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 2p43_1_A DATA FIRST_RESID 1 DATA SEQUENCE KETAAAKFER QHMDSSTSAA SSSNYcNQMM KSRNLTKDRc KPVNTFVHES DATA SEQUENCE LADVQAVcSQ KNVAcKNGQT NcYQSYSTMS ITDcRETGSS KYPNcAYKTT DATA SEQUENCE QANKHIIVAc EGNPYVPVHF DASV 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 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1 K C 0.000 176.611 176.600 0.018 0.000 0.988 1 K CA 0.000 56.296 56.287 0.015 0.000 0.838 1 K CB 0.000 32.509 32.500 0.015 0.000 1.064 2 E N 2.099 122.311 120.200 0.020 0.000 2.480 2 E HA -0.006 4.344 4.350 0.001 0.000 0.258 2 E C -0.164 176.455 176.600 0.030 0.000 0.984 2 E CA 0.242 56.657 56.400 0.025 0.000 0.930 2 E CB 0.558 30.273 29.700 0.025 0.000 0.936 2 E HN 0.527 8.887 8.360 0.000 0.000 0.466 3 T N 1.485 116.060 114.554 0.034 0.000 2.813 3 T HA 0.320 4.671 4.350 0.001 0.000 0.297 3 T C 1.234 175.965 174.700 0.051 0.000 1.036 3 T CA -0.205 61.918 62.100 0.037 0.000 1.044 3 T CB 1.506 70.395 68.868 0.035 0.000 0.993 3 T HN 0.521 8.761 8.240 0.000 0.000 0.535 4 A N 1.264 124.114 122.820 0.051 0.000 1.902 4 A HA 0.173 4.494 4.320 0.001 0.000 0.217 4 A C 2.663 180.305 177.584 0.097 0.000 1.181 4 A CA 1.821 53.900 52.037 0.070 0.000 0.623 4 A CB -1.546 17.484 19.000 0.051 0.000 0.818 4 A HN 1.251 9.401 8.150 0.000 0.000 0.443 5 A N -0.235 122.626 122.820 0.068 0.000 1.898 5 A HA 0.193 4.514 4.320 0.001 0.000 0.216 5 A C 2.485 180.153 177.584 0.140 0.000 1.181 5 A CA 1.985 54.069 52.037 0.079 0.000 0.620 5 A CB -0.940 18.076 19.000 0.028 0.000 0.819 5 A HN 1.037 9.187 8.150 0.000 0.000 0.442 6 A N -0.158 122.723 122.820 0.102 0.000 1.930 6 A HA -0.131 4.189 4.320 0.001 0.000 0.217 6 A C 2.098 179.743 177.584 0.101 0.000 1.175 6 A CA 1.956 54.049 52.037 0.095 0.000 0.627 6 A CB -0.423 18.613 19.000 0.060 0.000 0.815 6 A HN 0.569 8.719 8.150 0.000 0.000 0.443 7 K N -1.289 119.173 120.400 0.103 0.000 2.057 7 K HA -0.169 4.152 4.320 0.001 0.000 0.207 7 K C 1.760 178.427 176.600 0.111 0.000 1.049 7 K CA 1.697 58.034 56.287 0.083 0.000 0.931 7 K CB -0.378 32.173 32.500 0.085 0.000 0.714 7 K HN 0.389 8.639 8.250 0.000 0.000 0.440 8 F N 2.077 122.073 119.950 0.077 0.000 2.126 8 F HA -0.181 4.346 4.527 0.001 0.000 0.299 8 F C 1.818 177.686 175.800 0.114 0.000 1.096 8 F CA 1.816 59.909 58.000 0.155 0.000 1.255 8 F CB -0.000 39.083 39.000 0.139 0.000 0.997 8 F HN 0.153 8.453 8.300 0.000 0.000 0.479 9 E N -0.108 120.224 120.200 0.220 0.000 2.077 9 E HA -0.264 4.087 4.350 0.001 0.000 0.193 9 E C 2.323 178.917 176.600 -0.010 0.000 0.989 9 E CA 1.221 57.692 56.400 0.117 0.000 0.800 9 E CB -0.295 29.493 29.700 0.147 0.000 0.746 9 E HN 0.409 8.769 8.360 0.000 0.000 0.452 10 R N 1.002 121.490 120.500 -0.020 0.000 2.075 10 R HA -0.162 4.179 4.340 0.001 0.000 0.232 10 R C 2.073 178.302 176.300 -0.119 0.000 1.126 10 R CA 1.532 57.606 56.100 -0.042 0.000 0.963 10 R CB 0.066 30.348 30.300 -0.030 0.000 0.858 10 R HN 0.187 8.457 8.270 0.000 0.000 0.435 11 Q N -1.485 118.128 119.800 -0.313 0.000 2.269 11 Q HA -0.061 4.280 4.340 0.001 0.000 0.201 11 Q C 0.887 176.254 176.000 -1.055 0.000 0.946 11 Q CA 0.839 56.239 55.803 -0.671 0.000 0.877 11 Q CB 0.456 28.662 28.738 -0.888 0.000 0.963 11 Q HN 0.581 8.851 8.270 0.000 0.000 0.472 12 H N -2.185 116.577 119.070 -0.514 0.000 3.535 12 H HA 0.251 4.808 4.556 0.001 0.000 0.260 12 H C -0.008 175.144 175.328 -0.293 0.000 1.173 12 H CA -0.028 55.610 56.048 -0.682 0.000 1.168 12 H CB 0.966 30.103 29.762 -1.043 0.000 1.568 12 H HN 0.086 8.366 8.280 0.000 0.000 0.602 13 M N 1.530 121.119 119.600 -0.019 0.000 2.180 13 M HA 0.211 4.691 4.480 0.001 0.000 0.350 13 M C -0.529 175.852 176.300 0.135 0.000 1.125 13 M CA -0.210 55.134 55.300 0.074 0.000 1.031 13 M CB 1.510 34.166 32.600 0.093 0.000 1.623 13 M HN -0.027 8.263 8.290 0.000 0.000 0.451 14 D N 1.171 121.649 120.400 0.130 0.000 2.552 14 D HA 0.323 4.963 4.640 0.001 0.000 0.285 14 D C 0.251 176.674 176.300 0.205 0.000 1.206 14 D CA 0.007 54.100 54.000 0.156 0.000 0.826 14 D CB 0.778 41.700 40.800 0.204 0.000 1.179 14 D HN 0.418 8.788 8.370 0.000 0.000 0.508 15 S N -0.378 115.404 115.700 0.137 0.000 2.428 15 S HA -0.115 4.356 4.470 0.001 0.000 0.230 15 S C 1.943 176.607 174.600 0.106 0.000 1.014 15 S CA 1.018 59.292 58.200 0.124 0.000 0.957 15 S CB 0.084 63.338 63.200 0.090 0.000 0.784 15 S HN 0.555 8.865 8.310 0.000 0.000 0.499 16 S N 0.713 116.464 115.700 0.085 0.000 2.489 16 S HA 0.056 4.526 4.470 0.001 0.000 0.228 16 S C 0.825 175.440 174.600 0.024 0.000 0.995 16 S CA 0.157 58.385 58.200 0.046 0.000 0.934 16 S CB -0.382 62.838 63.200 0.032 0.000 0.771 16 S HN 0.268 8.578 8.310 0.000 0.000 0.522 17 T N 3.172 117.748 114.554 0.036 0.000 2.922 17 T HA 0.542 4.893 4.350 0.001 0.000 0.285 17 T C 0.449 175.002 174.700 -0.245 0.000 1.005 17 T CA -0.251 61.797 62.100 -0.087 0.000 1.061 17 T CB 1.511 70.341 68.868 -0.063 0.000 1.007 17 T HN 0.577 8.817 8.240 0.000 0.000 0.502 18 S N 1.006 116.531 115.700 -0.292 0.000 2.694 18 S HA 0.603 5.073 4.470 0.001 0.000 0.278 18 S C 1.151 175.475 174.600 -0.460 0.000 1.152 18 S CA -0.443 57.591 58.200 -0.276 0.000 1.010 18 S CB 0.767 63.873 63.200 -0.156 0.000 1.104 18 S HN 0.758 9.068 8.310 0.000 0.000 0.547 19 A N -0.317 122.340 122.820 -0.273 0.000 2.327 19 A HA 0.632 4.953 4.320 0.001 0.000 0.228 19 A C 1.038 178.513 177.584 -0.182 0.000 1.275 19 A CA 0.039 51.939 52.037 -0.228 0.000 0.875 19 A CB -1.506 17.442 19.000 -0.086 0.000 0.925 19 A HN 1.281 9.431 8.150 0.000 0.000 0.493 20 A N 0.366 123.076 122.820 -0.183 0.000 2.531 20 A HA 0.417 4.738 4.320 0.001 0.000 0.236 20 A C 0.807 178.320 177.584 -0.118 0.000 1.062 20 A CA 0.041 52.005 52.037 -0.122 0.000 0.760 20 A CB -0.111 18.826 19.000 -0.105 0.000 0.995 20 A HN 0.447 8.597 8.150 0.000 0.000 0.501 21 S N 1.054 116.710 115.700 -0.073 0.000 2.546 21 S HA 0.316 4.787 4.470 0.001 0.000 0.290 21 S C 0.467 175.041 174.600 -0.043 0.000 1.290 21 S CA 0.555 58.724 58.200 -0.051 0.000 1.069 21 S CB 0.444 63.628 63.200 -0.027 0.000 0.846 21 S HN 1.004 9.314 8.310 0.000 0.000 0.495 22 S N 2.115 117.799 115.700 -0.026 0.000 2.387 22 S HA 0.231 4.702 4.470 0.001 0.000 0.211 22 S C 0.645 175.281 174.600 0.060 0.000 1.055 22 S CA -0.740 57.467 58.200 0.012 0.000 1.133 22 S CB 0.264 63.468 63.200 0.007 0.000 1.235 22 S HN 0.516 8.826 8.310 0.000 0.000 0.425 23 S N 3.115 118.845 115.700 0.050 0.000 2.447 23 S HA -0.047 4.423 4.470 0.001 0.000 0.233 23 S C 1.523 176.172 174.600 0.082 0.000 1.006 23 S CA 1.099 59.335 58.200 0.060 0.000 0.957 23 S CB -0.244 62.980 63.200 0.040 0.000 0.773 23 S HN 0.758 9.068 8.310 0.000 0.000 0.507 24 N N 0.016 118.765 118.700 0.081 0.000 2.280 24 N HA 0.127 4.868 4.740 0.001 0.000 0.192 24 N C 0.956 176.516 175.510 0.084 0.000 1.109 24 N CA -0.201 52.893 53.050 0.072 0.000 0.855 24 N CB -0.176 38.333 38.487 0.037 0.000 0.974 24 N HN 0.402 8.782 8.380 0.000 0.000 0.482 25 Y N 0.101 120.393 120.300 -0.014 0.000 2.114 25 Y HA -0.323 4.227 4.550 0.001 0.000 0.282 25 Y C 2.046 177.909 175.900 -0.063 0.000 1.165 25 Y CA 1.816 59.886 58.100 -0.049 0.000 1.148 25 Y CB -0.498 37.937 38.460 -0.041 0.000 0.972 25 Y HN 0.160 8.440 8.280 0.000 0.000 0.504 26 c N 0.759 119.411 118.600 0.088 0.000 2.440 26 c HA -0.146 4.424 4.570 0.001 0.000 0.278 26 c C 2.523 176.557 174.090 -0.094 0.000 1.295 26 c CA 1.095 57.410 56.329 -0.023 0.000 1.738 26 c CB -1.317 41.276 42.510 0.139 0.000 1.987 26 c HN 0.632 8.862 8.230 0.000 0.000 0.492 27 N N 0.769 119.489 118.700 0.032 0.000 2.104 27 N HA -0.172 4.568 4.740 0.001 0.000 0.190 27 N C 1.778 177.260 175.510 -0.047 0.000 1.024 27 N CA 1.427 54.519 53.050 0.070 0.000 0.853 27 N CB -0.552 37.986 38.487 0.085 0.000 1.008 27 N HN 0.630 9.010 8.380 0.000 0.000 0.424 28 Q N 0.036 119.758 119.800 -0.130 0.000 2.046 28 Q HA 0.043 4.384 4.340 0.001 0.000 0.200 28 Q C 1.865 177.699 176.000 -0.278 0.000 0.975 28 Q CA 1.300 56.993 55.803 -0.184 0.000 0.836 28 Q CB 0.024 28.638 28.738 -0.207 0.000 0.896 28 Q HN 0.167 8.437 8.270 0.000 0.000 0.428 29 M N -0.814 118.502 119.600 -0.473 0.000 2.236 29 M HA -0.034 4.446 4.480 0.001 0.000 0.266 29 M C 1.916 178.037 176.300 -0.298 0.000 1.070 29 M CA 1.020 55.969 55.300 -0.585 0.000 1.137 29 M CB -0.580 31.280 32.600 -1.232 0.000 1.378 29 M HN 0.354 8.644 8.290 0.000 0.000 0.426 30 M N 0.283 119.740 119.600 -0.238 0.000 2.159 30 M HA -0.161 4.319 4.480 0.001 0.000 0.263 30 M C 1.924 178.166 176.300 -0.097 0.000 1.063 30 M CA 1.543 56.724 55.300 -0.198 0.000 1.110 30 M CB -1.109 31.155 32.600 -0.559 0.000 1.374 30 M HN 0.255 8.545 8.290 0.000 0.000 0.411 31 K N -0.659 119.697 120.400 -0.073 0.000 2.031 31 K HA -0.000 4.320 4.320 0.001 0.000 0.205 31 K C 2.194 178.762 176.600 -0.052 0.000 1.049 31 K CA 1.296 57.564 56.287 -0.031 0.000 0.939 31 K CB -0.134 32.354 32.500 -0.020 0.000 0.717 31 K HN 0.159 8.409 8.250 0.000 0.000 0.438 32 S N 0.755 116.398 115.700 -0.094 0.000 2.399 32 S HA -0.032 4.439 4.470 0.001 0.000 0.231 32 S C 1.473 176.030 174.600 -0.072 0.000 1.022 32 S CA 1.003 59.147 58.200 -0.092 0.000 0.983 32 S CB 0.029 63.145 63.200 -0.140 0.000 0.803 32 S HN 0.186 8.496 8.310 0.000 0.000 0.480 33 R N 1.323 121.783 120.500 -0.065 0.000 2.388 33 R HA 0.268 4.608 4.340 0.001 0.000 0.247 33 R C -0.162 176.120 176.300 -0.031 0.000 0.931 33 R CA -0.100 55.979 56.100 -0.035 0.000 1.082 33 R CB -0.682 29.629 30.300 0.018 0.000 1.135 33 R HN 0.244 8.514 8.270 0.000 0.000 0.525 34 N N 0.272 118.958 118.700 -0.024 0.000 2.815 34 N HA -0.152 4.588 4.740 0.001 0.000 0.249 34 N C 0.160 175.667 175.510 -0.005 0.000 1.114 34 N CA 0.570 53.616 53.050 -0.007 0.000 0.717 34 N CB -1.555 36.928 38.487 -0.007 0.000 1.074 34 N HN 0.282 8.662 8.380 0.000 0.000 0.555 35 L N -0.460 120.754 121.223 -0.014 0.000 2.628 35 L HA 0.167 4.507 4.340 0.001 0.000 0.229 35 L C 1.556 178.458 176.870 0.053 0.000 1.137 35 L CA 1.087 55.917 54.840 -0.017 0.000 0.909 35 L CB -0.018 41.991 42.059 -0.083 0.000 1.137 35 L HN 0.293 8.523 8.230 0.000 0.000 0.470 36 T N -5.374 109.236 114.554 0.093 0.000 3.145 36 T HA 0.077 4.428 4.350 0.001 0.000 0.281 36 T C 1.349 176.185 174.700 0.227 0.000 1.003 36 T CA -0.375 61.839 62.100 0.189 0.000 0.901 36 T CB 0.454 69.441 68.868 0.198 0.000 1.112 36 T HN 0.103 8.343 8.240 0.000 0.000 0.535 37 K N 1.343 121.831 120.400 0.147 0.000 2.007 37 K HA -0.058 4.263 4.320 0.001 0.000 0.206 37 K C 1.079 177.804 176.600 0.207 0.000 1.047 37 K CA 1.717 58.094 56.287 0.151 0.000 0.937 37 K CB 0.079 32.624 32.500 0.074 0.000 0.718 37 K HN 0.168 8.418 8.250 0.000 0.000 0.438 38 D N -0.022 120.419 120.400 0.069 0.000 2.338 38 D HA 0.022 4.662 4.640 0.001 0.000 0.208 38 D C 0.408 176.419 176.300 -0.482 0.000 0.997 38 D CA 0.437 54.388 54.000 -0.082 0.000 0.880 38 D CB 0.481 41.236 40.800 -0.074 0.000 0.980 38 D HN 0.341 8.711 8.370 0.000 0.000 0.509 39 R N -1.345 118.921 120.500 -0.389 0.000 2.741 39 R HA 0.432 4.772 4.340 0.001 0.000 0.274 39 R C -1.414 174.874 176.300 -0.020 0.000 1.029 39 R CA -0.743 55.016 56.100 -0.569 0.000 0.880 39 R CB 0.361 30.459 30.300 -0.337 0.000 1.264 39 R HN -0.178 8.092 8.270 0.000 0.000 0.465 40 c N 1.902 120.565 118.600 0.104 0.000 2.416 40 c HA 0.251 4.821 4.570 0.001 0.000 0.355 40 c C 0.537 174.721 174.090 0.157 0.000 1.211 40 c CA -0.311 56.138 56.329 0.200 0.000 1.699 40 c CB -0.657 41.938 42.510 0.141 0.000 2.310 40 c HN 0.643 8.873 8.230 0.000 0.000 0.539 41 K N 4.949 125.458 120.400 0.182 0.000 2.419 41 K HA 0.041 4.362 4.320 0.001 0.000 0.282 41 K C -1.499 175.232 176.600 0.219 0.000 1.056 41 K CA -0.668 55.698 56.287 0.131 0.000 1.035 41 K CB 0.747 33.282 32.500 0.057 0.000 0.921 41 K HN 0.359 8.609 8.250 0.000 0.000 0.472 42 P HA -0.096 4.324 4.420 0.000 0.000 0.217 42 P C -0.506 176.906 177.300 0.185 0.000 1.151 42 P CA 0.566 63.752 63.100 0.143 0.000 0.828 42 P CB 0.345 32.092 31.700 0.077 0.000 0.788 43 V N -0.723 119.270 119.914 0.131 0.000 2.760 43 V HA 0.508 4.628 4.120 0.001 0.000 0.309 43 V C -0.770 175.331 176.094 0.011 0.000 1.077 43 V CA -0.608 61.748 62.300 0.094 0.000 0.910 43 V CB 2.026 33.893 31.823 0.073 0.000 1.008 43 V HN -0.063 8.127 8.190 0.000 0.000 0.424 44 N N 1.055 119.709 118.700 -0.077 0.000 2.367 44 N HA 0.616 5.357 4.740 0.001 0.000 0.278 44 N C -1.254 174.034 175.510 -0.371 0.000 1.117 44 N CA -0.262 52.640 53.050 -0.246 0.000 0.867 44 N CB 2.448 40.702 38.487 -0.388 0.000 1.649 44 N HN 0.646 9.026 8.380 0.000 0.000 0.479 45 T N 2.461 116.679 114.554 -0.561 0.000 2.797 45 T HA 0.519 4.870 4.350 0.001 0.000 0.279 45 T C -1.023 173.193 174.700 -0.807 0.000 0.991 45 T CA -0.165 61.536 62.100 -0.665 0.000 0.979 45 T CB 0.208 68.457 68.868 -1.032 0.000 0.943 45 T HN 0.241 8.481 8.240 0.000 0.000 0.444 46 F N 1.633 121.392 119.950 -0.319 0.000 2.450 46 F HA 0.617 5.145 4.527 0.001 0.000 0.332 46 F C 0.043 175.570 175.800 -0.455 0.000 1.093 46 F CA -0.981 56.831 58.000 -0.313 0.000 1.003 46 F CB 1.493 40.413 39.000 -0.133 0.000 1.151 46 F HN 0.165 8.465 8.300 0.000 0.000 0.474 47 V N 3.018 122.807 119.914 -0.208 0.000 2.409 47 V HA 0.254 4.375 4.120 0.001 0.000 0.291 47 V C -0.353 175.611 176.094 -0.218 0.000 1.020 47 V CA -0.854 61.327 62.300 -0.199 0.000 0.848 47 V CB 1.209 33.041 31.823 0.014 0.000 0.990 47 V HN 0.634 8.824 8.190 0.000 0.000 0.430 48 H N 3.893 122.996 119.070 0.055 0.000 2.483 48 H HA 0.500 5.057 4.556 0.001 0.000 0.224 48 H C -0.136 175.214 175.328 0.036 0.000 1.690 48 H CA -0.190 55.876 56.048 0.031 0.000 1.217 48 H CB 0.256 30.007 29.762 -0.019 0.000 1.619 48 H HN 0.624 8.904 8.280 0.000 0.000 0.528 49 E N 0.538 120.811 120.200 0.122 0.000 2.423 49 E HA 0.238 4.588 4.350 0.001 0.000 0.269 49 E C 0.030 176.686 176.600 0.093 0.000 0.948 49 E CA -0.814 55.645 56.400 0.099 0.000 0.802 49 E CB 1.879 31.632 29.700 0.087 0.000 1.339 49 E HN 0.335 8.695 8.360 0.000 0.000 0.445 50 S N 0.076 115.823 115.700 0.078 0.000 2.579 50 S HA 0.043 4.513 4.470 0.001 0.000 0.275 50 S C 1.161 175.809 174.600 0.081 0.000 1.345 50 S CA -0.520 57.723 58.200 0.072 0.000 1.031 50 S CB 0.620 63.854 63.200 0.056 0.000 0.892 50 S HN 0.523 8.833 8.310 0.000 0.000 0.529 51 L N 2.538 123.809 121.223 0.081 0.000 2.046 51 L HA 0.037 4.377 4.340 0.001 0.000 0.208 51 L C 2.610 179.520 176.870 0.066 0.000 1.077 51 L CA 2.415 57.309 54.840 0.090 0.000 0.747 51 L CB -1.632 40.477 42.059 0.083 0.000 0.896 51 L HN 0.962 9.192 8.230 0.000 0.000 0.432 52 A N -0.795 122.055 122.820 0.050 0.000 1.883 52 A HA -0.247 4.074 4.320 0.001 0.000 0.217 52 A C 2.020 179.625 177.584 0.035 0.000 1.186 52 A CA 2.047 54.105 52.037 0.035 0.000 0.624 52 A CB -0.890 18.129 19.000 0.032 0.000 0.822 52 A HN 0.534 8.684 8.150 0.000 0.000 0.444 53 D N -0.645 119.783 120.400 0.046 0.000 2.178 53 D HA -0.058 4.583 4.640 0.001 0.000 0.202 53 D C 2.009 178.337 176.300 0.046 0.000 0.974 53 D CA 1.217 55.245 54.000 0.047 0.000 0.841 53 D CB -0.197 40.637 40.800 0.056 0.000 0.953 53 D HN 0.237 8.607 8.370 0.000 0.000 0.478 54 V N 0.606 120.558 119.914 0.063 0.000 2.407 54 V HA -0.174 3.947 4.120 0.001 0.000 0.245 54 V C 2.355 178.449 176.094 -0.001 0.000 1.041 54 V CA 1.233 63.575 62.300 0.070 0.000 1.040 54 V CB -0.424 31.497 31.823 0.164 0.000 0.671 54 V HN 0.149 8.339 8.190 0.000 0.000 0.455 55 Q N 0.142 119.934 119.800 -0.013 0.000 2.181 55 Q HA -0.169 4.171 4.340 0.001 0.000 0.205 55 Q C 2.305 178.258 176.000 -0.080 0.000 0.980 55 Q CA 1.671 57.431 55.803 -0.073 0.000 0.862 55 Q CB -0.390 28.323 28.738 -0.041 0.000 0.905 55 Q HN 0.671 8.941 8.270 0.000 0.000 0.429 56 A N 0.195 122.992 122.820 -0.038 0.000 2.121 56 A HA -0.082 4.239 4.320 0.001 0.000 0.218 56 A C 2.165 179.712 177.584 -0.062 0.000 1.154 56 A CA 0.769 52.786 52.037 -0.032 0.000 0.679 56 A CB -0.288 18.717 19.000 0.007 0.000 0.795 56 A HN 0.208 8.358 8.150 0.000 0.000 0.458 57 V N -1.103 118.763 119.914 -0.079 0.000 2.759 57 V HA -0.275 3.846 4.120 0.001 0.000 0.256 57 V C 2.306 178.308 176.094 -0.152 0.000 1.080 57 V CA 1.713 63.953 62.300 -0.100 0.000 1.101 57 V CB -1.029 30.750 31.823 -0.073 0.000 0.698 57 V HN 0.713 8.903 8.190 0.000 0.000 0.477 58 c N -0.107 118.343 118.600 -0.251 0.000 2.449 58 c HA -0.048 4.523 4.570 0.001 0.000 0.283 58 c C 2.497 176.263 174.090 -0.541 0.000 1.453 58 c CA 1.099 57.118 56.329 -0.517 0.000 1.779 58 c CB -1.238 41.001 42.510 -0.451 0.000 1.779 58 c HN 0.565 8.795 8.230 0.000 0.000 0.546 59 S N -0.546 115.014 115.700 -0.234 0.000 2.554 59 S HA 0.103 4.574 4.470 0.001 0.000 0.226 59 S C 0.859 175.450 174.600 -0.015 0.000 0.980 59 S CA -0.048 58.087 58.200 -0.108 0.000 0.939 59 S CB 0.199 63.380 63.200 -0.032 0.000 0.832 59 S HN 0.696 9.006 8.310 0.000 0.000 0.486 60 Q N 1.305 121.066 119.800 -0.065 0.000 3.028 60 Q HA 0.344 4.684 4.340 0.001 0.000 0.204 60 Q C 0.075 176.023 176.000 -0.087 0.000 1.155 60 Q CA -0.608 55.038 55.803 -0.261 0.000 0.447 60 Q CB 0.300 28.644 28.738 -0.656 0.000 5.412 60 Q HN 0.043 8.313 8.270 0.000 0.000 0.322 61 K N 2.189 122.407 120.400 -0.304 0.000 2.316 61 K HA 0.071 4.392 4.320 0.001 0.000 0.289 61 K C -0.605 175.948 176.600 -0.079 0.000 1.070 61 K CA 0.026 56.277 56.287 -0.060 0.000 0.928 61 K CB 0.234 32.701 32.500 -0.056 0.000 1.039 61 K HN 0.399 8.649 8.250 0.000 0.000 0.480 62 N N 3.910 122.547 118.700 -0.105 0.000 2.452 62 N HA 0.071 4.812 4.740 0.001 0.000 0.266 62 N C -0.650 174.669 175.510 -0.318 0.000 1.175 62 N CA -0.383 52.389 53.050 -0.464 0.000 0.945 62 N CB 0.634 38.963 38.487 -0.264 0.000 1.063 62 N HN 0.354 8.734 8.380 0.000 0.000 0.472 63 V N 0.509 120.201 119.914 -0.371 0.000 3.160 63 V HA 0.802 4.923 4.120 0.001 0.000 0.310 63 V C -0.200 175.774 176.094 -0.200 0.000 1.181 63 V CA -1.219 60.950 62.300 -0.219 0.000 1.047 63 V CB 1.012 32.731 31.823 -0.173 0.000 1.068 63 V HN 0.674 8.864 8.190 0.000 0.000 0.441 64 A N 0.767 123.509 122.820 -0.130 0.000 2.440 64 A HA 0.536 4.857 4.320 0.001 0.000 0.251 64 A C 0.498 178.028 177.584 -0.090 0.000 1.089 64 A CA -0.077 51.900 52.037 -0.100 0.000 0.779 64 A CB -0.293 18.665 19.000 -0.069 0.000 1.022 64 A HN 1.206 9.356 8.150 0.000 0.000 0.492 65 c N 1.921 120.477 118.600 -0.074 0.000 2.700 65 c HA 0.123 4.694 4.570 0.001 0.000 0.397 65 c C 2.065 176.139 174.090 -0.027 0.000 1.301 65 c CA -0.320 55.984 56.329 -0.042 0.000 2.219 65 c CB -0.037 42.456 42.510 -0.027 0.000 2.699 65 c HN 1.065 9.295 8.230 0.000 0.000 0.669 66 K N 1.728 122.126 120.400 -0.004 0.000 2.113 66 K HA -0.181 4.140 4.320 0.001 0.000 0.208 66 K C 1.649 178.248 176.600 -0.002 0.000 1.047 66 K CA 2.058 58.347 56.287 0.003 0.000 0.928 66 K CB -0.131 32.386 32.500 0.028 0.000 0.716 66 K HN 0.782 9.032 8.250 0.000 0.000 0.446 67 N N -0.827 117.868 118.700 -0.007 0.000 2.467 67 N HA -0.009 4.731 4.740 0.001 0.000 0.184 67 N C 1.051 176.547 175.510 -0.022 0.000 1.106 67 N CA 1.172 54.212 53.050 -0.016 0.000 0.892 67 N CB 0.692 39.161 38.487 -0.030 0.000 0.969 67 N HN 0.261 8.641 8.380 0.000 0.000 0.454 68 G N -0.761 108.024 108.800 -0.026 0.000 2.253 68 G HA2 -0.250 3.710 3.960 0.001 0.000 0.209 68 G HA3 -0.250 3.710 3.960 0.001 0.000 0.209 68 G C -0.175 174.705 174.900 -0.033 0.000 0.997 68 G CA -0.093 44.990 45.100 -0.028 0.000 0.640 68 G HN 0.445 8.735 8.290 0.000 0.000 0.496 69 Q N 0.474 120.252 119.800 -0.038 0.000 2.479 69 Q HA 0.435 4.776 4.340 0.001 0.000 0.267 69 Q C 1.440 177.412 176.000 -0.047 0.000 1.071 69 Q CA 1.190 56.970 55.803 -0.038 0.000 0.935 69 Q CB 0.470 29.181 28.738 -0.043 0.000 1.295 69 Q HN 0.519 8.789 8.270 0.000 0.000 0.476 70 T N -2.711 111.817 114.554 -0.044 0.000 3.145 70 T HA 0.080 4.431 4.350 0.001 0.000 0.281 70 T C 0.213 174.862 174.700 -0.084 0.000 1.003 70 T CA -0.460 61.598 62.100 -0.070 0.000 0.901 70 T CB -0.002 68.834 68.868 -0.054 0.000 1.112 70 T HN 0.629 8.869 8.240 0.000 0.000 0.535 71 N N 0.749 119.429 118.700 -0.033 0.000 2.451 71 N HA 0.180 4.921 4.740 0.001 0.000 0.264 71 N C -0.369 175.146 175.510 0.008 0.000 1.167 71 N CA -0.404 52.681 53.050 0.058 0.000 0.898 71 N CB -0.647 37.939 38.487 0.165 0.000 1.176 71 N HN 0.275 8.655 8.380 0.000 0.000 0.507 72 c N 0.438 118.912 118.600 -0.211 0.000 2.351 72 c HA 0.565 5.136 4.570 0.001 0.000 0.359 72 c C -0.617 173.114 174.090 -0.598 0.000 1.193 72 c CA -0.311 55.889 56.329 -0.216 0.000 2.270 72 c CB -0.152 42.266 42.510 -0.154 0.000 2.369 72 c HN 0.444 8.674 8.230 0.000 0.000 0.553 73 Y N 0.768 120.997 120.300 -0.119 0.000 2.421 73 Y HA 0.439 4.990 4.550 0.001 0.000 0.339 73 Y C -0.036 175.760 175.900 -0.172 0.000 0.996 73 Y CA -0.343 57.677 58.100 -0.134 0.000 1.046 73 Y CB 1.169 39.552 38.460 -0.129 0.000 1.226 73 Y HN 0.613 8.893 8.280 0.000 0.000 0.445 74 Q N 2.214 121.952 119.800 -0.103 0.000 2.271 74 Q HA 0.510 4.850 4.340 0.001 0.000 0.258 74 Q C -0.543 175.364 176.000 -0.155 0.000 0.936 74 Q CA -0.843 54.886 55.803 -0.123 0.000 0.909 74 Q CB 1.226 29.879 28.738 -0.142 0.000 1.253 74 Q HN 0.783 9.053 8.270 0.000 0.000 0.440 75 S N 2.970 118.633 115.700 -0.062 0.000 2.549 75 S HA 0.072 4.542 4.470 0.001 0.000 0.279 75 S C 0.377 175.026 174.600 0.082 0.000 1.321 75 S CA -0.378 57.797 58.200 -0.041 0.000 1.054 75 S CB 0.378 63.611 63.200 0.054 0.000 0.899 75 S HN 0.657 8.967 8.310 0.000 0.000 0.497 76 Y N 2.220 122.607 120.300 0.145 0.000 2.200 76 Y HA 0.060 4.611 4.550 0.001 0.000 0.290 76 Y C 2.022 178.065 175.900 0.238 0.000 1.137 76 Y CA 1.004 59.193 58.100 0.149 0.000 1.163 76 Y CB -0.710 37.802 38.460 0.087 0.000 0.988 76 Y HN 0.731 9.011 8.280 0.000 0.000 0.518 77 S N -0.083 115.798 115.700 0.300 0.000 2.616 77 S HA 0.322 4.792 4.470 0.001 0.000 0.277 77 S C 0.267 174.843 174.600 -0.041 0.000 1.234 77 S CA -0.568 57.713 58.200 0.135 0.000 1.028 77 S CB 0.370 63.624 63.200 0.089 0.000 0.988 77 S HN 0.365 8.675 8.310 0.000 0.000 0.522 78 T N 2.412 116.778 114.554 -0.313 0.000 2.802 78 T HA 0.463 4.813 4.350 0.001 0.000 0.305 78 T C 0.045 174.682 174.700 -0.104 0.000 1.053 78 T CA -0.325 61.560 62.100 -0.358 0.000 1.058 78 T CB 0.119 68.771 68.868 -0.361 0.000 0.988 78 T HN 0.630 8.870 8.240 0.000 0.000 0.539 79 M N 0.962 120.533 119.600 -0.048 0.000 2.572 79 M HA 0.340 4.821 4.480 0.001 0.000 0.299 79 M C -0.315 176.001 176.300 0.027 0.000 1.205 79 M CA -0.845 54.464 55.300 0.015 0.000 0.876 79 M CB 2.736 35.367 32.600 0.051 0.000 1.728 79 M HN 0.613 8.903 8.290 0.000 0.000 0.458 80 S N 3.278 119.009 115.700 0.052 0.000 2.443 80 S HA 0.427 4.898 4.470 0.001 0.000 0.284 80 S C -0.360 174.297 174.600 0.095 0.000 1.206 80 S CA -0.445 57.805 58.200 0.083 0.000 1.074 80 S CB -0.788 62.478 63.200 0.111 0.000 0.963 80 S HN 0.509 8.819 8.310 0.000 0.000 0.501 81 I N 0.290 120.897 120.570 0.063 0.000 3.002 81 I HA 0.735 4.906 4.170 0.001 0.000 0.310 81 I C -0.643 175.480 176.117 0.010 0.000 1.087 81 I CA -0.786 60.498 61.300 -0.027 0.000 1.017 81 I CB 2.514 40.505 38.000 -0.014 0.000 1.226 81 I HN 0.183 8.393 8.210 0.000 0.000 0.443 82 T N 1.940 116.470 114.554 -0.040 0.000 2.809 82 T HA 0.282 4.633 4.350 0.001 0.000 0.284 82 T C -1.026 173.707 174.700 0.055 0.000 0.992 82 T CA -0.184 61.947 62.100 0.052 0.000 0.957 82 T CB 1.075 69.999 68.868 0.094 0.000 0.942 82 T HN 0.769 9.009 8.240 0.000 0.000 0.439 83 D N 1.786 122.216 120.400 0.050 0.000 2.277 83 D HA 0.371 5.011 4.640 0.001 0.000 0.249 83 D C -0.653 175.704 176.300 0.095 0.000 1.134 83 D CA -0.340 53.682 54.000 0.038 0.000 0.863 83 D CB 0.499 41.323 40.800 0.041 0.000 1.143 83 D HN 0.455 8.825 8.370 0.000 0.000 0.458 84 c N 4.935 123.585 118.600 0.084 0.000 2.298 84 c HA 0.608 5.179 4.570 0.001 0.000 0.323 84 c C 0.029 174.236 174.090 0.194 0.000 1.284 84 c CA -0.768 55.641 56.329 0.133 0.000 1.577 84 c CB -0.014 42.513 42.510 0.028 0.000 2.249 84 c HN 0.607 8.837 8.230 0.000 0.000 0.497 85 R N 1.667 122.345 120.500 0.296 0.000 2.628 85 R HA 0.349 4.690 4.340 0.001 0.000 0.288 85 R C -0.534 175.905 176.300 0.232 0.000 0.980 85 R CA -0.591 55.660 56.100 0.252 0.000 0.891 85 R CB 1.833 32.212 30.300 0.131 0.000 1.188 85 R HN 0.744 9.014 8.270 0.000 0.000 0.450 86 E N 1.471 121.710 120.200 0.064 0.000 2.442 86 E HA -0.038 4.313 4.350 0.001 0.000 0.262 86 E C 0.211 176.741 176.600 -0.117 0.000 1.004 86 E CA 0.500 56.755 56.400 -0.242 0.000 0.928 86 E CB 0.754 30.327 29.700 -0.211 0.000 0.937 86 E HN 0.512 8.872 8.360 0.000 0.000 0.446 87 T N -0.450 114.015 114.554 -0.148 0.000 2.816 87 T HA 0.209 4.560 4.350 0.001 0.000 0.282 87 T C 1.346 176.009 174.700 -0.062 0.000 0.993 87 T CA -0.393 61.665 62.100 -0.069 0.000 0.994 87 T CB 1.396 70.229 68.868 -0.058 0.000 1.025 87 T HN 0.485 8.725 8.240 0.000 0.000 0.529 88 G N 0.076 108.855 108.800 -0.034 0.000 2.448 88 G HA2 -0.112 3.849 3.960 0.001 0.000 0.219 88 G HA3 -0.112 3.849 3.960 0.001 0.000 0.219 88 G C 1.544 176.425 174.900 -0.031 0.000 1.127 88 G CA 0.589 45.673 45.100 -0.026 0.000 0.766 88 G HN 0.685 8.975 8.290 0.000 0.000 0.552 89 S N -0.350 115.327 115.700 -0.038 0.000 2.503 89 S HA 0.195 4.665 4.470 0.001 0.000 0.217 89 S C 1.344 175.915 174.600 -0.050 0.000 0.999 89 S CA -0.145 58.034 58.200 -0.036 0.000 0.914 89 S CB 0.110 63.292 63.200 -0.030 0.000 0.782 89 S HN 0.324 8.634 8.310 0.000 0.000 0.520 90 S N 2.019 117.671 115.700 -0.079 0.000 2.563 90 S HA 0.149 4.620 4.470 0.001 0.000 0.294 90 S C -0.328 174.237 174.600 -0.058 0.000 1.279 90 S CA 0.234 58.371 58.200 -0.106 0.000 1.069 90 S CB 0.132 63.210 63.200 -0.203 0.000 0.828 90 S HN 0.329 8.639 8.310 0.000 0.000 0.497 91 K N 3.864 124.244 120.400 -0.033 0.000 2.589 91 K HA 0.241 4.562 4.320 0.001 0.000 0.253 91 K C -1.579 175.048 176.600 0.045 0.000 0.974 91 K CA -0.606 55.689 56.287 0.014 0.000 0.835 91 K CB 0.695 33.199 32.500 0.006 0.000 1.272 91 K HN 0.630 8.880 8.250 0.000 0.000 0.444 92 Y N 5.877 126.163 120.300 -0.024 0.000 2.717 92 Y HA 0.118 4.668 4.550 0.001 0.000 0.330 92 Y C -1.436 174.460 175.900 -0.007 0.000 1.217 92 Y CA -0.595 57.500 58.100 -0.009 0.000 1.506 92 Y CB 0.903 39.363 38.460 0.000 0.000 1.268 92 Y HN 0.554 8.834 8.280 0.000 0.000 0.561 93 P HA 0.095 4.515 4.420 0.000 0.000 0.261 93 P C -0.960 176.099 177.300 -0.401 0.000 1.352 93 P CA 0.299 62.773 63.100 -1.042 0.000 0.891 93 P CB 0.325 31.472 31.700 -0.920 0.000 1.383 94 N N 0.643 119.227 118.700 -0.192 0.000 3.234 94 N HA 0.116 4.856 4.740 0.001 0.000 0.272 94 N C -0.221 175.251 175.510 -0.064 0.000 1.254 94 N CA -0.164 52.824 53.050 -0.104 0.000 1.087 94 N CB -0.038 38.401 38.487 -0.081 0.000 1.356 94 N HN 0.101 8.481 8.380 0.000 0.000 0.511 95 c N 0.983 119.563 118.600 -0.033 0.000 2.652 95 c HA 0.728 5.299 4.570 0.001 0.000 0.412 95 c C 1.013 175.043 174.090 -0.101 0.000 1.294 95 c CA -0.546 55.752 56.329 -0.051 0.000 2.127 95 c CB -0.201 42.370 42.510 0.101 0.000 2.691 95 c HN 0.640 8.870 8.230 0.000 0.000 0.615 96 A N 2.105 124.742 122.820 -0.305 0.000 2.520 96 A HA 0.798 5.119 4.320 0.001 0.000 0.298 96 A C -1.705 175.612 177.584 -0.446 0.000 1.051 96 A CA -0.391 51.522 52.037 -0.206 0.000 0.690 96 A CB 0.842 19.779 19.000 -0.106 0.000 1.281 96 A HN 0.770 8.920 8.150 0.000 0.000 0.402 97 Y N 0.561 120.878 120.300 0.028 0.000 2.512 97 Y HA 0.568 5.118 4.550 0.001 0.000 0.348 97 Y C 0.204 176.130 175.900 0.043 0.000 0.990 97 Y CA -0.590 57.534 58.100 0.039 0.000 1.033 97 Y CB 2.357 40.847 38.460 0.050 0.000 1.259 97 Y HN 0.735 9.015 8.280 0.000 0.000 0.461 98 K N 1.207 121.721 120.400 0.189 0.000 2.172 98 K HA 0.508 4.828 4.320 0.001 0.000 0.276 98 K C -0.938 175.762 176.600 0.166 0.000 1.013 98 K CA -0.323 56.047 56.287 0.139 0.000 0.913 98 K CB 0.903 33.457 32.500 0.090 0.000 1.055 98 K HN 0.703 8.953 8.250 0.000 0.000 0.461 99 T N 2.698 117.336 114.554 0.141 0.000 2.795 99 T HA 0.277 4.627 4.350 0.001 0.000 0.282 99 T C -0.948 173.811 174.700 0.098 0.000 0.980 99 T CA -0.341 61.847 62.100 0.147 0.000 1.012 99 T CB 1.364 70.330 68.868 0.164 0.000 0.936 99 T HN 0.544 8.784 8.240 0.000 0.000 0.457 100 T N 4.680 119.286 114.554 0.087 0.000 2.890 100 T HA 0.298 4.649 4.350 0.001 0.000 0.295 100 T C -0.460 174.266 174.700 0.042 0.000 0.993 100 T CA -0.938 61.195 62.100 0.056 0.000 0.979 100 T CB 1.361 70.262 68.868 0.055 0.000 0.967 100 T HN 0.366 8.606 8.240 0.000 0.000 0.441 101 Q N 1.736 121.548 119.800 0.020 0.000 2.327 101 Q HA 0.739 5.080 4.340 0.001 0.000 0.254 101 Q C -0.277 175.735 176.000 0.020 0.000 0.952 101 Q CA -0.367 55.443 55.803 0.012 0.000 0.884 101 Q CB 1.578 30.307 28.738 -0.016 0.000 1.224 101 Q HN 0.855 9.125 8.270 0.000 0.000 0.422 102 A N 2.427 125.263 122.820 0.026 0.000 2.594 102 A HA 0.665 4.986 4.320 0.001 0.000 0.291 102 A C -1.189 176.407 177.584 0.021 0.000 1.105 102 A CA -0.910 51.142 52.037 0.024 0.000 0.694 102 A CB 1.282 20.301 19.000 0.032 0.000 1.291 102 A HN 0.715 8.865 8.150 0.000 0.000 0.410 103 N N 0.616 119.322 118.700 0.009 0.000 2.569 103 N HA 0.534 5.275 4.740 0.001 0.000 0.254 103 N C -1.129 174.361 175.510 -0.033 0.000 1.004 103 N CA -0.323 52.721 53.050 -0.010 0.000 0.904 103 N CB 1.462 39.938 38.487 -0.019 0.000 1.165 103 N HN 0.554 8.934 8.380 0.000 0.000 0.513 104 K N 0.382 120.762 120.400 -0.033 0.000 2.509 104 K HA 0.393 4.714 4.320 0.001 0.000 0.266 104 K C -0.983 175.577 176.600 -0.067 0.000 0.987 104 K CA -0.891 55.374 56.287 -0.037 0.000 0.868 104 K CB 1.791 34.323 32.500 0.053 0.000 1.421 104 K HN 0.441 8.691 8.250 0.000 0.000 0.444 105 H N 1.900 120.994 119.070 0.040 0.000 2.848 105 H HA 0.116 4.672 4.556 0.001 0.000 0.341 105 H C 0.228 175.563 175.328 0.011 0.000 1.060 105 H CA 0.184 56.247 56.048 0.024 0.000 1.444 105 H CB 0.383 30.150 29.762 0.009 0.000 1.446 105 H HN 0.478 8.758 8.280 0.000 0.000 0.583 106 I N 0.681 121.312 120.570 0.101 0.000 2.499 106 I HA 0.456 4.627 4.170 0.001 0.000 0.296 106 I C -0.346 175.678 176.117 -0.156 0.000 0.992 106 I CA -0.690 60.599 61.300 -0.018 0.000 1.297 106 I CB 1.093 39.132 38.000 0.065 0.000 1.410 106 I HN 0.331 8.541 8.210 0.000 0.000 0.507 107 I N 6.283 126.628 120.570 -0.376 0.000 2.418 107 I HA 0.451 4.622 4.170 0.001 0.000 0.287 107 I C -0.438 175.385 176.117 -0.490 0.000 1.008 107 I CA -0.905 60.198 61.300 -0.327 0.000 1.104 107 I CB 1.889 39.743 38.000 -0.243 0.000 1.264 107 I HN 0.564 8.774 8.210 0.000 0.000 0.438 108 V N 2.661 122.392 119.914 -0.304 0.000 2.864 108 V HA 0.923 5.044 4.120 0.001 0.000 0.314 108 V C -0.034 175.997 176.094 -0.105 0.000 1.073 108 V CA -0.738 61.398 62.300 -0.273 0.000 0.956 108 V CB 1.722 33.384 31.823 -0.267 0.000 1.023 108 V HN 0.742 8.932 8.190 0.000 0.000 0.435 109 A N 2.185 124.993 122.820 -0.020 0.000 2.309 109 A HA 0.744 5.064 4.320 0.001 0.000 0.298 109 A C -0.065 177.460 177.584 -0.099 0.000 1.165 109 A CA -0.310 51.743 52.037 0.027 0.000 0.821 109 A CB 0.385 19.452 19.000 0.112 0.000 1.102 109 A HN 1.133 9.283 8.150 0.000 0.000 0.500 110 c N 1.438 119.941 118.600 -0.162 0.000 2.493 110 c HA 0.838 5.409 4.570 0.001 0.000 0.326 110 c C 0.187 173.989 174.090 -0.480 0.000 1.200 110 c CA -0.446 55.558 56.329 -0.542 0.000 1.739 110 c CB 0.889 42.734 42.510 -1.108 0.000 2.300 110 c HN 0.949 9.179 8.230 0.000 0.000 0.500 111 E N 0.061 120.004 120.200 -0.430 0.000 2.412 111 E HA 0.599 4.950 4.350 0.001 0.000 0.279 111 E C -0.315 176.298 176.600 0.021 0.000 0.984 111 E CA -0.224 56.139 56.400 -0.061 0.000 0.788 111 E CB 2.407 32.101 29.700 -0.010 0.000 1.277 111 E HN 1.242 9.602 8.360 0.000 0.000 0.455 112 G N 1.675 110.580 108.800 0.174 0.000 2.592 112 G HA2 -0.106 3.855 3.960 0.001 0.000 0.684 112 G HA3 -0.106 3.855 3.960 0.001 0.000 0.684 112 G C -1.243 173.746 174.900 0.148 0.000 1.291 112 G CA -0.545 44.623 45.100 0.114 0.000 0.891 112 G HN 0.495 8.785 8.290 0.000 0.000 0.544 113 N N 1.164 119.911 118.700 0.078 0.000 2.640 113 N HA 0.563 5.304 4.740 0.001 0.000 0.262 113 N C -1.802 173.730 175.510 0.036 0.000 1.174 113 N CA -0.903 52.182 53.050 0.058 0.000 0.791 113 N CB 1.097 39.602 38.487 0.030 0.000 1.279 113 N HN 0.719 9.099 8.380 0.000 0.000 0.535 114 P HA 0.204 4.624 4.420 0.000 0.000 0.276 114 P C -1.101 176.253 177.300 0.091 0.000 1.244 114 P CA -0.254 62.876 63.100 0.050 0.000 0.801 114 P CB 0.673 32.388 31.700 0.025 0.000 1.006 115 Y N 2.251 122.508 120.300 -0.072 0.000 2.452 115 Y HA 0.361 4.912 4.550 0.001 0.000 0.348 115 Y C 0.075 175.899 175.900 -0.127 0.000 0.985 115 Y CA -0.401 57.640 58.100 -0.099 0.000 1.214 115 Y CB -0.027 38.358 38.460 -0.126 0.000 1.136 115 Y HN 0.241 8.521 8.280 0.000 0.000 0.523 116 V N 4.124 123.858 119.914 -0.300 0.000 3.130 116 V HA 0.735 4.856 4.120 0.001 0.000 0.310 116 V C -2.963 172.864 176.094 -0.444 0.000 1.158 116 V CA -3.318 58.796 62.300 -0.309 0.000 1.029 116 V CB 1.964 33.688 31.823 -0.167 0.000 1.057 116 V HN 0.501 8.691 8.190 0.000 0.000 0.436 117 P HA 0.254 4.674 4.420 0.000 0.000 0.267 117 P C 0.471 177.384 177.300 -0.645 0.000 1.205 117 P CA 0.343 62.983 63.100 -0.767 0.000 0.765 117 P CB 0.942 31.829 31.700 -1.355 0.000 0.828 118 V N -0.076 119.636 119.914 -0.337 0.000 3.502 118 V HA 0.370 4.490 4.120 0.001 0.000 0.288 118 V C 0.017 176.261 176.094 0.251 0.000 1.461 118 V CA 0.236 62.529 62.300 -0.011 0.000 1.029 118 V CB -0.819 31.001 31.823 -0.004 0.000 0.843 118 V HN 0.585 8.775 8.190 0.000 0.000 0.438 119 H N -0.253 118.890 119.070 0.122 0.000 3.029 119 H HA 0.576 5.133 4.556 0.001 0.000 0.358 119 H C -1.981 173.470 175.328 0.205 0.000 1.129 119 H CA -0.837 55.345 56.048 0.223 0.000 1.230 119 H CB 1.867 31.679 29.762 0.084 0.000 1.827 119 H HN 0.131 8.411 8.280 0.000 0.000 0.530 120 F N 4.703 124.299 119.950 -0.589 0.000 2.404 120 F HA 0.229 4.756 4.527 0.001 0.000 0.358 120 F C 0.435 175.686 175.800 -0.916 0.000 1.120 120 F CA -0.150 57.434 58.000 -0.694 0.000 1.144 120 F CB 1.002 39.259 39.000 -1.239 0.000 1.133 120 F HN 0.809 9.109 8.300 0.000 0.000 0.495 121 D N 3.595 123.494 120.400 -0.834 0.000 2.290 121 D HA 0.402 5.043 4.640 0.001 0.000 0.224 121 D C -0.362 175.820 176.300 -0.197 0.000 0.967 121 D CA 1.063 54.850 54.000 -0.355 0.000 0.893 121 D CB 0.488 41.219 40.800 -0.115 0.000 1.037 121 D HN 0.585 8.955 8.370 0.000 0.000 0.477 122 A N -1.019 121.586 122.820 -0.358 0.000 2.586 122 A HA 0.587 4.907 4.320 0.001 0.000 0.291 122 A C -1.371 176.164 177.584 -0.083 0.000 1.062 122 A CA -0.317 51.669 52.037 -0.085 0.000 0.666 122 A CB 0.959 19.929 19.000 -0.051 0.000 1.281 122 A HN 0.179 8.329 8.150 0.000 0.000 0.421 123 S N -0.391 115.366 115.700 0.094 0.000 2.526 123 S HA 0.896 5.367 4.470 0.001 0.000 0.293 123 S C -0.198 174.453 174.600 0.086 0.000 1.092 123 S CA 0.008 58.274 58.200 0.110 0.000 0.980 123 S CB 1.138 64.455 63.200 0.196 0.000 1.048 123 S HN 2.307 10.617 8.310 0.000 0.000 0.483 124 V N 0.000 119.977 119.914 0.105 0.000 2.409 124 V HA 0.000 4.121 4.120 0.001 0.000 0.244 124 V CA 0.000 62.363 62.300 0.105 0.000 1.235 124 V CB 0.000 31.857 31.823 0.056 0.000 1.184 124 V HN 0.000 8.190 8.190 0.000 0.000 0.556