.976 196 D CA 2.894 56.997 54.000 0.172 0.000 0.831 196 D CB -0.316 40.600 40.800 0.194 0.000 0.974 196 D HN -0.662 7.808 8.370 0.167 0.000 0.469 197 I N 0.224 120.879 120.570 0.140 0.000 2.226 197 I HA -0.570 3.658 4.170 0.097 0.000 0.245 197 I C 1.726 177.898 176.117 0.091 0.000 1.100 197 I CA 4.291 65.652 61.300 0.102 0.000 1.374 197 I CB -0.048 37.998 38.000 0.076 0.000 1.057 197 I HN -0.226 8.069 8.210 0.142 0.000 0.413 198 E N -0.245 120.015 120.200 0.101 0.000 2.077 198 E HA -0.432 3.955 4.350 0.061 0.000 0.193 198 E C 2.353 179.022 176.600 0.114 0.000 0.989 198 E CA 3.217 59.670 56.400 0.089 0.000 0.800 198 E CB -0.302 29.451 29.700 0.087 0.000 0.746 198 E HN -0.048 8.376 8.360 0.105 0.000 0.452 199 Y N 0.966 121.280 120.300 0.024 0.000 2.181 199 Y HA -0.316 4.243 4.550 0.015 0.000 0.288 199 Y C 1.849 177.757 175.900 0.014 0.000 1.146 199 Y CA 2.978 61.089 58.100 0.018 0.000 1.164 199 Y CB -0.001 38.471 38.460 0.019 0.000 0.982 199 Y HN -0.693 7.750 8.280 0.271 0.000 0.515 200 L N -1.806 119.404 121.223 -0.022 0.000 1.994 200 L HA -0.471 3.745 4.340 -0.206 0.000 0.208 200 L C 2.683 179.488 176.870 -0.108 0.000 1.071 200 L CA 3.208 57.984 54.840 -0.106 0.000 0.745 200 L CB -0.395 41.662 42.059 -0.004 0.000 0.892 200 L HN -0.387 7.906 8.230 0.105 0.000 0.431 201 R N -1.730 118.745 120.500 -0.042 0.000 2.120 201 R HA -0.218 4.303 4.340 -0.030 -0.199 0.234 201 R C 3.316 179.584 176.300 -0.054 0.000 1.123 201 R CA 3.009 59.090 56.100 -0.032 0.000 0.975 201 R CB -0.109 30.190 30.300 -0.002 0.000 0.866 201 R HN 0.130 8.396 8.270 -0.008 0.000 0.446 202 S N 0.686 116.342 115.700 -0.073 0.000 2.442 202 S HA -0.173 4.272 4.470 -0.042 0.000 0.236 202 S C 0.900 175.432 174.600 -0.114 0.000 1.007 202 S CA 2.879 61.035 58.200 -0.074 0.000 0.965 202 S CB -0.656 62.514 63.200 -0.050 0.000 0.773 202 S HN -0.127 8.124 8.310 -0.072 0.016 0.504 203 Q N -0.277 119.416 119.800 -0.177 0.000 2.280 203 Q HA 0.097 4.353 4.340 -0.140 0.000 0.201 203 Q C -0.587 175.351 176.000 -0.104 0.000 0.890 203 Q CA -0.663 55.039 55.803 -0.168 0.000 0.947 203 Q CB 0.313 28.893 28.738 -0.263 0.000 1.081 203 Q HN -0.637 7.364 8.270 -0.208 0.144 0.502 204 N N -2.422 116.232 118.700 -0.076 0.000 2.776 204 N HA -0.461 4.258 4.740 -0.035 0.000 0.249 204 N C -1.466 174.019 175.510 -0.041 0.000 1.111 204 N CA 1.397 54.420 53.050 -0.046 0.000 0.711 204 N CB -1.287 37.179 38.487 -0.036 0.000 1.065 204 N HN -0.262 7.892 8.380 -0.076 0.180 0.556 205 L N -4.092 117.099 121.223 -0.053 0.000 2.298 205 L HA 0.349 4.679 4.340 -0.017 0.000 0.268 205 L C 0.120 176.991 176.870 0.001 0.000 1.010 205 L CA -1.704 53.115 54.840 -0.035 0.000 0.812 205 L CB 1.793 43.805 42.059 -0.079 0.000 1.331 205 L HN -0.438 7.749 8.230 -0.071 0.000 0.450 206 A N -3.900 118.949 122.820 0.048 0.000 2.799 206 A HA -0.344 4.197 4.320 0.144 -0.134 0.287 206 A C 0.930 178.545 177.584 0.051 0.000 1.484 206 A CA 1.187 53.273 52.037 0.083 0.000 0.813 206 A CB -2.071 16.967 19.000 0.064 0.000 1.009 206 A HN 0.604 8.792 8.150 0.063 0.000 0.545 207 L N -3.315 117.933 121.223 0.042 0.000 2.275 207 L HA -0.216 4.133 4.340 0.015 0.000 0.215 207 L C 1.654 178.534 176.870 0.017 0.000 1.119 207 L CA 1.707 56.560 54.840 0.022 0.000 0.790 207 L CB -0.617 41.451 42.059 0.016 0.000 0.919 207 L HN -0.545 7.706 8.230 0.050 0.009 0.443 208 G N -2.611 106.203 108.800 0.023 0.000 2.880 208 G HA2 0.013 3.975 3.960 0.002 0.000 0.209 208 G HA3 0.013 4.185 3.960 0.004 -0.209 0.209 208 G C -0.136 174.768 174.900 0.008 0.000 1.157 208 G CA -0.473 44.632 45.100 0.008 0.000 0.779 208 G HN -0.284 7.901 8.290 0.036 0.127 0.539 209 G N 1.463 110.274 108.800 0.019 0.000 2.491 209 G HA2 0.037 4.152 3.960 0.013 0.000 0.242 209 G HA3 0.037 4.012 3.960 0.025 0.000 0.242 209 G C -1.972 172.930 174.900 0.004 0.000 1.266 209 G CA -0.069 45.041 45.100 0.016 0.000 0.844 209 G HN -0.663 7.600 8.290 0.029 0.044 0.571 210 S N 0.396 116.094 115.700 -0.004 0.000 2.615 210 S HA 0.259 4.725 4.470 -0.008 0.000 0.269 210 S C 1.033 175.622 174.600 -0.019 0.000 1.161 210 S CA -1.384 56.809 58.200 -0.012 0.000 0.817 210 S CB 3.061 66.251 63.200 -0.017 0.000 1.131 210 S HN -0.169 8.408 8.310 -0.006 -0.270 0.467 211 V N -6.390 113.510 119.914 -0.023 0.000 3.078 211 V HA 0.075 4.176 4.120 -0.032 0.000 0.265 211 V C -0.401 175.666 176.094 -0.045 0.000 1.122 211 V CA 1.632 63.912 62.300 -0.033 0.000 1.141 211 V CB -0.163 31.640 31.823 -0.033 0.000 0.735 211 V HN 0.469 8.646 8.190 -0.021 0.000 0.498 212 E N -2.701 117.474 120.200 -0.043 0.000 2.481 212 E HA 0.053 4.367 4.350 -0.060 0.000 0.195 212 E C 0.283 176.848 176.600 -0.058 0.000 1.047 212 E CA 0.754 57.122 56.400 -0.053 0.000 0.867 212 E CB 0.124 29.795 29.700 -0.048 0.000 0.858 212 E HN -0.355 7.924 8.360 -0.036 0.059 0.513 213 N N -4.400 114.271 118.700 -0.048 0.000 2.167 213 N HA 0.089 4.924 4.740 -0.059 -0.130 0.234 213 N C -1.812 173.672 175.510 -0.043 0.000 1.312 213 N CA -0.805 52.218 53.050 -0.046 0.000 0.861 213 N CB 1.712 40.182 38.487 -0.028 0.000 1.217 213 N HN -0.553 7.759 8.380 -0.040 0.043 0.504 214 A N -2.020 120.771 122.820 -0.049 0.000 2.589 214 A HA 0.411 4.808 4.320 -0.064 -0.116 0.296 214 A C -2.678 174.877 177.584 -0.049 0.000 1.062 214 A CA -0.522 51.486 52.037 -0.047 0.000 0.686 214 A CB 2.580 21.568 19.000 -0.020 0.000 1.282 214 A HN -0.806 7.314 8.150 -0.050 0.000 0.404 215 I N 1.438 121.982 120.570 -0.043 0.000 2.471 215 I HA -0.055 4.266 4.170 -0.064 -0.189 0.286 215 I C -0.659 175.472 176.117 0.023 0.000 1.079 215 I CA 0.579 61.860 61.300 -0.032 0.000 1.398 215 I CB 0.617 38.579 38.000 -0.063 0.000 1.403 215 I HN 0.057 8.240 8.210 -0.044 0.000 0.530 216 V N 7.741 127.650 119.914 -0.008 0.000 2.417 216 V HA 0.623 4.914 4.120 -0.007 -0.175 0.291 216 V C -0.933 175.139 176.094 -0.036 0.000 1.024 216 V CA -1.455 60.838 62.300 -0.012 0.000 0.861 216 V CB 1.614 33.430 31.823 -0.011 0.000 0.985 216 V HN 0.283 8.754 8.190 -0.025 -0.296 0.436 217 V N 2.334 122.194 119.914 -0.089 0.000 2.823 217 V HA 0.966 5.178 4.120 -0.085 -0.143 0.312 217 V C -1.485 174.576 176.094 -0.055 0.000 1.072 217 V CA -3.273 58.953 62.300 -0.124 0.000 0.937 217 V CB 3.299 34.949 31.823 -0.289 0.000 1.013 217 V HN 0.149 8.266 8.190 -0.122 0.000 0.430 218 D N 4.051 124.441 120.400 -0.017 0.000 2.560 218 D HA 0.140 4.820 4.640 0.067 0.000 0.277 218 D C 0.195 176.520 176.300 0.041 0.000 1.194 218 D CA -1.073 52.946 54.000 0.031 0.000 1.092 218 D CB 1.237 42.047 40.800 0.016 0.000 1.169 218 D HN -0.280 8.071 8.370 -0.032 0.000 0.607 219 E N -2.724 117.492 120.200 0.026 0.000 2.265 219 E HA -0.222 4.135 4.350 0.012 0.000 0.196 219 E C 0.376 177.017 176.600 0.067 0.000 0.996 219 E CA 3.173 59.595 56.400 0.037 0.000 0.832 219 E CB 0.192 29.916 29.700 0.039 0.000 0.756 219 E HN 0.309 8.681 8.360 0.020 0.000 0.491 220 N N -3.822 114.894 118.700 0.027 0.000 2.297 220 N HA 0.180 4.938 4.740 0.030 0.000 0.208 220 N C 0.060 175.556 175.510 -0.022 0.000 1.176 220 N CA 0.834 53.892 53.050 0.014 0.000 0.882 220 N CB 2.935 41.431 38.487 0.015 0.000 1.134 220 N HN -0.240 8.413 8.380 0.015 -0.264 0.489 221 R N -1.103 119.374 120.500 -0.039 0.000 2.771 221 R HA 0.391 4.696 4.340 -0.058 0.000 0.274 221 R C -2.571 173.685 176.300 -0.074 0.000 0.987 221 R CA -1.352 54.717 56.100 -0.053 0.000 0.908 221 R CB 4.717 34.997 30.300 -0.033 0.000 1.213 221 R HN 0.031 8.573 8.270 -0.032 -0.291 0.468 222 V N 2.348 122.220 119.914 -0.071 0.000 2.455 222 V HA -0.170 3.919 4.120 -0.053 0.000 0.273 222 V C -0.128 175.938 176.094 -0.047 0.000 1.045 222 V CA 0.834 63.102 62.300 -0.053 0.000 0.976 222 V CB 0.038 31.836 31.823 -0.042 0.000 0.993 222 V HN 0.320 8.469 8.190 -0.069 0.000 0.475 223 L N 4.902 126.100 121.223 -0.042 0.000 2.270 223 L HA -0.009 4.311 4.340 -0.032 0.000 0.210 223 L C 0.583 177.430 176.870 -0.040 0.000 1.104 223 L CA -0.019 54.800 54.840 -0.035 0.000 0.804 223 L CB -0.577 41.466 42.059 -0.026 0.000 0.937 223 L HN 0.424 8.629 8.230 -0.041 0.000 0.450 224 N N -0.294 118.376 118.700 -0.050 0.000 2.412 224 N HA -0.190 4.519 4.740 -0.052 0.000 0.258 224 N C 0.719 176.194 175.510 -0.058 0.000 1.236 224 N CA 0.587 53.602 53.050 -0.058 0.000 0.882 224 N CB 0.242 38.682 38.487 -0.078 0.000 1.066 224 N HN -0.323 8.025 8.380 -0.053 0.000 0.465 225 E N 2.407 122.576 120.200 -0.052 0.000 2.070 225 E HA -0.351 3.974 4.350 -0.042 0.000 0.197 225 E C 0.230 176.798 176.600 -0.054 0.000 1.004 225 E CA 2.494 58.866 56.400 -0.048 0.000 0.805 225 E CB 0.132 29.806 29.700 -0.044 0.000 0.744 225 E HN 0.515 8.845 8.360 -0.050 0.000 0.451 226 D N -2.160 118.201 120.400 -0.065 0.000 2.342 226 D HA 0.165 4.768 4.640 -0.061 0.000 0.221 226 D C -0.198 176.052 176.300 -0.083 0.000 1.101 226 D CA -0.431 53.527 54.000 -0.070 0.000 0.837 226 D CB -0.138 40.617 40.800 -0.075 0.000 0.938 226 D HN -0.109 8.219 8.370 -0.070 0.000 0.508 227 G N 0.077 108.825 108.800 -0.087 0.000 2.547 227 G HA2 -0.358 3.545 3.960 -0.096 0.000 0.271 227 G HA3 -0.358 3.549 3.960 -0.089 0.000 0.271 227 G C -1.718 173.096 174.900 -0.143 0.000 1.209 227 G CA -0.255 44.784 45.100 -0.100 0.000 0.959 227 G HN -0.507 7.675 8.290 -0.080 0.060 0.563 228 L N 0.121 121.250 121.223 -0.156 0.000 2.344 228 L HA 0.394 4.670 4.340 -0.262 -0.093 0.272 228 L C 0.998 177.749 176.870 -0.198 0.000 1.035 228 L CA -0.843 53.867 54.840 -0.216 0.000 0.807 228 L CB 1.583 43.501 42.059 -0.235 0.000 1.237 228 L HN -0.024 8.129 8.230 -0.128 0.000 0.442 229 R N 0.216 120.547 120.500 -0.281 0.000 2.127 229 R HA -0.090 4.094 4.340 -0.259 0.000 0.217 229 R C 0.113 176.243 176.300 -0.284 0.000 1.074 229 R CA 1.762 57.652 56.100 -0.350 0.000 0.991 229 R CB 0.826 30.782 30.300 -0.574 0.000 0.895 229 R HN 0.474 8.901 8.270 -0.330 -0.355 0.450 230 Y N -2.996 117.230 120.300 -0.125 0.000 2.485 230 Y HA 0.174 4.675 4.550 -0.082 0.000 0.345 230 Y C -0.307 175.533 175.900 -0.101 0.000 0.998 230 Y CA -3.262 54.778 58.100 -0.099 0.000 1.059 230 Y CB 2.078 40.482 38.460 -0.094 0.000 1.234 230 Y HN -0.805 7.351 8.280 -0.207 0.000 0.461 231 E N 0.981 121.242 120.200 0.102 0.000 2.118 231 E HA -0.330 4.031 4.350 0.018 0.000 0.195 231 E C -0.191 176.440 176.600 0.051 0.000 0.992 231 E CA 2.617 59.042 56.400 0.042 0.000 0.804 231 E CB 0.157 29.876 29.700 0.031 0.000 0.741 231 E HN 0.378 8.804 8.360 0.110 0.000 0.458 232 D N -1.652 118.791 120.400 0.072 0.000 3.035 232 D HA 0.235 4.952 4.640 0.128 0.000 0.290 232 D C -0.278 176.078 176.300 0.094 0.000 1.360 232 D CA -0.697 53.361 54.000 0.095 0.000 0.862 232 D CB -1.053 39.791 40.800 0.073 0.000 1.078 232 D HN -0.085 8.320 8.370 0.079 0.013 0.487 233 E N 1.655 121.853 120.200 -0.004 0.000 2.153 233 E HA -0.392 4.059 4.350 0.169 0.000 0.194 233 E C 0.803 177.348 176.600 -0.091 0.000 0.988 233 E CA 3.478 59.844 56.400 -0.057 0.000 0.811 233 E CB 0.137 29.655 29.700 -0.305 0.000 0.746 233 E HN -0.634 7.635 8.360 -0.070 0.049 0.466 234 F N -2.840 117.104 119.950 -0.010 0.000 2.051 234 F HA -0.330 4.067 4.527 -0.216 0.000 0.296 234 F C 2.406 178.262 175.800 0.094 0.000 1.122 234 F CA 3.653 61.581 58.000 -0.121 0.000 1.201 234 F CB -0.611 38.253 39.000 -0.227 0.000 0.978 234 F HN -0.222 7.977 8.300 -0.170 0.000 0.472 235 V N -0.773 119.319 119.914 0.297 0.000 2.515 235 V HA -0.474 3.744 4.120 0.163 0.000 0.250 235 V C 1.447 177.596 176.094 0.091 0.000 1.058 235 V CA 3.270 65.680 62.300 0.183 0.000 1.064 235 V CB -0.144 31.791 31.823 0.186 0.000 0.675 235 V HN -0.406 7.977 8.190 0.320 0.000 0.461 236 K N -0.862 119.606 120.400 0.112 0.000 2.097 236 K HA -0.371 3.966 4.320 0.028 0.000 0.206 236 K C 2.305 178.959 176.600 0.091 0.000 1.049 236 K CA 2.896 59.228 56.287 0.075 0.000 0.933 236 K CB -0.846 31.708 32.500 0.090 0.000 0.717 236 K HN -0.561 7.768 8.250 0.132 0.000 0.442 237 H N 0.429 119.558 119.070 0.099 0.000 2.389 237 H HA -0.269 4.327 4.556 0.067 0.000 0.299 237 H C 1.946 177.301 175.328 0.046 0.000 1.081 237 H CA 3.875 59.987 56.048 0.107 0.000 1.345 237 H CB 0.126 30.019 29.762 0.217 0.000 1.393 237 H HN -0.249 8.121 8.280 0.297 0.088 0.520 238 K N -1.542 118.847 120.400 -0.018 0.000 2.097 238 K HA -0.271 3.861 4.320 -0.314 0.000 0.206 238 K C 2.505 178.793 176.600 -0.519 0.000 1.049 238 K CA 2.519 58.534 56.287 -0.453 0.000 0.933 238 K CB -0.652 31.222 32.500 -1.044 0.000 0.717 238 K HN -0.635 7.678 8.250 0.106 0.000 0.442 239 I N -0.061 120.341 120.570 -0.280 0.000 2.252 239 I HA -0.430 3.749 4.170 0.015 0.000 0.245 239 I C 1.501 177.624 176.117 0.011 0.000 1.102 239 I CA 4.060 65.333 61.300 -0.044 0.000 1.385 239 I CB -0.101 37.935 38.000 0.060 0.000 1.064 239 I HN -0.456 7.629 8.210 -0.208 0.000 0.414 240 L N 1.284 122.486 121.223 -0.035 0.000 2.012 240 L HA -0.457 3.997 4.340 0.190 0.000 0.210 240 L C 1.630 178.497 176.870 -0.004 0.000 1.073 240 L CA 3.421 58.266 54.840 0.009 0.000 0.748 240 L CB -0.181 41.784 42.059 -0.158 0.000 0.891 240 L HN -0.224 7.958 8.230 -0.080 0.000 0.431 241 D N -1.106 119.212 120.400 -0.136 0.000 2.123 241 D HA -0.357 4.405 4.640 0.204 0.000 0.196 241 D C 2.308 178.643 176.300 0.057 0.000 0.992 241 D CA 3.497 57.526 54.000 0.049 0.000 0.833 241 D CB -0.511 40.279 40.800 -0.016 0.000 0.954 241 D HN -0.121 8.077 8.370 -0.287 0.000 0.455 242 A N -0.301 122.476 122.820 -0.072 0.000 1.902 242 A HA -0.262 3.923 4.320 -0.225 0.000 0.217 242 A C 2.004 179.510 177.584 -0.129 0.000 1.181 242 A CA 3.106 55.012 52.037 -0.218 0.000 0.623 242 A CB -0.418 18.315 19.000 -0.445 0.000 0.818 242 A HN -0.458 7.628 8.150 -0.106 0.000 0.443 243 I N -2.272 118.308 120.570 0.017 0.000 2.226 243 I HA -0.579 3.677 4.170 0.143 0.000 0.245 243 I C 2.047 178.212 176.117 0.079 0.000 1.100 243 I CA 3.744 65.106 61.300 0.103 0.000 1.374 243 I CB -0.247 37.855 38.000 0.170 0.000 1.057 243 I HN -0.178 8.059 8.210 0.046 0.000 0.413 244 G N -1.315 107.546 108.800 0.101 0.000 2.418 244 G HA2 -0.372 3.611 3.960 0.095 0.000 0.217 244 G HA3 -0.372 3.859 3.960 0.138 -0.189 0.217 244 G C 1.550 176.529 174.900 0.131 0.000 1.158 244 G CA 2.038 47.209 45.100 0.118 0.000 0.771 244 G HN -0.406 7.954 8.290 0.118 0.000 0.545 245 D N 2.925 123.400 120.400 0.124 0.000 2.117 245 D HA -0.150 4.558 4.640 0.114 0.000 0.198 245 D C 2.569 178.942 176.300 0.121 0.000 0.982 245 D CA 2.759 56.831 54.000 0.120 0.000 0.828 245 D CB -0.379 40.504 40.800 0.137 0.000 0.967 245 D HN -0.526 7.918 8.370 0.123 0.000 0.464 246 L N -1.181 120.114 121.223 0.120 0.000 2.129 246 L HA -0.391 4.091 4.340 0.237 0.000 0.212 246 L C 1.796 178.784 176.870 0.196 0.000 1.087 246 L CA 2.862 57.819 54.840 0.194 0.000 0.757 246 L CB -0.255 41.949 42.059 0.240 0.000 0.896 246 L HN 0.181 8.458 8.230 0.077 0.000 0.434 247 Y N -1.067 119.234 120.300 0.001 0.000 2.509 247 Y HA -0.177 4.328 4.550 -0.076 0.000 0.293 247 Y C 1.731 177.606 175.900 -0.041 0.000 1.133 247 Y CA 0.593 58.665 58.100 -0.048 0.000 1.283 247 Y CB -0.385 38.036 38.460 -0.065 0.000 1.001 247 Y HN -0.783 7.529 8.280 0.267 0.128 0.555 248 L N -1.217 120.018 121.223 0.020 0.000 2.456 248 L HA -0.271 4.173 4.340 -0.077 -0.149 0.224 248 L C 1.373 178.183 176.870 -0.099 0.000 1.148 248 L CA 1.484 56.297 54.840 -0.045 0.000 0.825 248 L CB -0.820 41.246 42.059 0.013 0.000 0.937 248 L HN -0.309 7.833 8.230 0.087 0.140 0.450 249 L N -3.163 117.996 121.223 -0.106 0.000 2.191 249 L HA -0.420 3.822 4.340 -0.163 0.000 0.212 249 L C 1.018 177.736 176.870 -0.252 0.000 1.103 249 L CA 2.102 56.838 54.840 -0.173 0.000 0.769 249 L CB -0.033 41.923 42.059 -0.170 0.000 0.908 249 L HN -0.365 7.787 8.230 -0.057 0.044 0.438 250 G N -3.951 104.645 108.800 -0.340 0.000 2.213 250 G HA2 -0.401 3.292 3.960 -0.445 0.000 0.226 250 G HA3 -0.401 3.381 3.960 -0.296 0.000 0.226 250 G C -1.544 173.092 174.900 -0.441 0.000 0.992 250 G CA 0.054 44.920 45.100 -0.390 0.000 0.632 250 G HN -0.125 7.802 8.290 -0.394 0.127 0.511 251 N N -0.913 117.558 118.700 -0.382 0.000 2.416 251 N HA 0.186 4.706 4.740 -0.366 0.000 0.276 251 N C -1.080 174.318 175.510 -0.187 0.000 1.261 251 N CA -1.120 51.741 53.050 -0.315 0.000 0.790 251 N CB 3.473 41.814 38.487 -0.243 0.000 1.554 251 N HN -0.488 7.629 8.380 -0.332 0.064 0.481 252 S N 0.253 115.845 115.700 -0.180 0.000 2.573 252 S HA 0.020 4.487 4.470 -0.005 0.000 0.277 252 S C -1.593 173.025 174.600 0.030 0.000 1.346 252 S CA 1.194 59.350 58.200 -0.073 0.000 1.034 252 S CB 0.992 64.107 63.200 -0.143 0.000 0.879 252 S HN 0.442 8.556 8.310 -0.327 0.000 0.528 253 L N 2.090 123.282 121.223 -0.051 0.000 2.309 253 L HA 0.523 5.095 4.340 0.111 -0.165 0.282 253 L C -0.583 176.426 176.870 0.231 0.000 1.036 253 L CA -0.746 54.138 54.840 0.073 0.000 0.806 253 L CB 2.718 44.848 42.059 0.119 0.000 1.220 253 L HN 0.266 8.322 8.230 -0.291 0.000 0.429 254 I N 5.875 126.626 120.570 0.302 0.000 2.371 254 I HA 0.402 4.957 4.170 0.374 -0.162 0.282 254 I C -1.311 175.016 176.117 0.351 0.000 1.031 254 I CA -1.108 60.387 61.300 0.324 0.000 1.180 254 I CB 0.044 38.184 38.000 0.234 0.000 1.336 254 I HN 0.537 8.907 8.210 0.265 0.000 0.467 255 G N 5.816 114.923 108.800 0.513 0.000 2.324 255 G HA2 0.120 4.575 3.960 0.489 0.000 0.293 255 G HA3 0.120 4.325 3.960 0.410 0.000 0.293 255 G C -3.464 171.770 174.900 0.557 0.000 1.297 255 G CA 0.708 46.108 45.100 0.501 0.000 0.853 255 G HN 0.151 8.828 8.290 0.645 0.000 0.535 256 E N -0.615 119.837 120.200 0.420 0.000 2.222 256 E HA 0.980 5.645 4.350 0.138 -0.233 0.267 256 E C -2.007 174.810 176.600 0.362 0.000 0.884 256 E CA -3.167 53.366 56.400 0.221 0.000 0.764 256 E CB 4.265 33.944 29.700 -0.035 0.000 1.169 256 E HN 0.049 8.658 8.360 0.415 0.000 0.413 257 F N 7.222 127.261 119.950 0.149 0.000 2.421 257 F HA 0.803 5.548 4.527 0.046 -0.191 0.337 257 F C -2.062 173.682 175.800 -0.093 0.000 1.105 257 F CA -1.687 56.348 58.000 0.058 0.000 1.049 257 F CB 3.171 42.227 39.000 0.093 0.000 1.139 257 F HN 0.181 8.680 8.300 0.332 0.000 0.479 258 R N 6.394 126.349 120.500 -0.909 0.000 2.439 258 R HA 0.588 4.720 4.340 -0.655 -0.185 0.310 258 R C -1.219 174.250 176.300 -1.386 0.000 0.955 258 R CA -1.592 53.985 56.100 -0.871 0.000 0.853 258 R CB 3.497 33.513 30.300 -0.473 0.000 1.171 258 R HN 0.499 8.129 8.270 -1.066 0.000 0.449 259 G N 1.282 109.273 108.800 -1.349 0.000 2.416 259 G HA2 0.786 4.257 3.960 -1.036 0.000 0.329 259 G HA3 0.786 3.849 3.960 -1.495 0.000 0.329 259 G C -2.565 171.309 174.900 -1.709 0.000 1.173 259 G CA -1.363 42.888 45.100 -1.415 0.000 0.929 259 G HN 0.258 7.899 8.290 -1.082 0.000 0.475 260 F N 2.285 121.820 119.950 -0.692 0.000 2.676 260 F HA 0.546 4.963 4.527 -0.437 -0.152 0.371 260 F C -0.332 175.301 175.800 -0.277 0.000 1.141 260 F CA -1.733 56.008 58.000 -0.432 0.000 1.133 260 F CB 1.389 40.215 39.000 -0.288 0.000 1.376 260 F HN 0.300 8.357 8.300 -0.406 0.000 0.491 261 K N 0.218 120.576 120.400 -0.070 0.000 3.209 261 K HA -0.517 3.861 4.320 0.097 0.000 0.289 261 K C -1.346 175.322 176.600 0.113 0.000 1.191 261 K CA 1.282 57.594 56.287 0.043 0.000 0.851 261 K CB -2.290 30.185 32.500 -0.042 0.000 1.242 261 K HN 0.619 8.816 8.250 -0.089 0.000 0.480 262 S N -2.530 113.246 115.700 0.126 0.000 2.632 262 S HA -0.041 4.502 4.470 0.121 0.000 0.267 262 S C -0.389 174.394 174.600 0.306 0.000 1.276 262 S CA -0.146 58.164 58.200 0.184 0.000 0.998 262 S CB 1.619 64.891 63.200 0.121 0.000 0.953 262 S HN -0.436 7.820 8.310 -0.039 0.031 0.547 263 G N -0.489 108.416 108.800 0.176 0.000 3.086 263 G HA2 0.315 4.274 3.960 -0.002 0.000 0.282 263 G HA3 0.315 4.316 3.960 0.068 0.000 0.282 263 G C -0.670 174.241 174.900 0.020 0.000 1.343 263 G CA -1.085 44.050 45.100 0.058 0.000 0.895 263 G HN -0.076 8.304 8.290 0.150 0.000 0.557 264 H N 0.243 119.394 119.070 0.135 0.000 2.421 264 H HA -0.175 4.618 4.556 0.101 -0.176 0.298 264 H C 2.189 177.571 175.328 0.090 0.000 1.087 264 H CA 4.207 60.315 56.048 0.101 0.000 1.330 264 H CB -0.008 29.800 29.762 0.077 0.000 1.388 264 H HN 0.366 8.613 8.280 -0.055 0.000 0.526 265 A N 0.001 122.934 122.820 0.189 0.000 1.858 265 A HA -0.244 4.151 4.320 0.125 0.000 0.216 265 A C 2.261 179.914 177.584 0.115 0.000 1.190 265 A CA 2.948 55.063 52.037 0.131 0.000 0.617 265 A CB -0.725 18.337 19.000 0.104 0.000 0.827 265 A HN 0.292 8.551 8.150 0.181 0.000 0.443 266 L N -0.983 120.307 121.223 0.112 0.000 2.093 266 L HA -0.233 4.158 4.340 0.085 0.000 0.208 266 L C 1.748 178.692 176.870 0.124 0.000 1.085 266 L CA 2.321 57.222 54.840 0.101 0.000 0.755 266 L CB -0.438 41.674 42.059 0.089 0.000 0.904 266 L HN -0.094 8.205 8.230 0.115 0.000 0.435 267 N N -0.348 118.447 118.700 0.158 0.000 2.104 267 N HA -0.411 4.463 4.740 0.224 0.000 0.190 267 N C 2.493 178.091 175.510 0.148 0.000 1.024 267 N CA 3.219 56.375 53.050 0.176 0.000 0.853 267 N CB -0.767 37.809 38.487 0.149 0.000 1.008 267 N HN -0.010 8.465 8.380 0.159 0.000 0.424 268 N N 0.080 118.862 118.700 0.137 0.000 2.216 268 N HA -0.257 4.554 4.740 0.119 0.000 0.183 268 N C 1.561 177.134 175.510 0.105 0.000 1.017 268 N CA 3.377 56.497 53.050 0.116 0.000 0.861 268 N CB 0.064 38.610 38.487 0.099 0.000 0.986 268 N HN -0.359 8.107 8.380 0.143 0.000 0.428 269 Q N 0.779 120.638 119.800 0.098 0.000 2.096 269 Q HA -0.341 4.048 4.340 0.081 0.000 0.204 269 Q C 2.209 178.272 176.000 0.104 0.000 0.982 269 Q CA 3.374 59.230 55.803 0.088 0.000 0.850 269 Q CB -0.029 28.753 28.738 0.074 0.000 0.901 269 Q HN -0.328 8.001 8.270 0.099 0.000 0.422 270 L N 0.180 121.470 121.223 0.111 0.000 2.017 270 L HA -0.328 4.083 4.340 0.118 0.000 0.208 270 L C 1.617 178.627 176.870 0.233 0.000 1.073 270 L CA 3.141 58.058 54.840 0.127 0.000 0.745 270 L CB -0.295 41.784 42.059 0.034 0.000 0.894 270 L HN -0.281 8.013 8.230 0.107 0.000 0.432 271 L N -2.588 118.775 121.223 0.234 0.000 2.012 271 L HA -0.534 4.025 4.340 0.364 0.000 0.210 271 L C 2.285 179.237 176.870 0.138 0.000 1.073 271 L CA 3.449 58.433 54.840 0.241 0.000 0.748 271 L CB -0.942 41.215 42.059 0.163 0.000 0.891 271 L HN -0.570 7.776 8.230 0.193 0.000 0.431 272 R N -2.517 118.048 120.500 0.109 0.000 2.092 272 R HA -0.301 4.077 4.340 0.062 0.000 0.231 272 R C 2.866 179.228 176.300 0.104 0.000 1.119 272 R CA 3.442 59.592 56.100 0.083 0.000 0.970 272 R CB -0.230 30.112 30.300 0.071 0.000 0.864 272 R HN -0.444 7.892 8.270 0.110 0.000 0.440 273 T N 2.280 116.909 114.554 0.125 0.000 2.777 273 T HA -0.282 4.141 4.350 0.120 0.000 0.266 273 T C 1.852 176.658 174.700 0.176 0.000 1.040 273 T CA 4.408 66.591 62.100 0.137 0.000 1.141 273 T CB -0.086 68.860 68.868 0.130 0.000 0.868 273 T HN -0.353 7.964 8.240 0.130 0.000 0.444 274 L N 1.874 123.221 121.223 0.207 0.000 1.994 274 L HA -0.277 4.226 4.340 0.271 0.000 0.208 274 L C 1.929 178.912 176.870 0.190 0.000 1.071 274 L CA 3.037 58.007 54.840 0.216 0.000 0.745 274 L CB -0.222 41.947 42.059 0.182 0.000 0.892 274 L HN -0.288 8.077 8.230 0.224 0.000 0.431 275 I N -1.168 119.427 120.570 0.042 0.000 2.194 275 I HA -0.627 3.418 4.170 -0.208 0.000 0.246 275 I C 1.535 177.856 176.117 0.340 0.000 1.093 275 I CA 4.123 65.444 61.300 0.035 0.000 1.355 275 I CB -0.446 37.527 38.000 -0.045 0.000 1.046 275 I HN -0.132 8.093 8.210 0.025 0.000 0.413 276 A N -3.089 119.870 122.820 0.232 0.000 2.019 276 A HA -0.226 4.204 4.320 0.183 0.000 0.219 276 A C -0.085 177.626 177.584 0.212 0.000 1.164 276 A CA 2.011 54.166 52.037 0.197 0.000 0.644 276 A CB -0.195 18.884 19.000 0.132 0.000 0.805 276 A HN -0.545 7.704 8.150 0.181 0.011 0.449 277 D N -2.070 118.495 120.400 0.275 0.000 2.473 277 D HA 0.183 4.891 4.640 0.113 0.000 0.226 277 D C -0.157 176.213 176.300 0.117 0.000 1.089 277 D CA -1.555 52.554 54.000 0.181 0.000 0.883 277 D CB 0.237 41.133 40.800 0.161 0.000 1.029 277 D HN -0.649 7.894 8.370 0.336 0.029 0.517 278 K N 4.262 124.616 120.400 -0.077 0.000 2.362 278 K HA -0.251 3.508 4.320 -0.935 0.000 0.200 278 K C 1.307 177.621 176.600 -0.477 0.000 1.046 278 K CA 1.842 57.837 56.287 -0.487 0.000 0.952 278 K CB -0.086 32.188 32.500 -0.376 0.000 0.753 278 K HN 0.423 8.657 8.250 -0.027 0.000 0.466 279 D N -2.359 117.916 120.400 -0.208 0.000 2.347 279 D HA -0.170 4.365 4.640 -0.175 0.000 0.215 279 D C 0.029 176.280 176.300 -0.082 0.000 0.976 279 D CA 1.530 55.447 54.000 -0.137 0.000 0.884 279 D CB -0.776 39.990 40.800 -0.058 0.000 0.915 279 D HN -0.445 8.051 8.370 -0.126 -0.201 0.526 280 A N -4.117 118.682 122.820 -0.036 0.000 2.267 280 A HA 0.307 4.687 4.320 0.100 0.000 0.213 280 A C -1.270 176.453 177.584 0.231 0.000 1.192 280 A CA 0.302 52.417 52.037 0.130 0.000 0.851 280 A CB 0.887 20.030 19.000 0.239 0.000 0.881 280 A HN -0.319 7.681 8.150 -0.115 0.081 0.494 281 W N -6.352 114.955 121.300 0.012 0.000 3.005 281 W HA 0.865 5.699 4.660 0.004 -0.171 0.343 281 W C -2.622 173.896 176.519 -0.001 0.000 1.243 281 W CA -1.462 55.882 57.345 -0.002 0.000 1.186 281 W CB 2.498 31.940 29.460 -0.029 0.000 1.453 281 W HN -0.850 7.149 8.180 -0.301 0.000 0.575 282 E N -3.323 117.046 120.200 0.281 0.000 2.412 282 E HA 0.332 4.645 4.350 -0.061 0.000 0.279 282 E C -2.401 174.374 176.600 0.292 0.000 0.984 282 E CA -1.689 54.785 56.400 0.123 0.000 0.788 282 E CB 3.421 33.119 29.700 -0.003 0.000 1.277 282 E HN -0.137 8.448 8.360 0.375 0.000 0.455 283 V N 2.568 122.611 119.914 0.216 0.000 2.439 283 V HA 0.660 5.119 4.120 0.211 -0.213 0.282 283 V C 0.001 176.137 176.094 0.069 0.000 1.039 283 V CA -0.508 61.899 62.300 0.179 0.000 0.913 283 V CB 1.064 32.988 31.823 0.168 0.000 0.983 283 V HN 0.335 8.610 8.190 0.141 0.000 0.460 284 V N 2.807 122.757 119.914 0.059 0.000 3.040 284 V HA 0.719 4.772 4.120 -0.111 0.000 0.312 284 V C -1.707 174.329 176.094 -0.097 0.000 1.115 284 V CA -2.545 59.700 62.300 -0.092 0.000 0.998 284 V CB 3.682 35.374 31.823 -0.218 0.000 1.042 284 V HN 0.723 8.990 8.190 0.128 0.000 0.433 285 T N -2.564 111.821 114.554 -0.282 0.000 2.887 285 T HA 0.470 4.869 4.350 0.081 0.000 0.292 285 T C -0.917 173.462 174.700 -0.535 0.000 1.087 285 T CA -1.534 60.462 62.100 -0.173 0.000 1.009 285 T CB 3.045 71.898 68.868 -0.025 0.000 1.203 285 T HN -0.215 7.829 8.240 -0.328 0.000 0.518 286 F N 0.277 120.285 119.950 0.097 0.000 2.610 286 F HA 0.249 4.789 4.527 0.022 0.000 0.355 286 F C -0.098 175.729 175.800 0.044 0.000 1.140 286 F CA -0.914 57.111 58.000 0.041 0.000 1.037 286 F CB 1.422 40.424 39.000 0.003 0.000 1.287 286 F HN 0.355 8.834 8.300 0.299 0.000 0.457 287 E N 2.809 123.092 120.200 0.138 0.000 2.347 287 E HA -0.181 4.226 4.350 0.094 0.000 0.196 287 E C -0.565 176.097 176.600 0.104 0.000 1.008 287 E CA 1.348 57.806 56.400 0.097 0.000 0.852 287 E CB 0.143 29.873 29.700 0.050 0.000 0.783 287 E HN 0.316 8.727 8.360 0.085 0.000 0.505 288 D N -1.407 119.074 120.400 0.134 0.000 2.462 288 D HA 0.132 4.820 4.640 0.081 0.000 0.245 288 D C -0.509 175.859 176.300 0.112 0.000 1.122 288 D CA -1.375 52.687 54.000 0.103 0.000 0.864 288 D CB 1.236 42.083 40.800 0.078 0.000 1.098 288 D HN -0.445 7.999 8.370 0.169 0.027 0.541 289 A N 6.856 129.721 122.820 0.074 0.000 2.070 289 A HA -0.251 4.076 4.320 0.010 0.000 0.220 289 A C 1.734 179.292 177.584 -0.043 0.000 1.159 289 A CA 2.552 54.600 52.037 0.019 0.000 0.656 289 A CB -0.080 18.938 19.000 0.030 0.000 0.800 289 A HN 0.733 8.925 8.150 0.070 0.000 0.453 290 R N -5.494 115.001 120.500 -0.009 0.000 2.189 290 R HA -0.155 4.164 4.340 -0.035 0.000 0.218 290 R C 1.367 177.646 176.300 -0.036 0.000 1.074 290 R CA 1.869 57.956 56.100 -0.023 0.000 0.991 290 R CB 0.112 30.411 30.300 -0.001 0.000 0.883 290 R HN -0.705 7.750 8.270 0.015 -0.176 0.457 291 T N -5.696 108.852 114.554 -0.011 0.000 3.129 291 T HA -0.009 4.341 4.350 -0.000 0.000 0.251 291 T C -0.218 174.441 174.700 -0.069 0.000 1.117 291 T CA -0.255 61.852 62.100 0.012 0.000 1.034 291 T CB 0.730 69.659 68.868 0.103 0.000 0.968 291 T HN -0.612 7.605 8.240 0.018 0.033 0.526 292 A N 4.033 126.668 122.820 -0.309 0.000 2.327 292 A HA 0.249 3.949 4.320 -1.034 0.000 0.283 292 A C -1.292 176.022 177.584 -0.451 0.000 1.127 292 A CA -2.416 49.135 52.037 -0.810 0.000 0.810 292 A CB 0.352 18.581 19.000 -1.285 0.000 1.066 292 A HN -0.785 7.145 8.150 -0.264 0.062 0.492 293 P HA -0.006 4.315 4.420 -0.166 0.000 0.249 293 P C -1.764 175.436 177.300 -0.166 0.000 1.229 293 P CA 0.436 63.409 63.100 -0.212 0.000 0.788 293 P CB 0.186 31.792 31.700 -0.156 0.000 1.072 294 I N -5.858 114.558 120.570 -0.256 0.000 3.145 294 I HA 0.446 4.583 4.170 -0.055 0.000 0.313 294 I C -2.087 173.952 176.117 -0.129 0.000 1.122 294 I CA -2.298 58.924 61.300 -0.130 0.000 0.987 294 I CB 2.444 40.415 38.000 -0.048 0.000 1.236 294 I HN -0.662 7.229 8.210 -0.426 0.063 0.453 295 S N 0.936 116.578 115.700 -0.097 0.000 2.619 295 S HA 0.178 4.664 4.470 0.025 0.000 0.280 295 S C -0.493 174.037 174.600 -0.117 0.000 1.150 295 S CA -0.567 57.609 58.200 -0.039 0.000 0.978 295 S CB 0.917 64.098 63.200 -0.032 0.000 1.041 295 S HN -0.011 8.214 8.310 -0.141 0.000 0.485 296 Y N 5.354 125.675 120.300 0.035 0.000 2.507 296 Y HA 0.100 4.666 4.550 0.027 0.000 0.254 296 Y C 0.683 176.598 175.900 0.025 0.000 1.171 296 Y CA -0.701 57.419 58.100 0.033 0.000 1.238 296 Y CB -0.011 38.474 38.460 0.041 0.000 1.148 296 Y HN 0.386 8.855 8.280 0.315 0.000 0.525 297 M N 0.000 119.674 119.600 0.124 0.000 2.572 297 M HA 0.000 4.533 4.480 0.089 0.000 0.227 297 M CA 0.000 55.349 55.300 0.081 0.000 0.988 297 M CB 0.000 32.635 32.600 0.057 0.000 1.302 297 M HN 0.000 8.302 8.290 0.107 0.052 0.411