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 2cpc_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGTDV SSWIVYPSGK VYVAAVRLER VVLTCELCRP WAEVRWTKDG DATA SEQUENCE EEVVESPALL LQKEDTVRRL VLPAVQLEDS GEYLCEIDDE SASFTVTVTE DATA SEQUENCE PPVRIIYSGP SSG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.898 174.900 -0.004 0.000 0.946 1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 2 S N -1.068 114.630 115.700 -0.003 0.000 3.549 2 S HA -0.262 4.206 4.470 -0.003 0.000 0.366 2 S C -1.328 173.269 174.600 -0.005 0.000 1.012 2 S CA 0.666 58.864 58.200 -0.003 0.000 1.141 2 S CB -0.238 62.962 63.200 -0.002 0.000 0.910 2 S HN -0.118 8.190 8.310 -0.003 0.000 0.471 3 S N 0.681 116.377 115.700 -0.007 0.000 2.532 3 S HA 0.186 4.651 4.470 -0.010 0.000 0.301 3 S C 0.903 175.497 174.600 -0.010 0.000 1.083 3 S CA -0.698 57.496 58.200 -0.010 0.000 1.025 3 S CB 0.912 64.104 63.200 -0.014 0.000 1.056 3 S HN -0.517 7.780 8.310 -0.006 0.009 0.494 4 G N 2.744 111.537 108.800 -0.012 0.000 2.418 4 G HA2 0.009 3.962 3.960 -0.013 0.000 0.276 4 G HA3 0.009 3.960 3.960 -0.016 0.000 0.276 4 G C -1.161 173.733 174.900 -0.011 0.000 1.442 4 G CA -0.015 45.077 45.100 -0.013 0.000 1.066 4 G HN 0.133 8.416 8.290 -0.013 0.000 0.553 5 S N -1.067 114.627 115.700 -0.011 0.000 2.653 5 S HA 0.261 4.734 4.470 0.005 0.000 0.268 5 S C -1.684 172.915 174.600 -0.001 0.000 1.153 5 S CA 0.961 59.160 58.200 -0.001 0.000 1.036 5 S CB 0.449 63.648 63.200 -0.001 0.000 1.103 5 S HN -0.071 8.227 8.310 -0.019 0.000 0.466 6 S N 4.322 120.037 115.700 0.024 0.000 2.697 6 S HA 0.577 5.050 4.470 0.005 0.000 0.289 6 S C -1.054 173.607 174.600 0.102 0.000 1.149 6 S CA -0.178 58.045 58.200 0.040 0.000 0.850 6 S CB 1.189 64.413 63.200 0.040 0.000 1.151 6 S HN 0.047 8.378 8.310 0.035 0.000 0.491 7 G N 0.124 108.999 108.800 0.125 0.000 2.655 7 G HA2 0.556 4.649 3.960 0.222 0.000 0.296 7 G HA3 0.556 4.582 3.960 0.109 0.000 0.296 7 G C -2.380 172.612 174.900 0.154 0.000 1.485 7 G CA -0.240 44.955 45.100 0.157 0.000 0.869 7 G HN 0.420 8.764 8.290 0.091 0.000 0.540 8 T N -0.124 114.525 114.554 0.158 0.000 2.831 8 T HA 0.010 4.408 4.350 0.080 0.000 0.333 8 T C -1.879 172.838 174.700 0.028 0.000 1.684 8 T CA -0.331 61.833 62.100 0.107 0.000 1.049 8 T CB 1.145 70.119 68.868 0.176 0.000 1.518 8 T HN -0.082 8.261 8.240 0.171 0.000 0.491 9 D N 3.995 124.393 120.400 -0.003 0.000 2.422 9 D HA -0.066 4.549 4.640 -0.041 0.000 0.263 9 D C -1.008 175.214 176.300 -0.130 0.000 1.334 9 D CA 0.400 54.371 54.000 -0.048 0.000 1.105 9 D CB -0.929 39.852 40.800 -0.033 0.000 1.107 9 D HN 0.017 8.398 8.370 0.018 0.000 0.522 10 V N 2.146 121.935 119.914 -0.208 0.000 2.656 10 V HA 0.245 4.146 4.120 -0.366 0.000 0.307 10 V C -1.006 174.892 176.094 -0.326 0.000 1.051 10 V CA -0.806 61.249 62.300 -0.407 0.000 0.893 10 V CB 2.942 34.226 31.823 -0.898 0.000 0.999 10 V HN -0.271 7.830 8.190 -0.149 0.000 0.426 11 S N 4.944 120.467 115.700 -0.294 0.000 2.433 11 S HA 0.114 4.499 4.470 -0.142 0.000 0.216 11 S C -0.314 174.175 174.600 -0.185 0.000 1.031 11 S CA 0.475 58.564 58.200 -0.185 0.000 0.931 11 S CB 0.295 63.420 63.200 -0.124 0.000 0.875 11 S HN 0.195 8.317 8.310 -0.312 0.000 0.553 12 S N 1.146 116.727 115.700 -0.198 0.000 2.733 12 S HA 0.147 4.580 4.470 -0.062 0.000 0.307 12 S C -0.669 173.870 174.600 -0.102 0.000 1.127 12 S CA -0.967 57.168 58.200 -0.108 0.000 1.097 12 S CB 1.291 64.463 63.200 -0.047 0.000 1.003 12 S HN -0.332 7.849 8.310 -0.215 0.000 0.477 13 W N 2.070 123.357 121.300 -0.021 0.000 2.335 13 W HA -0.283 4.356 4.660 -0.035 0.000 0.311 13 W C 0.551 177.052 176.519 -0.031 0.000 1.213 13 W CA 1.417 58.744 57.345 -0.030 0.000 1.274 13 W CB 0.317 29.760 29.460 -0.028 0.000 1.148 13 W HN 0.150 8.395 8.180 0.107 0.000 0.498 14 I N -2.388 118.307 120.570 0.208 0.000 2.453 14 I HA -0.222 4.026 4.170 0.130 0.000 0.300 14 I C 0.048 176.218 176.117 0.088 0.000 1.159 14 I CA 0.239 61.610 61.300 0.117 0.000 1.379 14 I CB -1.109 36.923 38.000 0.054 0.000 1.460 14 I HN -0.632 7.704 8.210 0.210 0.000 0.601 15 V N 7.652 127.631 119.914 0.110 0.000 2.667 15 V HA -0.228 3.929 4.120 0.061 0.000 0.252 15 V C -1.009 175.193 176.094 0.180 0.000 1.065 15 V CA 0.158 62.520 62.300 0.103 0.000 1.083 15 V CB 0.661 32.534 31.823 0.084 0.000 0.692 15 V HN -0.017 8.249 8.190 0.128 0.000 0.468 16 Y N -2.757 117.568 120.300 0.042 0.000 2.565 16 Y HA 0.228 4.874 4.550 0.031 -0.078 0.330 16 Y C -3.172 172.791 175.900 0.106 0.000 1.150 16 Y CA -2.322 55.811 58.100 0.054 0.000 1.055 16 Y CB 1.206 39.700 38.460 0.058 0.000 1.337 16 Y HN -0.882 7.515 8.280 0.235 0.024 0.457 17 P HA 0.160 3.489 4.420 -1.819 0.000 0.273 17 P C -1.332 175.752 177.300 -0.360 0.000 1.250 17 P CA -0.282 62.184 63.100 -1.057 0.000 0.793 17 P CB 1.632 32.770 31.700 -0.937 0.000 1.011 18 S N -0.201 115.352 115.700 -0.245 0.000 3.208 18 S HA 0.079 4.492 4.470 -0.094 0.000 0.195 18 S C -0.148 174.378 174.600 -0.124 0.000 1.394 18 S CA -0.893 57.238 58.200 -0.114 0.000 1.127 18 S CB -0.316 62.862 63.200 -0.036 0.000 1.282 18 S HN 0.089 8.232 8.310 -0.277 0.000 0.513 19 G N 2.214 110.914 108.800 -0.166 0.000 2.291 19 G HA2 -0.064 3.831 3.960 -0.108 0.000 0.249 19 G HA3 -0.064 3.832 3.960 -0.106 0.000 0.249 19 G C -2.209 172.581 174.900 -0.185 0.000 1.340 19 G CA -0.489 44.529 45.100 -0.137 0.000 1.017 19 G HN -0.793 7.318 8.290 -0.211 0.053 0.470 20 K N 0.976 121.309 120.400 -0.112 0.000 2.174 20 K HA 0.159 4.378 4.320 -0.169 0.000 0.275 20 K C -0.769 175.806 176.600 -0.041 0.000 1.015 20 K CA -0.111 56.129 56.287 -0.079 0.000 0.933 20 K CB 0.920 33.453 32.500 0.055 0.000 1.025 20 K HN 0.036 8.244 8.250 -0.071 0.000 0.463 21 V N 3.354 123.238 119.914 -0.050 0.000 2.638 21 V HA 0.209 4.398 4.120 0.114 0.000 0.306 21 V C -1.707 174.527 176.094 0.233 0.000 1.052 21 V CA -0.887 61.453 62.300 0.066 0.000 0.885 21 V CB 3.502 35.289 31.823 -0.060 0.000 0.999 21 V HN -0.045 8.059 8.190 -0.143 0.000 0.424 22 Y N 5.653 125.965 120.300 0.020 0.000 2.330 22 Y HA 0.147 4.730 4.550 0.056 0.000 0.336 22 Y C -0.225 175.712 175.900 0.062 0.000 1.036 22 Y CA -1.094 57.032 58.100 0.044 0.000 1.125 22 Y CB 1.212 39.687 38.460 0.025 0.000 1.194 22 Y HN 0.278 8.783 8.280 0.375 0.000 0.469 23 V N 4.846 124.842 119.914 0.137 0.000 2.623 23 V HA 0.243 4.429 4.120 0.110 0.000 0.304 23 V C -2.069 174.056 176.094 0.052 0.000 1.054 23 V CA -0.885 61.471 62.300 0.093 0.000 0.882 23 V CB 3.895 35.758 31.823 0.067 0.000 1.002 23 V HN 0.910 9.037 8.190 0.052 0.094 0.424 24 A N 7.473 130.324 122.820 0.052 0.000 2.271 24 A HA 0.628 5.113 4.320 0.031 -0.146 0.317 24 A C -1.451 176.140 177.584 0.012 0.000 1.245 24 A CA -1.169 50.889 52.037 0.035 0.000 0.857 24 A CB 1.253 20.282 19.000 0.049 0.000 1.175 24 A HN 0.368 8.554 8.150 0.060 0.000 0.512 25 A N 4.848 127.667 122.820 -0.002 0.000 2.387 25 A HA 0.599 4.911 4.320 -0.014 0.000 0.298 25 A C -2.620 174.960 177.584 -0.005 0.000 1.165 25 A CA -1.870 50.159 52.037 -0.014 0.000 0.814 25 A CB 2.704 21.680 19.000 -0.040 0.000 1.357 25 A HN 0.770 8.920 8.150 0.002 0.000 0.443 26 V N -3.317 116.592 119.914 -0.009 0.000 2.914 26 V HA 0.422 4.685 4.120 0.002 -0.142 0.314 26 V C -0.989 175.102 176.094 -0.005 0.000 1.084 26 V CA -2.765 59.534 62.300 -0.003 0.000 0.963 26 V CB 3.765 35.588 31.823 -0.000 0.000 1.025 26 V HN -0.069 8.111 8.190 -0.016 0.000 0.432 27 R N 3.445 123.945 120.500 -0.000 0.000 2.526 27 R HA -0.368 3.972 4.340 -0.000 0.000 0.319 27 R C 0.152 176.450 176.300 -0.004 0.000 0.888 27 R CA 1.536 57.636 56.100 -0.000 0.000 1.127 27 R CB -0.187 30.115 30.300 0.003 0.000 0.888 27 R HN -0.353 7.918 8.270 0.003 0.000 0.410 28 L N -0.125 121.094 121.223 -0.008 0.000 3.730 28 L HA -0.432 3.975 4.340 -0.014 -0.075 0.410 28 L C -1.127 175.733 176.870 -0.017 0.000 1.234 28 L CA 0.845 55.678 54.840 -0.012 0.000 0.911 28 L CB -2.539 39.516 42.059 -0.006 0.000 1.942 28 L HN 0.519 8.632 8.230 -0.008 0.113 0.860 29 E N -0.839 119.347 120.200 -0.022 0.000 2.227 29 E HA 0.036 4.373 4.350 -0.021 0.000 0.268 29 E C -0.673 175.902 176.600 -0.041 0.000 0.990 29 E CA -1.505 54.879 56.400 -0.027 0.000 0.856 29 E CB 2.703 32.389 29.700 -0.024 0.000 1.159 29 E HN -0.535 7.812 8.360 -0.023 0.000 0.401 30 R N 5.232 125.707 120.500 -0.041 0.000 2.215 30 R HA 0.236 4.813 4.340 -0.062 -0.275 0.337 30 R C -0.812 175.451 176.300 -0.062 0.000 1.010 30 R CA -1.437 54.631 56.100 -0.053 0.000 0.871 30 R CB -0.453 29.822 30.300 -0.042 0.000 1.134 30 R HN 0.182 8.433 8.270 -0.032 0.000 0.477 31 V N 4.145 124.004 119.914 -0.091 0.000 2.975 31 V HA 0.371 4.446 4.120 -0.075 0.000 0.318 31 V C -2.257 173.760 176.094 -0.128 0.000 1.077 31 V CA -2.699 59.537 62.300 -0.106 0.000 1.000 31 V CB 2.706 34.443 31.823 -0.144 0.000 1.066 31 V HN -0.141 7.986 8.190 -0.105 0.000 0.452 32 V N 1.772 121.618 119.914 -0.114 0.000 2.509 32 V HA 0.174 4.335 4.120 -0.157 -0.135 0.289 32 V C -1.013 175.013 176.094 -0.113 0.000 1.026 32 V CA -0.563 61.668 62.300 -0.116 0.000 0.872 32 V CB 1.560 33.346 31.823 -0.062 0.000 1.017 32 V HN 0.099 8.236 8.190 -0.089 0.000 0.436 33 L N 9.120 130.215 121.223 -0.213 0.000 2.349 33 L HA 0.220 4.474 4.340 -0.143 0.000 0.275 33 L C -0.810 176.030 176.870 -0.051 0.000 1.115 33 L CA -0.325 54.373 54.840 -0.237 0.000 0.820 33 L CB 1.078 42.783 42.059 -0.590 0.000 1.135 33 L HN -0.047 8.008 8.230 -0.291 0.000 0.445 34 T N 5.194 119.830 114.554 0.137 0.000 2.770 34 T HA 0.182 4.656 4.350 0.207 0.000 0.297 34 T C -1.192 173.843 174.700 0.558 0.000 0.997 34 T CA 0.075 62.371 62.100 0.327 0.000 0.949 34 T CB 0.651 69.774 68.868 0.424 0.000 0.941 34 T HN 0.038 8.391 8.240 0.188 0.000 0.457 35 C N 8.119 127.680 119.300 0.435 0.000 2.478 35 C HA 0.297 5.302 4.460 0.631 -0.166 0.334 35 C C -2.300 172.878 174.990 0.314 0.000 1.106 35 C CA -1.097 58.200 59.018 0.464 0.000 1.363 35 C CB 2.505 30.453 27.740 0.346 0.000 1.941 35 C HN 0.783 9.197 8.230 0.306 0.000 0.436 36 E N 7.629 128.037 120.200 0.346 0.000 2.250 36 E HA 0.263 4.683 4.350 0.117 0.000 0.265 36 E C -1.726 174.962 176.600 0.147 0.000 1.033 36 E CA -1.212 55.289 56.400 0.169 0.000 0.888 36 E CB 2.633 32.376 29.700 0.072 0.000 1.151 36 E HN -0.021 8.699 8.360 0.600 0.000 0.412 37 L N -2.015 119.258 121.223 0.083 0.000 2.376 37 L HA 0.493 5.024 4.340 0.118 -0.120 0.258 37 L C 0.021 176.911 176.870 0.034 0.000 1.013 37 L CA -1.829 53.061 54.840 0.083 0.000 0.822 37 L CB 3.805 45.907 42.059 0.072 0.000 1.388 37 L HN -0.249 8.012 8.230 0.052 0.000 0.413 38 C N -2.259 117.066 119.300 0.040 0.000 2.578 38 C HA 0.008 4.442 4.460 -0.043 0.000 0.285 38 C C -0.191 174.730 174.990 -0.116 0.000 1.297 38 C CA -0.509 58.484 59.018 -0.041 0.000 1.690 38 C CB 0.883 28.576 27.740 -0.079 0.000 1.773 38 C HN 0.222 8.518 8.230 0.110 0.000 0.594 39 R N -0.371 120.048 120.500 -0.135 0.000 2.584 39 R HA 0.323 4.364 4.340 -0.499 0.000 0.276 39 R C -1.624 174.418 176.300 -0.429 0.000 1.046 39 R CA -2.892 52.951 56.100 -0.429 0.000 0.906 39 R CB 1.666 31.639 30.300 -0.545 0.000 1.215 39 R HN -0.545 7.595 8.270 -0.045 0.102 0.449 40 P HA 0.165 4.494 4.420 -0.152 0.000 0.215 40 P C 0.135 177.326 177.300 -0.182 0.000 1.157 40 P CA 2.016 64.946 63.100 -0.284 0.000 0.859 40 P CB 0.625 32.217 31.700 -0.181 0.000 0.786 41 W N -6.148 115.189 121.300 0.062 0.000 3.434 41 W HA -0.041 4.635 4.660 0.027 0.000 0.297 41 W C -1.155 175.374 176.519 0.017 0.000 1.295 41 W CA -2.139 55.229 57.345 0.038 0.000 1.731 41 W CB -1.636 27.847 29.460 0.039 0.000 1.070 41 W HN -0.196 7.201 8.180 -1.305 0.000 0.726 42 A N 1.763 124.566 122.820 -0.027 0.000 2.350 42 A HA 0.051 4.366 4.320 -0.008 0.000 0.293 42 A C -0.964 176.581 177.584 -0.064 0.000 1.231 42 A CA -0.654 51.342 52.037 -0.067 0.000 0.883 42 A CB 0.144 19.073 19.000 -0.119 0.000 1.133 42 A HN -0.804 6.995 8.150 -0.212 0.223 0.533 43 E N 5.177 125.334 120.200 -0.071 0.000 2.313 43 E HA 0.017 4.358 4.350 -0.014 0.000 0.276 43 E C -0.860 175.666 176.600 -0.124 0.000 1.031 43 E CA -0.353 56.012 56.400 -0.057 0.000 0.857 43 E CB 1.125 30.808 29.700 -0.029 0.000 1.040 43 E HN 0.105 8.425 8.360 -0.067 0.000 0.408 44 V N 0.513 120.381 119.914 -0.076 0.000 3.103 44 V HA 0.257 4.268 4.120 -0.180 0.000 0.318 44 V C -1.311 174.739 176.094 -0.074 0.000 1.114 44 V CA -2.401 59.824 62.300 -0.125 0.000 1.020 44 V CB 2.772 34.502 31.823 -0.155 0.000 1.085 44 V HN -0.034 8.145 8.190 -0.019 0.000 0.446 45 R N 1.329 121.744 120.500 -0.142 0.000 2.522 45 R HA 0.343 4.744 4.340 0.102 0.000 0.283 45 R C -1.904 174.348 176.300 -0.081 0.000 1.074 45 R CA -0.795 55.288 56.100 -0.028 0.000 0.925 45 R CB 3.622 33.912 30.300 -0.015 0.000 1.205 45 R HN 0.701 8.730 8.270 -0.232 0.102 0.436 46 W N 3.857 125.171 121.300 0.024 0.000 2.351 46 W HA 0.208 5.020 4.660 0.069 -0.111 0.311 46 W C -0.236 176.292 176.519 0.015 0.000 1.168 46 W CA -0.976 56.397 57.345 0.047 0.000 1.200 46 W CB 1.319 30.823 29.460 0.073 0.000 1.221 46 W HN 0.466 8.930 8.180 0.473 0.000 0.519 47 T N -0.801 113.868 114.554 0.191 0.000 2.824 47 T HA 0.712 5.199 4.350 0.064 -0.100 0.282 47 T C -1.365 173.338 174.700 0.005 0.000 0.993 47 T CA -1.388 60.756 62.100 0.073 0.000 0.967 47 T CB 2.631 71.516 68.868 0.029 0.000 0.960 47 T HN 1.148 9.388 8.240 0.194 0.116 0.441 48 K N 5.697 126.048 120.400 -0.082 0.000 2.389 48 K HA 0.400 4.718 4.320 -0.254 -0.150 0.261 48 K C -0.221 176.304 176.600 -0.124 0.000 1.014 48 K CA -0.899 55.262 56.287 -0.210 0.000 0.920 48 K CB 1.666 33.948 32.500 -0.362 0.000 1.149 48 K HN 0.681 8.808 8.250 -0.053 0.091 0.444 49 D N 6.225 126.570 120.400 -0.091 0.000 2.739 49 D HA -0.288 4.326 4.640 -0.043 0.000 0.240 49 D C 0.073 176.352 176.300 -0.036 0.000 1.114 49 D CA 1.262 55.229 54.000 -0.055 0.000 0.695 49 D CB -1.492 39.273 40.800 -0.059 0.000 1.078 49 D HN 0.470 8.785 8.370 -0.091 0.000 0.434 50 G N -4.303 104.481 108.800 -0.027 0.000 2.396 50 G HA2 -0.497 3.456 3.960 -0.012 0.000 0.242 50 G HA3 -0.497 3.454 3.960 -0.015 0.000 0.242 50 G C -0.209 174.682 174.900 -0.015 0.000 1.069 50 G CA 0.184 45.274 45.100 -0.017 0.000 0.633 50 G HN 0.452 8.726 8.290 -0.026 0.000 0.517 51 E N 1.085 121.272 120.200 -0.022 0.000 2.345 51 E HA 0.154 4.498 4.350 -0.010 0.000 0.259 51 E C -1.451 175.144 176.600 -0.008 0.000 1.117 51 E CA -0.889 55.501 56.400 -0.017 0.000 0.913 51 E CB 1.455 31.141 29.700 -0.023 0.000 1.057 51 E HN -0.468 7.749 8.360 -0.032 0.123 0.432 52 E N 2.176 122.379 120.200 0.005 0.000 2.249 52 E HA 0.057 4.558 4.350 0.043 -0.126 0.280 52 E C 0.100 176.718 176.600 0.030 0.000 1.016 52 E CA -1.496 54.921 56.400 0.028 0.000 0.830 52 E CB 1.128 30.846 29.700 0.029 0.000 1.081 52 E HN 0.014 8.375 8.360 0.002 0.000 0.395 53 V N 3.136 123.088 119.914 0.063 0.000 2.740 53 V HA 0.005 4.133 4.120 0.013 0.000 0.303 53 V C -1.676 174.444 176.094 0.044 0.000 1.054 53 V CA 0.606 62.936 62.300 0.050 0.000 1.106 53 V CB 0.746 32.624 31.823 0.092 0.000 0.957 53 V HN 0.635 8.779 8.190 0.106 0.110 0.486 54 V N 5.630 125.557 119.914 0.021 0.000 2.495 54 V HA 0.081 4.215 4.120 0.023 0.000 0.298 54 V C -0.458 175.640 176.094 0.006 0.000 1.031 54 V CA -1.273 61.037 62.300 0.016 0.000 0.871 54 V CB 1.443 33.271 31.823 0.009 0.000 0.988 54 V HN 0.038 8.235 8.190 0.012 0.000 0.432 55 E N 5.923 126.126 120.200 0.005 0.000 2.508 55 E HA -0.168 4.173 4.350 -0.016 0.000 0.266 55 E C -1.011 175.584 176.600 -0.008 0.000 1.010 55 E CA 1.842 58.238 56.400 -0.006 0.000 0.955 55 E CB 0.434 30.132 29.700 -0.003 0.000 0.946 55 E HN 0.255 8.623 8.360 0.012 0.000 0.454 56 S N 2.217 117.909 115.700 -0.015 0.000 2.615 56 S HA 0.272 4.736 4.470 -0.010 0.000 0.268 56 S C -1.696 172.893 174.600 -0.018 0.000 1.146 56 S CA -1.723 56.470 58.200 -0.013 0.000 0.818 56 S CB 0.006 63.200 63.200 -0.009 0.000 1.111 56 S HN -0.246 8.051 8.310 -0.022 0.000 0.465 57 P HA -0.047 4.362 4.420 -0.018 0.000 0.239 57 P C -1.264 176.024 177.300 -0.020 0.000 1.184 57 P CA 1.531 64.621 63.100 -0.017 0.000 0.760 57 P CB -0.345 31.348 31.700 -0.012 0.000 0.884 58 A N -2.612 120.195 122.820 -0.021 0.000 2.456 58 A HA 0.211 4.516 4.320 -0.024 0.000 0.237 58 A C -1.814 175.749 177.584 -0.034 0.000 1.217 58 A CA -0.495 51.528 52.037 -0.022 0.000 0.962 58 A CB 1.706 20.699 19.000 -0.012 0.000 1.079 58 A HN -0.100 7.922 8.150 -0.019 0.117 0.536 59 L N -0.353 120.846 121.223 -0.040 0.000 2.504 59 L HA 0.368 4.658 4.340 -0.083 0.000 0.265 59 L C -2.865 173.958 176.870 -0.078 0.000 0.975 59 L CA 0.099 54.901 54.840 -0.063 0.000 0.864 59 L CB 2.590 44.624 42.059 -0.041 0.000 1.212 59 L HN -0.586 7.498 8.230 -0.033 0.126 0.416 60 L N 5.965 127.127 121.223 -0.101 0.000 2.282 60 L HA 0.361 4.659 4.340 -0.071 0.000 0.288 60 L C -1.490 175.300 176.870 -0.134 0.000 1.033 60 L CA -1.261 53.523 54.840 -0.094 0.000 0.807 60 L CB 1.506 43.519 42.059 -0.077 0.000 1.209 60 L HN 0.781 8.943 8.230 -0.113 0.000 0.423 61 L N 3.602 124.760 121.223 -0.108 0.000 2.255 61 L HA 0.108 4.319 4.340 -0.214 0.000 0.289 61 L C -0.544 176.287 176.870 -0.065 0.000 1.046 61 L CA -0.638 54.130 54.840 -0.120 0.000 0.816 61 L CB -0.127 41.894 42.059 -0.065 0.000 1.197 61 L HN 0.326 8.512 8.230 -0.073 0.000 0.427 62 Q N 4.051 123.806 119.800 -0.075 0.000 2.235 62 Q HA 0.192 4.518 4.340 -0.023 0.000 0.250 62 Q C -1.181 174.830 176.000 0.017 0.000 0.909 62 Q CA -2.113 53.672 55.803 -0.031 0.000 0.910 62 Q CB 1.797 30.508 28.738 -0.045 0.000 1.223 62 Q HN 0.572 8.685 8.270 -0.130 0.079 0.432 63 K N 2.259 122.674 120.400 0.026 0.000 2.578 63 K HA 0.254 4.615 4.320 0.068 0.000 0.250 63 K C -1.189 175.431 176.600 0.033 0.000 0.955 63 K CA -0.757 55.558 56.287 0.047 0.000 0.825 63 K CB 1.884 34.415 32.500 0.052 0.000 1.151 63 K HN 0.244 8.502 8.250 0.013 0.000 0.432 64 E N 4.140 124.361 120.200 0.035 0.000 2.504 64 E HA 0.112 4.472 4.350 0.017 0.000 0.253 64 E C 0.093 176.706 176.600 0.021 0.000 1.151 64 E CA -0.805 55.608 56.400 0.022 0.000 0.972 64 E CB 2.132 31.842 29.700 0.016 0.000 1.247 64 E HN 0.595 8.889 8.360 0.047 0.094 0.519 65 D N -1.534 118.873 120.400 0.012 0.000 2.156 65 D HA -0.269 4.382 4.640 0.018 0.000 0.190 65 D C 0.955 177.257 176.300 0.002 0.000 0.998 65 D CA 3.295 57.301 54.000 0.010 0.000 0.842 65 D CB 0.171 40.974 40.800 0.004 0.000 0.974 65 D HN 0.360 8.735 8.370 0.008 0.000 0.447 66 T N -7.001 107.548 114.554 -0.009 0.000 3.040 66 T HA 0.024 4.352 4.350 -0.038 0.000 0.266 66 T C -1.557 173.141 174.700 -0.003 0.000 1.005 66 T CA 0.194 62.279 62.100 -0.025 0.000 0.906 66 T CB 0.837 69.679 68.868 -0.044 0.000 1.082 66 T HN 0.025 8.260 8.240 -0.007 0.000 0.531 67 V N 0.321 120.244 119.914 0.014 0.000 2.735 67 V HA 0.239 4.393 4.120 0.056 0.000 0.310 67 V C -2.763 173.372 176.094 0.067 0.000 1.061 67 V CA -2.537 59.788 62.300 0.041 0.000 0.913 67 V CB 2.603 34.438 31.823 0.019 0.000 1.005 67 V HN -0.572 7.570 8.190 0.010 0.054 0.428 68 R N 5.725 126.295 120.500 0.116 0.000 2.787 68 R HA 0.400 4.807 4.340 0.112 0.000 0.271 68 R C -1.699 174.712 176.300 0.186 0.000 0.993 68 R CA -1.962 54.232 56.100 0.156 0.000 0.993 68 R CB 3.437 33.868 30.300 0.218 0.000 1.155 68 R HN 0.949 9.203 8.270 0.135 0.097 0.486 69 R N -2.116 118.461 120.500 0.128 0.000 2.668 69 R HA 0.539 5.071 4.340 0.071 -0.150 0.272 69 R C -2.409 173.804 176.300 -0.144 0.000 1.019 69 R CA -1.086 55.029 56.100 0.025 0.000 0.894 69 R CB 4.650 34.946 30.300 -0.008 0.000 1.228 69 R HN 0.718 8.943 8.270 0.106 0.108 0.460 70 L N 3.576 124.573 121.223 -0.376 0.000 2.318 70 L HA 0.403 4.473 4.340 -0.450 0.000 0.277 70 L C -1.926 174.710 176.870 -0.389 0.000 1.008 70 L CA -0.813 53.689 54.840 -0.564 0.000 0.846 70 L CB 1.740 43.101 42.059 -1.163 0.000 1.220 70 L HN -0.008 8.002 8.230 -0.368 0.000 0.423 71 V N 8.567 128.325 119.914 -0.260 0.000 2.472 71 V HA 0.634 4.875 4.120 -0.195 -0.237 0.290 71 V C -1.662 174.328 176.094 -0.174 0.000 1.037 71 V CA -1.956 60.230 62.300 -0.189 0.000 0.908 71 V CB 1.972 33.722 31.823 -0.123 0.000 0.985 71 V HN 0.670 8.721 8.190 -0.231 0.000 0.454 72 L N 5.567 126.697 121.223 -0.154 0.000 2.345 72 L HA 0.553 4.826 4.340 -0.111 0.000 0.274 72 L C -1.785 175.035 176.870 -0.083 0.000 0.999 72 L CA -2.629 52.139 54.840 -0.121 0.000 0.849 72 L CB 1.411 43.389 42.059 -0.136 0.000 1.220 72 L HN -0.244 7.894 8.230 -0.153 0.000 0.422 73 P HA 0.004 4.396 4.420 -0.046 0.000 0.234 73 P C -1.001 176.277 177.300 -0.037 0.000 1.167 73 P CA 0.333 63.405 63.100 -0.047 0.000 0.763 73 P CB 0.233 31.910 31.700 -0.040 0.000 0.835 74 A N -2.123 120.674 122.820 -0.039 0.000 2.522 74 A HA 0.109 4.414 4.320 -0.026 0.000 0.290 74 A C -2.047 175.522 177.584 -0.025 0.000 1.047 74 A CA 0.118 52.139 52.037 -0.027 0.000 0.935 74 A CB 1.076 20.065 19.000 -0.019 0.000 1.451 74 A HN -0.816 7.235 8.150 -0.047 0.071 0.398 75 V N -0.817 119.083 119.914 -0.024 0.000 3.211 75 V HA 0.596 4.798 4.120 -0.010 -0.089 0.319 75 V C -1.170 174.923 176.094 -0.002 0.000 1.096 75 V CA -2.727 59.563 62.300 -0.015 0.000 1.029 75 V CB 3.692 35.498 31.823 -0.028 0.000 1.137 75 V HN -0.055 8.119 8.190 -0.026 0.000 0.453 76 Q N -0.864 118.943 119.800 0.011 0.000 2.379 76 Q HA 0.364 4.709 4.340 0.008 0.000 0.278 76 Q C 0.546 176.558 176.000 0.021 0.000 1.068 76 Q CA -1.797 54.014 55.803 0.013 0.000 0.816 76 Q CB 3.263 32.008 28.738 0.013 0.000 1.387 76 Q HN -0.172 8.288 8.270 0.021 -0.178 0.413 77 L N 2.015 123.248 121.223 0.016 0.000 2.197 77 L HA -0.353 4.000 4.340 0.020 0.000 0.215 77 L C 0.757 177.642 176.870 0.024 0.000 1.095 77 L CA 3.461 58.312 54.840 0.019 0.000 0.764 77 L CB -0.376 41.691 42.059 0.014 0.000 0.897 77 L HN 0.508 8.746 8.230 0.012 0.000 0.436 78 E N -3.918 116.295 120.200 0.022 0.000 2.106 78 E HA -0.250 4.110 4.350 0.017 0.000 0.192 78 E C 2.116 178.736 176.600 0.034 0.000 0.984 78 E CA 2.273 58.686 56.400 0.021 0.000 0.806 78 E CB -0.648 29.059 29.700 0.013 0.000 0.750 78 E HN 0.056 8.394 8.360 0.018 0.033 0.458 79 D N -1.772 118.659 120.400 0.053 0.000 2.182 79 D HA -0.204 4.483 4.640 0.079 0.000 0.201 79 D C 0.355 176.748 176.300 0.155 0.000 0.986 79 D CA 2.161 56.224 54.000 0.104 0.000 0.847 79 D CB 0.087 40.964 40.800 0.128 0.000 0.942 79 D HN -0.104 8.179 8.370 0.044 0.113 0.467 80 S N -0.781 114.984 115.700 0.108 0.000 2.629 80 S HA -0.238 4.546 4.470 0.142 -0.229 0.302 80 S C -0.062 174.594 174.600 0.093 0.000 1.244 80 S CA 1.271 59.535 58.200 0.106 0.000 1.098 80 S CB -0.521 62.712 63.200 0.055 0.000 0.858 80 S HN -0.822 7.418 8.310 0.073 0.114 0.502 81 G N 4.911 113.791 108.800 0.133 0.000 3.078 81 G HA2 0.185 4.168 3.960 0.037 0.000 0.131 81 G HA3 0.185 4.159 3.960 0.023 0.000 0.131 81 G C -2.357 172.598 174.900 0.091 0.000 1.219 81 G CA 0.573 45.713 45.100 0.066 0.000 1.319 81 G HN -0.503 7.918 8.290 0.219 0.000 0.653 82 E N 2.418 122.647 120.200 0.049 0.000 2.325 82 E HA 0.395 4.824 4.350 0.133 0.000 0.248 82 E C -1.946 174.709 176.600 0.092 0.000 0.912 82 E CA -1.080 55.370 56.400 0.084 0.000 0.782 82 E CB 2.312 32.026 29.700 0.024 0.000 1.264 82 E HN 0.168 8.511 8.360 -0.029 0.000 0.417 83 Y N 5.003 125.388 120.300 0.143 0.000 2.504 83 Y HA 0.040 4.715 4.550 0.209 0.000 0.351 83 Y C -1.288 174.807 175.900 0.324 0.000 0.988 83 Y CA 0.196 58.448 58.100 0.253 0.000 1.239 83 Y CB 0.450 39.092 38.460 0.303 0.000 1.128 83 Y HN 0.408 8.999 8.280 0.519 0.000 0.525 84 L N 4.309 125.712 121.223 0.299 0.000 2.276 84 L HA 0.667 5.382 4.340 0.209 -0.249 0.286 84 L C -0.916 176.024 176.870 0.116 0.000 1.024 84 L CA -1.692 53.261 54.840 0.188 0.000 0.826 84 L CB 1.736 43.837 42.059 0.071 0.000 1.211 84 L HN 0.744 9.087 8.230 0.187 0.000 0.422 85 C N 7.748 127.038 119.300 -0.017 0.000 2.322 85 C HA 0.134 4.376 4.460 -0.533 -0.103 0.343 85 C C -0.930 173.879 174.990 -0.303 0.000 1.190 85 C CA -1.901 56.824 59.018 -0.489 0.000 1.704 85 C CB -0.075 26.948 27.740 -1.195 0.000 2.293 85 C HN 0.825 9.129 8.230 0.123 0.000 0.523 86 E N 9.109 129.169 120.200 -0.233 0.000 2.191 86 E HA 0.533 4.985 4.350 -0.122 -0.175 0.278 86 E C -0.858 175.631 176.600 -0.184 0.000 0.972 86 E CA -1.055 55.255 56.400 -0.151 0.000 0.804 86 E CB 1.827 31.476 29.700 -0.085 0.000 1.110 86 E HN 0.855 9.083 8.360 -0.219 0.000 0.394 87 I N 3.342 123.811 120.570 -0.168 0.000 3.132 87 I HA 0.156 4.182 4.170 -0.239 0.000 0.255 87 I C -0.660 175.273 176.117 -0.307 0.000 1.118 87 I CA 1.719 62.871 61.300 -0.246 0.000 1.463 87 I CB 2.495 40.340 38.000 -0.258 0.000 1.356 87 I HN 0.093 8.232 8.210 -0.119 0.000 0.463 88 D N -1.239 118.998 120.400 -0.271 0.000 3.001 88 D HA 0.047 4.563 4.640 -0.207 0.000 0.183 88 D C -0.334 175.948 176.300 -0.028 0.000 1.502 88 D CA 0.796 54.667 54.000 -0.214 0.000 1.490 88 D CB 1.765 42.335 40.800 -0.384 0.000 1.274 88 D HN -0.260 8.008 8.370 -0.169 0.000 0.269 89 D N -2.081 118.368 120.400 0.082 0.000 2.498 89 D HA 0.098 4.765 4.640 0.046 0.000 0.223 89 D C -1.097 175.247 176.300 0.073 0.000 1.125 89 D CA 0.753 54.804 54.000 0.086 0.000 0.835 89 D CB 1.590 42.466 40.800 0.126 0.000 1.086 89 D HN -0.112 8.365 8.370 0.178 0.000 0.510 90 E N -0.671 119.583 120.200 0.090 0.000 2.264 90 E HA 0.366 4.739 4.350 0.039 0.000 0.260 90 E C -1.282 175.322 176.600 0.007 0.000 0.961 90 E CA -1.595 54.839 56.400 0.057 0.000 0.834 90 E CB 1.623 31.378 29.700 0.092 0.000 1.230 90 E HN -0.340 8.095 8.360 0.125 0.000 0.412 91 S N -1.602 114.090 115.700 -0.014 0.000 2.541 91 S HA 0.589 5.226 4.470 -0.068 -0.207 0.271 91 S C -1.191 173.371 174.600 -0.063 0.000 1.133 91 S CA -1.629 56.544 58.200 -0.046 0.000 0.876 91 S CB 3.529 66.709 63.200 -0.034 0.000 1.105 91 S HN -0.003 8.302 8.310 -0.009 0.000 0.470 92 A N 1.668 124.438 122.820 -0.084 0.000 2.292 92 A HA 0.282 4.491 4.320 -0.185 0.000 0.319 92 A C -1.273 176.209 177.584 -0.170 0.000 1.206 92 A CA -1.371 50.572 52.037 -0.157 0.000 0.835 92 A CB 2.053 20.983 19.000 -0.116 0.000 1.164 92 A HN 0.814 8.776 8.150 -0.091 0.134 0.505 93 S N 2.945 118.467 115.700 -0.296 0.000 2.465 93 S HA 0.083 4.529 4.470 -0.039 0.000 0.279 93 S C -1.315 173.049 174.600 -0.394 0.000 1.201 93 S CA -0.299 57.779 58.200 -0.203 0.000 1.053 93 S CB 0.306 63.422 63.200 -0.140 0.000 0.953 93 S HN 0.527 8.645 8.310 -0.321 0.000 0.488 94 F N 7.692 127.703 119.950 0.101 0.000 2.646 94 F HA 0.242 4.812 4.527 0.071 0.000 0.364 94 F C -0.925 174.922 175.800 0.078 0.000 1.137 94 F CA -1.232 56.840 58.000 0.121 0.000 1.085 94 F CB 2.901 42.058 39.000 0.262 0.000 1.331 94 F HN 0.679 9.130 8.300 0.252 0.000 0.472 95 T N 7.009 121.603 114.554 0.068 0.000 2.737 95 T HA 0.110 4.462 4.350 0.002 0.000 0.296 95 T C -1.199 173.492 174.700 -0.015 0.000 0.922 95 T CA 0.426 62.478 62.100 -0.080 0.000 1.079 95 T CB 0.104 68.656 68.868 -0.526 0.000 0.892 95 T HN 0.713 8.951 8.240 -0.004 0.000 0.514 96 V N 9.882 129.819 119.914 0.040 0.000 2.327 96 V HA 0.441 4.793 4.120 -0.021 -0.245 0.272 96 V C -1.318 174.789 176.094 0.022 0.000 1.019 96 V CA -0.896 61.401 62.300 -0.005 0.000 0.814 96 V CB 0.586 32.327 31.823 -0.138 0.000 1.040 96 V HN 0.097 8.357 8.190 0.115 0.000 0.440 97 T N 10.100 124.658 114.554 0.006 0.000 2.743 97 T HA 0.143 4.509 4.350 0.027 0.000 0.293 97 T C -1.719 172.991 174.700 0.017 0.000 0.945 97 T CA 0.530 62.641 62.100 0.017 0.000 1.030 97 T CB 0.805 69.684 68.868 0.018 0.000 0.912 97 T HN 0.203 8.441 8.240 -0.002 0.000 0.483 98 V N 8.554 128.480 119.914 0.021 0.000 2.435 98 V HA 0.571 4.854 4.120 0.009 -0.158 0.290 98 V C 0.166 176.270 176.094 0.016 0.000 1.030 98 V CA -1.534 60.775 62.300 0.015 0.000 0.881 98 V CB 1.804 33.636 31.823 0.015 0.000 0.983 98 V HN 0.525 8.732 8.190 0.029 0.000 0.445 99 T N 4.307 118.869 114.554 0.013 0.000 2.888 99 T HA 0.361 4.719 4.350 0.014 0.000 0.288 99 T C -1.040 173.667 174.700 0.011 0.000 1.063 99 T CA -2.403 59.705 62.100 0.014 0.000 1.010 99 T CB 2.426 71.304 68.868 0.016 0.000 1.214 99 T HN 0.145 8.391 8.240 0.011 0.000 0.533 100 E N 0.235 120.441 120.200 0.010 0.000 2.344 100 E HA 0.129 4.483 4.350 0.008 0.000 0.270 100 E C -1.134 175.471 176.600 0.009 0.000 1.021 100 E CA -1.790 54.615 56.400 0.009 0.000 0.887 100 E CB -0.266 29.439 29.700 0.008 0.000 0.997 100 E HN 0.109 8.476 8.360 0.011 0.000 0.429 101 P HA 0.139 4.564 4.420 0.008 0.000 0.273 101 P C -1.876 175.429 177.300 0.010 0.000 1.250 101 P CA -1.232 61.873 63.100 0.008 0.000 0.793 101 P CB -0.323 31.382 31.700 0.008 0.000 1.011 102 P HA -0.012 4.414 4.420 0.011 0.000 0.274 102 P C -0.396 176.912 177.300 0.013 0.000 1.260 102 P CA -0.550 62.557 63.100 0.011 0.000 0.793 102 P CB 0.617 32.323 31.700 0.010 0.000 1.048 103 V N 0.704 120.627 119.914 0.014 0.000 2.584 103 V HA -0.180 3.951 4.120 0.019 0.000 0.303 103 V C 0.154 176.261 176.094 0.023 0.000 1.035 103 V CA 1.530 63.841 62.300 0.018 0.000 1.172 103 V CB 0.849 32.682 31.823 0.018 0.000 0.896 103 V HN 0.018 8.215 8.190 0.013 0.000 0.486 104 R N 6.464 126.982 120.500 0.031 0.000 2.622 104 R HA -0.013 4.345 4.340 0.030 0.000 0.180 104 R C -0.750 175.587 176.300 0.062 0.000 0.813 104 R CA -0.080 56.042 56.100 0.037 0.000 1.049 104 R CB 0.914 31.233 30.300 0.032 0.000 1.438 104 R HN 0.118 8.408 8.270 0.032 0.000 0.636 105 I N 1.708 122.325 120.570 0.079 0.000 2.792 105 I HA -0.181 4.109 4.170 0.199 0.000 0.284 105 I C -0.305 175.918 176.117 0.177 0.000 1.166 105 I CA 1.035 62.423 61.300 0.147 0.000 1.375 105 I CB -0.834 37.223 38.000 0.095 0.000 1.421 105 I HN -0.073 8.172 8.210 0.058 0.000 0.544 106 I N 8.049 128.748 120.570 0.215 0.000 2.448 106 I HA 0.129 4.398 4.170 0.165 0.000 0.281 106 I C -1.311 174.923 176.117 0.196 0.000 1.027 106 I CA -0.402 61.000 61.300 0.169 0.000 1.111 106 I CB 0.706 38.744 38.000 0.064 0.000 1.236 106 I HN 0.024 8.348 8.210 0.191 0.000 0.452 107 Y N 6.533 126.833 120.300 -0.000 0.000 2.352 107 Y HA 0.281 4.830 4.550 -0.001 0.000 0.339 107 Y C -0.002 175.897 175.900 -0.000 0.000 0.992 107 Y CA -0.052 58.047 58.100 -0.000 0.000 1.100 107 Y CB 1.047 39.507 38.460 -0.000 0.000 1.192 107 Y HN 0.255 8.748 8.280 0.354 0.000 0.458 108 S N 2.071 117.812 115.700 0.069 0.000 2.569 108 S HA 0.430 4.939 4.470 0.066 0.000 0.280 108 S C -0.550 174.067 174.600 0.027 0.000 1.111 108 S CA -0.335 57.892 58.200 0.045 0.000 0.887 108 S CB 1.014 64.224 63.200 0.016 0.000 1.095 108 S HN 0.244 8.543 8.310 -0.019 0.000 0.476 109 G N 1.449 110.267 108.800 0.028 0.000 2.340 109 G HA2 0.022 3.987 3.960 0.009 0.000 0.298 109 G HA3 0.022 3.998 3.960 0.026 0.000 0.298 109 G C -3.112 171.800 174.900 0.020 0.000 1.498 109 G CA -0.142 44.970 45.100 0.020 0.000 0.847 109 G HN 0.041 8.350 8.290 0.031 0.000 0.594 110 P HA 0.093 4.519 4.420 0.011 0.000 0.268 110 P C -1.007 176.302 177.300 0.014 0.000 1.282 110 P CA -0.356 62.751 63.100 0.012 0.000 0.880 110 P CB 0.542 32.247 31.700 0.008 0.000 0.971 111 S N 3.833 119.542 115.700 0.015 0.000 2.611 111 S HA -0.177 4.303 4.470 0.018 0.000 0.317 111 S C 0.220 174.827 174.600 0.011 0.000 1.208 111 S CA 0.482 58.691 58.200 0.015 0.000 1.217 111 S CB 0.284 63.492 63.200 0.013 0.000 1.085 111 S HN 0.137 8.456 8.310 0.015 0.000 0.529 112 S N 4.906 120.613 115.700 0.012 0.000 2.579 112 S HA 0.059 4.533 4.470 0.008 0.000 0.275 112 S C 0.047 174.651 174.600 0.008 0.000 1.345 112 S CA 0.475 58.681 58.200 0.009 0.000 1.031 112 S CB 0.543 63.748 63.200 0.009 0.000 0.892 112 S HN 0.270 8.588 8.310 0.014 0.000 0.529 113 G N 0.000 108.804 108.800 0.006 0.000 5.446 113 G HA2 0.000 nan 3.960 nan 0.000 0.244 113 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 113 G CA 0.000 45.103 45.100 0.005 0.000 0.502 113 G HN 0.000 8.293 8.290 0.006 0.000 0.925