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 3otg_1_A DATA FIRST_RESID -2 DATA SEQUENCE GRHXRVLFAS LGTHGHTYPL LPLATAARAA GHEVTFATGE GFAGTLRKLG DATA SEQUENCE FEPVATGXPV FDGFLAALRI RFDTDSPEGL TPEQLSELPQ IVFGRVIPQR DATA SEQUENCE VFDELQPVIE RLRPDLVVQE ISNYGAGLAA LKAGIPTICH GVGRDTPDDL DATA SEQUENCE TRSIEEEVRG LAQRLGLDLP PGRIDGFGNP FIDIFPPSLQ EPEFRARPRR DATA SEQUENCE HELRPVPFAE QGDLPAWLSS RDTARPLVYL TLGTSSGGTV EVLRAAIDGL DATA SEQUENCE AGLDADVLVA SGPSLDVSGL GEVPANVRLE SWVPQAALLP HVDLVVHHGG DATA SEQUENCE SGTTLGALGA GVPQLSFPWA GDSFANAQAV AQAGAGDHLL PDNISPDSVS DATA SEQUENCE GAAKRLLAEE SYRAGARAVA AEIAAXPGPD EVVRLLPGFA S 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 -2 G C 0.000 174.945 174.900 0.075 0.000 0.946 -2 G CA 0.000 45.117 45.100 0.029 0.000 0.502 -1 R N 0.920 121.459 120.500 0.065 0.000 2.536 -1 R HA 0.554 4.894 4.340 -0.001 0.000 0.279 -1 R C 0.667 177.040 176.300 0.122 0.000 1.001 -1 R CA -0.628 55.484 56.100 0.020 0.000 1.027 -1 R CB 0.335 30.610 30.300 -0.041 0.000 1.096 -1 R HN 0.468 nan 8.270 nan 0.000 0.502 3 V N 3.921 123.840 119.914 0.008 0.000 2.448 3 V HA 0.426 4.545 4.120 -0.001 0.000 0.295 3 V C -0.630 175.460 176.094 -0.007 0.000 1.025 3 V CA -0.850 61.425 62.300 -0.042 0.000 0.859 3 V CB 1.801 33.613 31.823 -0.019 0.000 0.988 3 V HN 0.512 nan 8.190 nan 0.000 0.431 4 L N 6.085 127.243 121.223 -0.108 0.000 2.264 4 L HA 0.642 4.982 4.340 -0.001 0.000 0.287 4 L C -0.833 175.887 176.870 -0.250 0.000 1.039 4 L CA 0.238 55.015 54.840 -0.104 0.000 0.829 4 L CB 0.354 42.349 42.059 -0.106 0.000 1.211 4 L HN 0.406 nan 8.230 nan 0.000 0.427 5 F N 4.103 123.781 119.950 -0.453 0.000 2.375 5 F HA 0.710 5.237 4.527 -0.001 0.000 0.333 5 F C 0.678 176.015 175.800 -0.772 0.000 1.104 5 F CA 0.021 57.579 58.000 -0.736 0.000 1.149 5 F CB 1.543 39.759 39.000 -1.306 0.000 1.190 5 F HN 0.635 nan 8.300 nan 0.000 0.533 6 A N 1.924 124.473 122.820 -0.452 0.000 2.429 6 A HA 0.661 4.981 4.320 -0.001 0.000 0.289 6 A C -0.856 176.634 177.584 -0.157 0.000 1.043 6 A CA -0.475 51.405 52.037 -0.263 0.000 0.722 6 A CB 1.033 19.941 19.000 -0.154 0.000 1.243 6 A HN 0.761 nan 8.150 nan 0.000 0.415 7 S N 2.277 117.961 115.700 -0.026 0.000 2.632 7 S HA 0.828 5.298 4.470 -0.001 0.000 0.289 7 S C -0.366 174.262 174.600 0.046 0.000 1.115 7 S CA -0.854 57.368 58.200 0.037 0.000 0.889 7 S CB 0.829 64.106 63.200 0.130 0.000 1.116 7 S HN 0.719 nan 8.310 nan 0.000 0.486 8 L N 1.155 122.385 121.223 0.010 0.000 2.461 8 L HA 0.334 4.674 4.340 -0.001 0.000 0.272 8 L C 1.405 178.319 176.870 0.074 0.000 1.197 8 L CA -0.119 54.716 54.840 -0.008 0.000 0.836 8 L CB 0.173 42.091 42.059 -0.235 0.000 1.105 8 L HN 1.085 nan 8.230 nan 0.000 0.477 9 G N 0.843 109.719 108.800 0.127 0.000 3.471 9 G HA2 0.191 4.150 3.960 -0.001 0.000 0.254 9 G HA3 0.191 4.150 3.960 -0.001 0.000 0.254 9 G C 0.364 175.472 174.900 0.347 0.000 1.199 9 G CA -0.016 45.225 45.100 0.234 0.000 1.683 9 G HN 0.672 nan 8.290 nan 0.000 0.625 10 T N -4.254 110.473 114.554 0.289 0.000 2.930 10 T HA 0.355 4.705 4.350 -0.001 0.000 0.290 10 T C 1.017 175.852 174.700 0.225 0.000 1.052 10 T CA -0.738 61.570 62.100 0.346 0.000 1.017 10 T CB 1.586 70.688 68.868 0.391 0.000 1.137 10 T HN 0.229 nan 8.240 nan 0.000 0.511 11 H N 1.050 120.283 119.070 0.272 0.000 2.319 11 H HA -0.039 4.517 4.556 -0.001 0.000 0.299 11 H C 2.418 177.648 175.328 -0.163 0.000 1.092 11 H CA 1.993 57.959 56.048 -0.137 0.000 1.302 11 H CB -0.661 28.998 29.762 -0.172 0.000 1.373 11 H HN 0.878 nan 8.280 nan 0.000 0.497 12 G N 0.370 109.256 108.800 0.144 0.000 2.450 12 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.220 12 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.220 12 G C 1.381 176.252 174.900 -0.048 0.000 1.130 12 G CA 0.607 45.741 45.100 0.056 0.000 0.760 12 G HN 0.499 nan 8.290 nan 0.000 0.557 13 H N -0.592 118.516 119.070 0.064 0.000 2.547 13 H HA 0.095 4.651 4.556 -0.001 0.000 0.272 13 H C 2.352 177.674 175.328 -0.010 0.000 0.971 13 H CA 1.305 57.375 56.048 0.038 0.000 1.245 13 H CB 0.490 30.283 29.762 0.052 0.000 1.440 13 H HN 0.288 nan 8.280 nan 0.000 0.540 14 T N 0.269 114.818 114.554 -0.008 0.000 2.953 14 T HA -0.052 4.297 4.350 -0.001 0.000 0.247 14 T C 1.712 176.405 174.700 -0.011 0.000 1.029 14 T CA 0.192 62.214 62.100 -0.130 0.000 1.144 14 T CB -0.230 68.211 68.868 -0.712 0.000 0.870 14 T HN 0.175 nan 8.240 nan 0.000 0.446 15 Y N 1.622 121.824 120.300 -0.164 0.000 2.139 15 Y HA -0.058 4.492 4.550 -0.001 0.000 0.282 15 Y C -0.562 175.286 175.900 -0.086 0.000 1.179 15 Y CA 0.384 58.399 58.100 -0.141 0.000 1.161 15 Y CB -2.145 36.391 38.460 0.127 0.000 0.970 15 Y HN 0.290 nan 8.280 nan 0.000 0.511 16 P HA -0.117 nan 4.420 nan 0.000 0.222 16 P C 1.403 178.696 177.300 -0.011 0.000 1.147 16 P CA 1.230 64.399 63.100 0.114 0.000 0.790 16 P CB -0.036 31.741 31.700 0.127 0.000 0.780 17 L N -2.085 119.068 121.223 -0.117 0.000 2.509 17 L HA 0.060 4.400 4.340 -0.001 0.000 0.222 17 L C 2.115 178.974 176.870 -0.019 0.000 1.123 17 L CA 0.853 55.570 54.840 -0.205 0.000 0.856 17 L CB -0.997 41.035 42.059 -0.046 0.000 0.985 17 L HN -0.081 nan 8.230 nan 0.000 0.456 18 L N -0.109 121.056 121.223 -0.098 0.000 2.046 18 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 18 L C -0.217 176.652 176.870 -0.001 0.000 1.077 18 L CA 1.292 56.023 54.840 -0.182 0.000 0.747 18 L CB -1.674 39.960 42.059 -0.708 0.000 0.896 18 L HN 0.253 nan 8.230 nan 0.000 0.432 19 P HA -0.186 nan 4.420 nan 0.000 0.215 19 P C 1.809 179.203 177.300 0.156 0.000 1.157 19 P CA 1.078 64.267 63.100 0.149 0.000 0.863 19 P CB 0.066 31.867 31.700 0.169 0.000 0.787 20 L N -0.424 120.921 121.223 0.203 0.000 2.083 20 L HA -0.109 4.230 4.340 -0.001 0.000 0.209 20 L C 2.220 179.190 176.870 0.167 0.000 1.083 20 L CA 1.942 56.943 54.840 0.267 0.000 0.752 20 L CB -1.458 40.879 42.059 0.463 0.000 0.899 20 L HN -0.124 nan 8.230 nan 0.000 0.433 21 A N -1.916 120.791 122.820 -0.188 0.000 1.898 21 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 21 A C 2.285 179.794 177.584 -0.125 0.000 1.181 21 A CA 2.146 53.742 52.037 -0.734 0.000 0.620 21 A CB -1.121 16.991 19.000 -1.480 0.000 0.819 21 A HN 0.461 nan 8.150 nan 0.000 0.442 22 T N 0.243 114.921 114.554 0.207 0.000 2.746 22 T HA -0.043 4.307 4.350 -0.001 0.000 0.267 22 T C 2.170 176.986 174.700 0.193 0.000 1.039 22 T CA 1.590 63.880 62.100 0.317 0.000 1.142 22 T CB -0.386 68.627 68.868 0.243 0.000 0.866 22 T HN 0.587 nan 8.240 nan 0.000 0.444 23 A N 1.153 124.067 122.820 0.156 0.000 1.969 23 A HA 0.226 4.545 4.320 -0.001 0.000 0.218 23 A C 2.600 180.273 177.584 0.148 0.000 1.169 23 A CA 1.686 53.805 52.037 0.136 0.000 0.635 23 A CB -0.936 18.146 19.000 0.136 0.000 0.810 23 A HN 0.499 nan 8.150 nan 0.000 0.445 24 A N 0.036 122.972 122.820 0.194 0.000 1.877 24 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 24 A C 2.252 179.960 177.584 0.207 0.000 1.186 24 A CA 1.753 53.959 52.037 0.282 0.000 0.620 24 A CB -0.515 18.692 19.000 0.344 0.000 0.822 24 A HN 0.569 nan 8.150 nan 0.000 0.443 25 R N -0.272 120.341 120.500 0.188 0.000 2.081 25 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 25 R C 2.162 178.521 176.300 0.098 0.000 1.131 25 R CA 1.491 57.702 56.100 0.185 0.000 0.960 25 R CB -0.416 30.069 30.300 0.308 0.000 0.856 25 R HN 0.408 nan 8.270 nan 0.000 0.436 26 A N 0.451 123.324 122.820 0.088 0.000 2.015 26 A HA 0.006 4.325 4.320 -0.001 0.000 0.219 26 A C 2.135 179.706 177.584 -0.022 0.000 1.163 26 A CA 1.374 53.436 52.037 0.041 0.000 0.646 26 A CB -0.432 18.600 19.000 0.052 0.000 0.806 26 A HN 0.521 nan 8.150 nan 0.000 0.448 27 A N -1.963 120.815 122.820 -0.071 0.000 2.238 27 A HA 0.419 4.739 4.320 -0.001 0.000 0.208 27 A C 1.676 179.016 177.584 -0.408 0.000 1.177 27 A CA 1.215 53.128 52.037 -0.206 0.000 0.804 27 A CB -0.682 18.200 19.000 -0.197 0.000 0.823 27 A HN 1.778 nan 8.150 nan 0.000 0.482 28 G N -1.537 107.092 108.800 -0.284 0.000 2.168 28 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.197 28 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.197 28 G C -0.014 174.821 174.900 -0.108 0.000 0.997 28 G CA 0.060 45.030 45.100 -0.216 0.000 0.658 28 G HN 0.614 nan 8.290 nan 0.000 0.513 29 H N 0.836 119.959 119.070 0.089 0.000 2.505 29 H HA 0.476 5.032 4.556 -0.001 0.000 0.351 29 H C 0.193 175.604 175.328 0.139 0.000 1.151 29 H CA -0.184 55.932 56.048 0.113 0.000 1.339 29 H CB 0.820 30.634 29.762 0.087 0.000 1.483 29 H HN 0.430 nan 8.280 nan 0.000 0.558 30 E N 1.415 121.775 120.200 0.268 0.000 2.089 30 E HA 0.272 4.622 4.350 -0.001 0.000 0.284 30 E C -0.620 176.074 176.600 0.157 0.000 1.023 30 E CA -0.466 56.047 56.400 0.188 0.000 0.819 30 E CB 1.169 30.956 29.700 0.145 0.000 1.076 30 E HN 0.159 nan 8.360 nan 0.000 0.396 31 V N 3.855 123.856 119.914 0.145 0.000 2.370 31 V HA 0.213 4.333 4.120 -0.001 0.000 0.279 31 V C 0.120 176.263 176.094 0.082 0.000 1.029 31 V CA -0.433 61.895 62.300 0.048 0.000 0.870 31 V CB 1.626 33.281 31.823 -0.280 0.000 0.984 31 V HN 0.661 nan 8.190 nan 0.000 0.451 32 T N 5.828 120.431 114.554 0.081 0.000 2.797 32 T HA 0.569 4.918 4.350 -0.001 0.000 0.279 32 T C -0.922 173.847 174.700 0.115 0.000 0.991 32 T CA -0.165 62.001 62.100 0.109 0.000 0.979 32 T CB 0.966 69.878 68.868 0.073 0.000 0.943 32 T HN 0.393 nan 8.240 nan 0.000 0.444 33 F N 2.899 122.868 119.950 0.032 0.000 2.496 33 F HA 0.637 5.164 4.527 -0.001 0.000 0.341 33 F C -0.231 175.595 175.800 0.044 0.000 1.134 33 F CA -1.247 56.764 58.000 0.018 0.000 0.968 33 F CB 0.841 39.819 39.000 -0.036 0.000 1.205 33 F HN 0.656 nan 8.300 nan 0.000 0.436 34 A N 4.332 127.258 122.820 0.177 0.000 2.274 34 A HA 0.736 5.055 4.320 -0.001 0.000 0.309 34 A C -0.025 177.708 177.584 0.248 0.000 1.226 34 A CA 0.162 52.303 52.037 0.173 0.000 0.853 34 A CB 0.980 20.006 19.000 0.043 0.000 1.146 34 A HN 0.832 nan 8.150 nan 0.000 0.518 35 T N 0.904 115.604 114.554 0.243 0.000 2.676 35 T HA 0.531 4.881 4.350 -0.001 0.000 0.299 35 T C 0.424 175.253 174.700 0.215 0.000 1.657 35 T CA 0.164 62.386 62.100 0.204 0.000 0.985 35 T CB -0.098 68.867 68.868 0.162 0.000 1.926 35 T HN 1.626 nan 8.240 nan 0.000 0.456 36 G N 0.988 109.962 108.800 0.291 0.000 2.484 36 G HA2 0.279 4.239 3.960 -0.001 0.000 0.235 36 G HA3 0.279 4.239 3.960 -0.001 0.000 0.235 36 G C 0.700 175.747 174.900 0.245 0.000 1.282 36 G CA 0.754 46.025 45.100 0.285 0.000 0.857 36 G HN 0.841 nan 8.290 nan 0.000 0.571 37 E N 1.337 121.610 120.200 0.120 0.000 2.118 37 E HA -0.100 4.250 4.350 -0.001 0.000 0.195 37 E C 2.422 179.032 176.600 0.017 0.000 0.992 37 E CA 1.945 58.388 56.400 0.072 0.000 0.804 37 E CB -0.681 29.042 29.700 0.038 0.000 0.741 37 E HN 0.493 nan 8.360 nan 0.000 0.458 38 G N -1.150 107.600 108.800 -0.083 0.000 2.535 38 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 38 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 38 G C 0.922 175.608 174.900 -0.355 0.000 1.122 38 G CA 0.658 45.603 45.100 -0.258 0.000 0.769 38 G HN 0.337 nan 8.290 nan 0.000 0.549 39 F N 0.675 120.594 119.950 -0.052 0.000 2.765 39 F HA 0.378 4.905 4.527 -0.001 0.000 0.302 39 F C 2.570 178.351 175.800 -0.033 0.000 1.111 39 F CA 0.003 57.971 58.000 -0.055 0.000 1.359 39 F CB 0.276 39.222 39.000 -0.090 0.000 1.097 39 F HN 0.174 nan 8.300 nan 0.000 0.577 40 A N 0.780 123.668 122.820 0.113 0.000 1.892 40 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 40 A C 2.593 180.210 177.584 0.055 0.000 1.188 40 A CA 2.121 54.209 52.037 0.084 0.000 0.631 40 A CB -1.459 17.575 19.000 0.057 0.000 0.822 40 A HN 0.415 nan 8.150 nan 0.000 0.447 41 G N -1.424 107.394 108.800 0.031 0.000 2.421 41 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.216 41 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.216 41 G C 1.593 176.509 174.900 0.027 0.000 1.171 41 G CA 1.667 46.778 45.100 0.018 0.000 0.775 41 G HN 0.436 nan 8.290 nan 0.000 0.543 42 T N 1.377 115.972 114.554 0.068 0.000 2.746 42 T HA -0.046 4.303 4.350 -0.001 0.000 0.267 42 T C 2.444 177.142 174.700 -0.003 0.000 1.039 42 T CA 1.027 63.185 62.100 0.097 0.000 1.142 42 T CB -0.203 68.810 68.868 0.242 0.000 0.866 42 T HN 0.153 nan 8.240 nan 0.000 0.444 43 L N 0.267 121.486 121.223 -0.007 0.000 2.056 43 L HA -0.049 4.290 4.340 -0.001 0.000 0.207 43 L C 2.899 179.700 176.870 -0.114 0.000 1.078 43 L CA 1.334 56.136 54.840 -0.063 0.000 0.749 43 L CB -0.487 41.608 42.059 0.059 0.000 0.901 43 L HN 0.141 nan 8.230 nan 0.000 0.433 44 R N 0.354 120.835 120.500 -0.032 0.000 2.081 44 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 44 R C 2.278 178.522 176.300 -0.094 0.000 1.131 44 R CA 1.247 57.327 56.100 -0.033 0.000 0.960 44 R CB -0.280 30.021 30.300 0.002 0.000 0.856 44 R HN 0.343 nan 8.270 nan 0.000 0.436 45 K N 0.621 120.964 120.400 -0.095 0.000 2.152 45 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 45 K C 1.781 178.268 176.600 -0.188 0.000 1.048 45 K CA 1.012 57.239 56.287 -0.101 0.000 0.933 45 K CB -0.050 32.417 32.500 -0.056 0.000 0.721 45 K HN 0.194 nan 8.250 nan 0.000 0.447 46 L N -0.332 120.670 121.223 -0.369 0.000 2.591 46 L HA 0.089 4.429 4.340 -0.001 0.000 0.228 46 L C 0.991 177.439 176.870 -0.703 0.000 1.133 46 L CA 0.270 54.718 54.840 -0.653 0.000 0.880 46 L CB 0.027 41.376 42.059 -1.182 0.000 1.033 46 L HN 0.407 nan 8.230 nan 0.000 0.450 47 G N -0.448 108.127 108.800 -0.376 0.000 2.137 47 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.237 47 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.237 47 G C -0.036 174.932 174.900 0.113 0.000 1.002 47 G CA -0.387 44.648 45.100 -0.108 0.000 0.702 47 G HN 0.106 nan 8.290 nan 0.000 0.515 48 F N 0.186 120.154 119.950 0.030 0.000 2.399 48 F HA 0.702 5.229 4.527 -0.001 0.000 0.328 48 F C 0.606 176.444 175.800 0.064 0.000 1.084 48 F CA -2.561 55.471 58.000 0.053 0.000 1.053 48 F CB 1.306 40.338 39.000 0.052 0.000 1.209 48 F HN 0.066 nan 8.300 nan 0.000 0.502 49 E N 4.556 124.927 120.200 0.285 0.000 2.089 49 E HA 0.293 4.643 4.350 -0.001 0.000 0.284 49 E C -2.691 174.029 176.600 0.200 0.000 1.023 49 E CA -2.414 54.097 56.400 0.186 0.000 0.819 49 E CB 0.672 30.453 29.700 0.135 0.000 1.076 49 E HN 0.106 nan 8.360 nan 0.000 0.396 50 P HA 0.127 nan 4.420 nan 0.000 0.279 50 P C -0.906 176.479 177.300 0.141 0.000 1.239 50 P CA -0.413 62.794 63.100 0.179 0.000 0.789 50 P CB 1.290 33.074 31.700 0.140 0.000 0.933 51 V N 2.144 122.150 119.914 0.153 0.000 2.709 51 V HA 0.564 4.683 4.120 -0.001 0.000 0.308 51 V C -0.012 176.152 176.094 0.117 0.000 1.062 51 V CA -0.917 61.449 62.300 0.109 0.000 0.901 51 V CB 1.977 33.852 31.823 0.087 0.000 1.003 51 V HN 0.707 nan 8.190 nan 0.000 0.425 52 A N 3.519 126.393 122.820 0.090 0.000 2.260 52 A HA 0.805 5.125 4.320 -0.001 0.000 0.308 52 A C 0.267 177.897 177.584 0.077 0.000 1.254 52 A CA -0.116 51.977 52.037 0.092 0.000 0.874 52 A CB 0.425 19.469 19.000 0.074 0.000 1.153 52 A HN 0.982 nan 8.150 nan 0.000 0.527 53 T N -0.379 114.228 114.554 0.089 0.000 2.907 53 T HA 0.905 5.254 4.350 -0.001 0.000 0.290 53 T C 0.296 175.041 174.700 0.075 0.000 1.066 53 T CA -0.139 62.003 62.100 0.069 0.000 1.012 53 T CB 1.418 70.322 68.868 0.060 0.000 1.184 53 T HN 2.527 nan 8.240 nan 0.000 0.522 57 V N 0.040 120.060 119.914 0.178 0.000 2.282 57 V HA -0.265 3.855 4.120 -0.001 0.000 0.249 57 V C 1.942 178.201 176.094 0.274 0.000 1.057 57 V CA 2.370 64.804 62.300 0.223 0.000 1.032 57 V CB -0.856 31.107 31.823 0.233 0.000 0.645 57 V HN 0.745 nan 8.190 nan 0.000 0.447 58 F N 1.868 121.892 119.950 0.125 0.000 2.095 58 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 58 F C 2.061 177.936 175.800 0.124 0.000 1.104 58 F CA 2.316 60.387 58.000 0.118 0.000 1.232 58 F CB -0.475 38.566 39.000 0.069 0.000 0.987 58 F HN 0.243 nan 8.300 nan 0.000 0.475 59 D N 0.071 120.549 120.400 0.130 0.000 2.182 59 D HA -0.096 4.544 4.640 -0.001 0.000 0.201 59 D C 2.464 178.710 176.300 -0.089 0.000 0.986 59 D CA 1.382 55.380 54.000 -0.004 0.000 0.847 59 D CB -0.933 39.923 40.800 0.094 0.000 0.942 59 D HN 0.462 nan 8.370 nan 0.000 0.467 60 G N -0.399 108.371 108.800 -0.050 0.000 2.404 60 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 60 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 60 G C 1.348 176.110 174.900 -0.229 0.000 1.174 60 G CA 0.141 45.150 45.100 -0.151 0.000 0.780 60 G HN 0.219 nan 8.290 nan 0.000 0.537 61 F N -0.003 119.835 119.950 -0.187 0.000 2.259 61 F HA 0.105 4.632 4.527 -0.001 0.000 0.298 61 F C 2.365 178.038 175.800 -0.213 0.000 1.088 61 F CA 0.541 58.443 58.000 -0.163 0.000 1.358 61 F CB -0.126 38.808 39.000 -0.110 0.000 1.040 61 F HN 0.124 nan 8.300 nan 0.000 0.505 62 L N 0.488 121.576 121.223 -0.224 0.000 2.046 62 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 62 L C 2.348 179.141 176.870 -0.128 0.000 1.077 62 L CA 1.996 56.678 54.840 -0.264 0.000 0.747 62 L CB -1.141 40.633 42.059 -0.475 0.000 0.896 62 L HN 0.035 nan 8.230 nan 0.000 0.432 63 A N -0.460 122.282 122.820 -0.130 0.000 1.898 63 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 63 A C 2.451 179.977 177.584 -0.096 0.000 1.181 63 A CA 1.703 53.682 52.037 -0.097 0.000 0.620 63 A CB -1.137 17.802 19.000 -0.101 0.000 0.819 63 A HN 0.586 nan 8.150 nan 0.000 0.442 64 A N -0.640 122.101 122.820 -0.131 0.000 1.898 64 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 64 A C 2.076 179.641 177.584 -0.032 0.000 1.181 64 A CA 1.663 53.624 52.037 -0.127 0.000 0.620 64 A CB -0.609 18.254 19.000 -0.227 0.000 0.819 64 A HN 0.481 nan 8.150 nan 0.000 0.442 65 L N -0.077 121.170 121.223 0.039 0.000 2.012 65 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 65 L C 2.568 179.503 176.870 0.108 0.000 1.073 65 L CA 2.041 56.969 54.840 0.147 0.000 0.748 65 L CB -0.633 41.493 42.059 0.111 0.000 0.891 65 L HN 0.372 nan 8.230 nan 0.000 0.431 66 R N -1.012 119.506 120.500 0.031 0.000 2.075 66 R HA -0.094 4.246 4.340 -0.001 0.000 0.232 66 R C 2.297 178.589 176.300 -0.014 0.000 1.126 66 R CA 1.652 57.763 56.100 0.017 0.000 0.963 66 R CB -0.414 29.883 30.300 -0.004 0.000 0.858 66 R HN 0.340 nan 8.270 nan 0.000 0.435 67 I N 0.174 120.714 120.570 -0.050 0.000 2.179 67 I HA -0.268 3.902 4.170 -0.001 0.000 0.242 67 I C 2.599 178.633 176.117 -0.138 0.000 1.088 67 I CA 1.203 62.452 61.300 -0.085 0.000 1.357 67 I CB -0.056 37.883 38.000 -0.100 0.000 1.051 67 I HN 0.050 nan 8.210 nan 0.000 0.409 68 R N 0.547 120.923 120.500 -0.207 0.000 2.090 68 R HA 0.004 4.344 4.340 -0.001 0.000 0.219 68 R C 1.324 177.265 176.300 -0.598 0.000 1.100 68 R CA 1.662 57.477 56.100 -0.476 0.000 0.991 68 R CB -0.195 29.694 30.300 -0.685 0.000 0.893 68 R HN 0.209 nan 8.270 nan 0.000 0.443 69 F N 0.686 120.631 119.950 -0.009 0.000 2.706 69 F HA 0.339 4.865 4.527 -0.001 0.000 0.313 69 F C -0.252 175.547 175.800 -0.002 0.000 1.096 69 F CA -0.534 57.465 58.000 -0.002 0.000 1.219 69 F CB 0.520 39.524 39.000 0.006 0.000 1.051 69 F HN -0.041 nan 8.300 nan 0.000 0.568 70 D N 1.788 122.255 120.400 0.112 0.000 2.689 70 D HA -0.198 4.441 4.640 -0.001 0.000 0.237 70 D C 0.299 176.649 176.300 0.084 0.000 1.148 70 D CA 1.355 55.398 54.000 0.071 0.000 0.656 70 D CB -0.935 39.895 40.800 0.049 0.000 1.050 70 D HN 0.348 nan 8.370 nan 0.000 0.426 71 T N -1.362 113.251 114.554 0.098 0.000 2.868 71 T HA 0.285 4.634 4.350 -0.001 0.000 0.306 71 T C -0.166 174.572 174.700 0.063 0.000 1.224 71 T CA -0.620 61.524 62.100 0.075 0.000 1.012 71 T CB 1.887 70.800 68.868 0.074 0.000 1.221 71 T HN -0.244 nan 8.240 nan 0.000 0.499 72 D N 1.041 121.471 120.400 0.050 0.000 2.360 72 D HA 0.246 4.886 4.640 -0.001 0.000 0.210 72 D C 0.228 176.559 176.300 0.052 0.000 1.047 72 D CA 0.446 54.474 54.000 0.047 0.000 0.854 72 D CB 0.667 41.500 40.800 0.055 0.000 0.936 72 D HN 0.322 nan 8.370 nan 0.000 0.514 73 S N -0.105 115.624 115.700 0.048 0.000 2.526 73 S HA 0.417 4.887 4.470 -0.001 0.000 0.293 73 S C -2.158 172.454 174.600 0.021 0.000 1.092 73 S CA -1.586 56.640 58.200 0.044 0.000 0.980 73 S CB 1.966 65.189 63.200 0.039 0.000 1.048 73 S HN -0.288 nan 8.310 nan 0.000 0.483 74 P HA 0.090 nan 4.420 nan 0.000 0.229 74 P C -0.378 176.897 177.300 -0.041 0.000 1.160 74 P CA 0.350 63.441 63.100 -0.015 0.000 0.777 74 P CB 0.030 31.737 31.700 0.011 0.000 0.814 75 E N 0.047 120.236 120.200 -0.018 0.000 2.452 75 E HA 0.225 4.574 4.350 -0.001 0.000 0.261 75 E C 1.191 177.766 176.600 -0.042 0.000 0.987 75 E CA 0.808 57.196 56.400 -0.021 0.000 0.926 75 E CB -0.311 29.387 29.700 -0.004 0.000 0.934 75 E HN 0.183 nan 8.360 nan 0.000 0.452 76 G N 2.832 111.605 108.800 -0.045 0.000 2.195 76 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.246 76 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.246 76 G C 0.161 175.007 174.900 -0.090 0.000 0.984 76 G CA -0.237 44.831 45.100 -0.053 0.000 0.633 76 G HN 0.410 nan 8.290 nan 0.000 0.525 77 L N 2.402 123.547 121.223 -0.129 0.000 2.292 77 L HA 0.503 4.842 4.340 -0.001 0.000 0.284 77 L C 1.454 178.244 176.870 -0.133 0.000 1.065 77 L CA -0.222 54.492 54.840 -0.210 0.000 0.806 77 L CB 1.325 43.169 42.059 -0.358 0.000 1.175 77 L HN 0.376 nan 8.230 nan 0.000 0.431 78 T N -0.247 114.237 114.554 -0.115 0.000 2.926 78 T HA 0.115 4.464 4.350 -0.001 0.000 0.307 78 T C -1.813 172.865 174.700 -0.038 0.000 1.059 78 T CA -1.363 60.705 62.100 -0.054 0.000 1.122 78 T CB 0.899 69.749 68.868 -0.031 0.000 0.972 78 T HN 0.366 nan 8.240 nan 0.000 0.545 79 P HA -0.129 nan 4.420 nan 0.000 0.218 79 P C 1.385 178.704 177.300 0.031 0.000 1.146 79 P CA 1.102 64.216 63.100 0.022 0.000 0.813 79 P CB 0.088 31.810 31.700 0.037 0.000 0.778 80 E N -0.216 119.999 120.200 0.024 0.000 2.072 80 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 80 E C 1.934 178.578 176.600 0.073 0.000 0.985 80 E CA 0.962 57.386 56.400 0.040 0.000 0.801 80 E CB -0.202 29.518 29.700 0.033 0.000 0.750 80 E HN 0.284 nan 8.360 nan 0.000 0.452 81 Q N 0.220 120.051 119.800 0.050 0.000 2.084 81 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 81 Q C 2.441 178.540 176.000 0.166 0.000 0.978 81 Q CA 1.285 57.154 55.803 0.110 0.000 0.844 81 Q CB -0.047 28.566 28.738 -0.208 0.000 0.898 81 Q HN 0.355 nan 8.270 nan 0.000 0.426 82 L N 0.708 121.962 121.223 0.051 0.000 2.191 82 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 82 L C 2.477 179.456 176.870 0.182 0.000 1.103 82 L CA 1.167 56.077 54.840 0.117 0.000 0.769 82 L CB -0.491 41.605 42.059 0.062 0.000 0.908 82 L HN 0.265 nan 8.230 nan 0.000 0.438 83 S N -1.151 114.630 115.700 0.136 0.000 2.555 83 S HA -0.110 4.359 4.470 -0.001 0.000 0.230 83 S C 1.468 176.147 174.600 0.132 0.000 0.978 83 S CA 0.493 58.765 58.200 0.119 0.000 0.934 83 S CB -0.262 62.974 63.200 0.060 0.000 0.766 83 S HN 0.490 nan 8.310 nan 0.000 0.533 84 E N 0.697 121.000 120.200 0.173 0.000 2.482 84 E HA 0.154 4.503 4.350 -0.001 0.000 0.196 84 E C 1.467 178.133 176.600 0.111 0.000 1.047 84 E CA 0.234 56.716 56.400 0.136 0.000 0.869 84 E CB -0.148 29.646 29.700 0.158 0.000 0.836 84 E HN 0.585 nan 8.360 nan 0.000 0.520 85 L N 0.378 121.708 121.223 0.177 0.000 2.127 85 L HA -0.004 4.336 4.340 -0.001 0.000 0.203 85 L C -0.701 176.160 176.870 -0.015 0.000 1.080 85 L CA 0.608 55.514 54.840 0.112 0.000 0.768 85 L CB -1.314 40.901 42.059 0.261 0.000 0.924 85 L HN 0.016 nan 8.230 nan 0.000 0.444 86 P HA -0.241 nan 4.420 nan 0.000 0.216 86 P C 1.521 178.924 177.300 0.172 0.000 1.153 86 P CA 1.419 64.632 63.100 0.189 0.000 0.858 86 P CB -0.130 31.768 31.700 0.331 0.000 0.789 87 Q N -0.582 119.274 119.800 0.093 0.000 2.170 87 Q HA -0.131 4.209 4.340 -0.001 0.000 0.203 87 Q C 1.976 177.974 176.000 -0.004 0.000 0.976 87 Q CA 1.451 57.288 55.803 0.057 0.000 0.858 87 Q CB -1.056 27.688 28.738 0.009 0.000 0.907 87 Q HN 0.272 nan 8.270 nan 0.000 0.433 88 I N 0.829 121.358 120.570 -0.069 0.000 2.333 88 I HA -0.176 3.994 4.170 -0.001 0.000 0.246 88 I C 2.323 178.324 176.117 -0.194 0.000 1.106 88 I CA 0.469 61.694 61.300 -0.125 0.000 1.411 88 I CB -0.110 37.803 38.000 -0.144 0.000 1.082 88 I HN 0.016 nan 8.210 nan 0.000 0.420 89 V N 0.766 120.482 119.914 -0.329 0.000 2.295 89 V HA -0.282 3.838 4.120 -0.001 0.000 0.246 89 V C 2.146 177.961 176.094 -0.464 0.000 1.049 89 V CA 2.158 64.123 62.300 -0.560 0.000 1.024 89 V CB -0.605 30.575 31.823 -1.071 0.000 0.648 89 V HN 0.263 nan 8.190 nan 0.000 0.447 90 F N 0.469 120.359 119.950 -0.099 0.000 2.473 90 F HA 0.229 4.755 4.527 -0.001 0.000 0.294 90 F C 2.199 178.022 175.800 0.039 0.000 1.103 90 F CA 1.012 59.014 58.000 0.004 0.000 1.442 90 F CB -0.558 38.475 39.000 0.056 0.000 1.097 90 F HN 0.193 nan 8.300 nan 0.000 0.547 91 G N -0.956 107.903 108.800 0.099 0.000 2.796 91 G HA2 0.050 4.010 3.960 -0.001 0.000 0.210 91 G HA3 0.050 4.010 3.960 -0.001 0.000 0.210 91 G C 1.561 176.431 174.900 -0.051 0.000 1.146 91 G CA 0.117 45.198 45.100 -0.031 0.000 0.779 91 G HN 0.246 nan 8.290 nan 0.000 0.535 92 R N -1.020 119.447 120.500 -0.055 0.000 2.342 92 R HA 0.223 4.562 4.340 -0.001 0.000 0.179 92 R C 2.131 178.391 176.300 -0.068 0.000 0.989 92 R CA 0.432 56.490 56.100 -0.070 0.000 1.125 92 R CB -0.142 30.102 30.300 -0.092 0.000 1.211 92 R HN 0.014 nan 8.270 nan 0.000 0.568 93 V N 1.676 121.526 119.914 -0.107 0.000 2.307 93 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 93 V C 2.356 178.404 176.094 -0.077 0.000 1.045 93 V CA 1.792 64.027 62.300 -0.109 0.000 1.024 93 V CB -0.308 31.413 31.823 -0.170 0.000 0.651 93 V HN 0.316 nan 8.190 nan 0.000 0.449 94 I N 0.009 120.520 120.570 -0.097 0.000 2.202 94 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 94 I C -0.241 175.897 176.117 0.035 0.000 1.091 94 I CA 1.474 62.747 61.300 -0.045 0.000 1.368 94 I CB -1.370 36.582 38.000 -0.080 0.000 1.058 94 I HN 0.354 nan 8.210 nan 0.000 0.410 95 P HA -0.203 nan 4.420 nan 0.000 0.217 95 P C 1.501 178.868 177.300 0.113 0.000 1.150 95 P CA 1.278 64.453 63.100 0.125 0.000 0.832 95 P CB 0.019 31.807 31.700 0.147 0.000 0.787 96 Q N 0.296 120.127 119.800 0.053 0.000 2.030 96 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 96 Q C 2.364 178.438 176.000 0.123 0.000 0.986 96 Q CA 1.940 57.780 55.803 0.062 0.000 0.843 96 Q CB -0.691 28.051 28.738 0.005 0.000 0.904 96 Q HN -0.122 nan 8.270 nan 0.000 0.420 97 R N -0.507 120.036 120.500 0.072 0.000 2.080 97 R HA -0.097 4.242 4.340 -0.001 0.000 0.236 97 R C 2.071 178.420 176.300 0.082 0.000 1.137 97 R CA 2.052 58.191 56.100 0.064 0.000 0.943 97 R CB -1.010 29.310 30.300 0.032 0.000 0.846 97 R HN 0.257 nan 8.270 nan 0.000 0.431 98 V N 0.796 120.764 119.914 0.090 0.000 2.343 98 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 98 V C 2.103 178.255 176.094 0.097 0.000 1.051 98 V CA 2.001 64.350 62.300 0.081 0.000 1.036 98 V CB -0.758 31.114 31.823 0.082 0.000 0.654 98 V HN 0.380 nan 8.190 nan 0.000 0.451 99 F N 1.466 121.415 119.950 -0.001 0.000 2.091 99 F HA -0.259 4.267 4.527 -0.001 0.000 0.299 99 F C 2.268 178.058 175.800 -0.017 0.000 1.103 99 F CA 2.289 60.280 58.000 -0.016 0.000 1.228 99 F CB -0.282 38.709 39.000 -0.015 0.000 0.984 99 F HN 0.216 nan 8.300 nan 0.000 0.477 100 D N 0.272 120.721 120.400 0.083 0.000 2.117 100 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 100 D C 2.140 178.387 176.300 -0.089 0.000 0.982 100 D CA 1.610 55.592 54.000 -0.031 0.000 0.828 100 D CB -0.439 40.407 40.800 0.078 0.000 0.967 100 D HN 0.509 nan 8.370 nan 0.000 0.464 101 E N 0.132 120.308 120.200 -0.039 0.000 2.153 101 E HA -0.068 4.281 4.350 -0.001 0.000 0.194 101 E C 2.116 178.673 176.600 -0.072 0.000 0.988 101 E CA 0.390 56.768 56.400 -0.037 0.000 0.811 101 E CB 0.030 29.729 29.700 -0.001 0.000 0.746 101 E HN 0.265 nan 8.360 nan 0.000 0.466 102 L N 0.738 121.893 121.223 -0.113 0.000 2.492 102 L HA -0.091 4.248 4.340 -0.001 0.000 0.223 102 L C 2.452 179.210 176.870 -0.186 0.000 1.132 102 L CA 0.140 54.902 54.840 -0.130 0.000 0.850 102 L CB -0.106 41.880 42.059 -0.123 0.000 0.966 102 L HN 0.132 nan 8.230 nan 0.000 0.454 103 Q N 1.657 121.300 119.800 -0.262 0.000 2.014 103 Q HA -0.182 4.157 4.340 -0.001 0.000 0.207 103 Q C -0.655 175.257 176.000 -0.147 0.000 0.993 103 Q CA 2.292 57.939 55.803 -0.261 0.000 0.850 103 Q CB -1.376 27.187 28.738 -0.291 0.000 0.916 103 Q HN 0.199 nan 8.270 nan 0.000 0.417 104 P HA -0.115 nan 4.420 nan 0.000 0.216 104 P C 1.401 178.667 177.300 -0.056 0.000 1.153 104 P CA 1.355 64.416 63.100 -0.066 0.000 0.848 104 P CB -0.104 31.568 31.700 -0.047 0.000 0.787 105 V N -0.270 119.609 119.914 -0.058 0.000 2.295 105 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 105 V C 2.398 178.462 176.094 -0.050 0.000 1.049 105 V CA 1.682 63.956 62.300 -0.042 0.000 1.024 105 V CB -1.070 30.731 31.823 -0.036 0.000 0.648 105 V HN 0.044 nan 8.190 nan 0.000 0.447 106 I N -0.102 120.424 120.570 -0.074 0.000 2.315 106 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 106 I C 2.610 178.690 176.117 -0.061 0.000 1.117 106 I CA 1.482 62.737 61.300 -0.075 0.000 1.404 106 I CB -0.283 37.656 38.000 -0.101 0.000 1.071 106 I HN 0.351 nan 8.210 nan 0.000 0.419 107 E N 1.904 122.066 120.200 -0.064 0.000 2.038 107 E HA -0.268 4.082 4.350 -0.001 0.000 0.195 107 E C 2.187 178.767 176.600 -0.034 0.000 1.000 107 E CA 1.925 58.295 56.400 -0.049 0.000 0.803 107 E CB -0.161 29.508 29.700 -0.051 0.000 0.750 107 E HN 0.499 nan 8.360 nan 0.000 0.448 108 R N -0.276 120.206 120.500 -0.029 0.000 2.119 108 R HA 0.003 4.342 4.340 -0.001 0.000 0.222 108 R C 2.255 178.547 176.300 -0.012 0.000 1.088 108 R CA 1.265 57.355 56.100 -0.017 0.000 0.984 108 R CB -0.520 29.772 30.300 -0.012 0.000 0.884 108 R HN 0.282 nan 8.270 nan 0.000 0.447 109 L N 0.985 122.198 121.223 -0.016 0.000 2.209 109 L HA 0.198 4.537 4.340 -0.001 0.000 0.207 109 L C 0.171 177.034 176.870 -0.012 0.000 1.094 109 L CA 0.975 55.810 54.840 -0.009 0.000 0.790 109 L CB -0.111 41.942 42.059 -0.009 0.000 0.932 109 L HN 0.190 nan 8.230 nan 0.000 0.447 110 R N -0.465 120.021 120.500 -0.022 0.000 3.264 110 R HA -0.132 4.208 4.340 -0.001 0.000 0.251 110 R C -2.196 174.090 176.300 -0.024 0.000 0.971 110 R CA 0.412 56.499 56.100 -0.023 0.000 0.658 110 R CB -2.135 28.156 30.300 -0.014 0.000 1.095 110 R HN 0.398 nan 8.270 nan 0.000 0.443 111 P HA -0.019 nan 4.420 nan 0.000 0.269 111 P C -0.084 177.188 177.300 -0.046 0.000 1.209 111 P CA 0.001 63.077 63.100 -0.040 0.000 0.776 111 P CB 0.642 32.306 31.700 -0.061 0.000 0.876 112 D N 0.523 120.895 120.400 -0.047 0.000 2.289 112 D HA 0.054 4.694 4.640 -0.001 0.000 0.207 112 D C 0.515 176.773 176.300 -0.070 0.000 0.966 112 D CA 1.196 55.165 54.000 -0.050 0.000 0.868 112 D CB 0.229 40.999 40.800 -0.049 0.000 0.943 112 D HN 0.188 nan 8.370 nan 0.000 0.514 113 L N 0.095 121.259 121.223 -0.099 0.000 2.505 113 L HA 0.318 4.658 4.340 -0.001 0.000 0.259 113 L C -1.641 175.121 176.870 -0.180 0.000 0.952 113 L CA -0.718 54.044 54.840 -0.129 0.000 0.840 113 L CB 2.501 44.478 42.059 -0.137 0.000 1.358 113 L HN -0.366 nan 8.230 nan 0.000 0.409 114 V N 4.525 124.319 119.914 -0.200 0.000 2.459 114 V HA 0.537 4.657 4.120 -0.001 0.000 0.295 114 V C -0.578 175.308 176.094 -0.347 0.000 1.029 114 V CA -0.698 61.448 62.300 -0.256 0.000 0.874 114 V CB 1.866 33.576 31.823 -0.188 0.000 0.985 114 V HN 0.494 nan 8.190 nan 0.000 0.438 115 V N 5.269 124.861 119.914 -0.538 0.000 2.318 115 V HA 0.334 4.454 4.120 -0.001 0.000 0.271 115 V C 0.148 175.997 176.094 -0.408 0.000 1.030 115 V CA -0.357 61.587 62.300 -0.593 0.000 0.844 115 V CB 1.182 32.313 31.823 -1.153 0.000 1.015 115 V HN 0.909 nan 8.190 nan 0.000 0.460 116 Q N 4.508 124.158 119.800 -0.252 0.000 2.331 116 Q HA 0.234 4.574 4.340 -0.001 0.000 0.257 116 Q C 0.056 175.980 176.000 -0.127 0.000 0.957 116 Q CA -0.414 55.293 55.803 -0.160 0.000 0.923 116 Q CB 1.196 29.889 28.738 -0.075 0.000 1.212 116 Q HN 0.799 nan 8.270 nan 0.000 0.443 117 E N 4.731 124.866 120.200 -0.109 0.000 2.452 117 E HA -0.106 4.243 4.350 -0.001 0.000 0.261 117 E C 0.864 177.412 176.600 -0.087 0.000 0.987 117 E CA 0.015 56.377 56.400 -0.063 0.000 0.926 117 E CB 0.604 30.295 29.700 -0.015 0.000 0.934 117 E HN 0.895 nan 8.360 nan 0.000 0.452 118 I N 3.769 124.296 120.570 -0.072 0.000 2.145 118 I HA -0.348 3.821 4.170 -0.001 0.000 0.244 118 I C 1.595 177.496 176.117 -0.361 0.000 1.075 118 I CA 1.735 62.972 61.300 -0.105 0.000 1.332 118 I CB 0.045 38.081 38.000 0.061 0.000 1.033 118 I HN 0.376 nan 8.210 nan 0.000 0.410 119 S N 0.673 116.214 115.700 -0.266 0.000 2.561 119 S HA -0.025 4.444 4.470 -0.001 0.000 0.225 119 S C 0.931 175.248 174.600 -0.470 0.000 0.977 119 S CA 0.178 58.116 58.200 -0.437 0.000 0.926 119 S CB -0.512 62.634 63.200 -0.090 0.000 0.769 119 S HN 0.457 nan 8.310 nan 0.000 0.533 120 N N 1.106 119.618 118.700 -0.313 0.000 3.331 120 N HA 0.154 4.894 4.740 -0.001 0.000 0.303 120 N C 0.195 175.683 175.510 -0.037 0.000 1.326 120 N CA -0.331 52.647 53.050 -0.121 0.000 1.207 120 N CB -0.473 37.978 38.487 -0.061 0.000 1.477 120 N HN 0.246 nan 8.380 nan 0.000 0.541 121 Y N -0.357 120.048 120.300 0.174 0.000 2.256 121 Y HA -0.084 4.466 4.550 -0.001 0.000 0.288 121 Y C 2.372 178.410 175.900 0.230 0.000 1.155 121 Y CA 1.472 59.752 58.100 0.300 0.000 1.203 121 Y CB -0.538 38.082 38.460 0.266 0.000 0.980 121 Y HN 0.390 nan 8.280 nan 0.000 0.530 122 G N -0.331 108.639 108.800 0.285 0.000 2.442 122 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.219 122 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.219 122 G C 1.900 176.902 174.900 0.171 0.000 1.141 122 G CA 1.000 46.234 45.100 0.223 0.000 0.763 122 G HN 0.496 nan 8.290 nan 0.000 0.554 123 A N 0.759 123.636 122.820 0.094 0.000 1.930 123 A HA 0.227 4.546 4.320 -0.001 0.000 0.217 123 A C 2.685 180.248 177.584 -0.034 0.000 1.175 123 A CA 1.900 53.944 52.037 0.013 0.000 0.627 123 A CB -0.895 18.087 19.000 -0.030 0.000 0.815 123 A HN 0.482 nan 8.150 nan 0.000 0.443 124 G N -0.034 108.747 108.800 -0.030 0.000 2.418 124 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 124 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 124 G C 1.538 176.128 174.900 -0.517 0.000 1.158 124 G CA 1.027 45.968 45.100 -0.265 0.000 0.771 124 G HN 0.430 nan 8.290 nan 0.000 0.545 125 L N 0.645 121.645 121.223 -0.371 0.000 2.046 125 L HA -0.031 4.309 4.340 -0.001 0.000 0.208 125 L C 3.398 180.360 176.870 0.154 0.000 1.077 125 L CA 0.992 55.725 54.840 -0.177 0.000 0.747 125 L CB -0.425 41.593 42.059 -0.069 0.000 0.896 125 L HN 0.294 nan 8.230 nan 0.000 0.432 126 A N 0.087 123.036 122.820 0.215 0.000 1.933 126 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 126 A C 2.521 180.062 177.584 -0.071 0.000 1.175 126 A CA 1.735 53.766 52.037 -0.010 0.000 0.628 126 A CB -0.638 18.253 19.000 -0.182 0.000 0.814 126 A HN 0.398 nan 8.150 nan 0.000 0.444 127 A N -0.616 122.150 122.820 -0.091 0.000 1.929 127 A HA 0.051 4.371 4.320 -0.001 0.000 0.216 127 A C 2.106 179.636 177.584 -0.089 0.000 1.176 127 A CA 1.561 53.537 52.037 -0.103 0.000 0.628 127 A CB -0.572 18.357 19.000 -0.119 0.000 0.816 127 A HN 0.654 nan 8.150 nan 0.000 0.444 128 L N 0.005 121.159 121.223 -0.114 0.000 2.012 128 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 128 L C 2.276 179.127 176.870 -0.032 0.000 1.073 128 L CA 2.783 57.567 54.840 -0.094 0.000 0.748 128 L CB -0.587 41.374 42.059 -0.164 0.000 0.891 128 L HN 0.333 nan 8.230 nan 0.000 0.431 129 K N 0.196 120.608 120.400 0.020 0.000 2.074 129 K HA -0.101 4.219 4.320 -0.001 0.000 0.209 129 K C 1.757 178.357 176.600 0.001 0.000 1.048 129 K CA 1.857 58.179 56.287 0.059 0.000 0.926 129 K CB -0.602 32.005 32.500 0.179 0.000 0.713 129 K HN 0.438 nan 8.250 nan 0.000 0.444 130 A N -0.829 121.971 122.820 -0.034 0.000 2.251 130 A HA 0.322 4.641 4.320 -0.001 0.000 0.209 130 A C 1.213 178.774 177.584 -0.038 0.000 1.187 130 A CA 0.609 52.618 52.037 -0.046 0.000 0.823 130 A CB -0.550 18.407 19.000 -0.072 0.000 0.846 130 A HN 0.542 nan 8.150 nan 0.000 0.486 131 G N -0.121 108.658 108.800 -0.035 0.000 2.221 131 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.265 131 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.265 131 G C -0.050 174.829 174.900 -0.036 0.000 1.041 131 G CA 0.319 45.401 45.100 -0.030 0.000 0.807 131 G HN 0.364 nan 8.290 nan 0.000 0.502 132 I N 0.507 121.046 120.570 -0.051 0.000 2.395 132 I HA 0.267 4.437 4.170 -0.001 0.000 0.289 132 I C -1.711 174.372 176.117 -0.058 0.000 1.023 132 I CA -2.980 58.286 61.300 -0.056 0.000 1.350 132 I CB 0.566 38.523 38.000 -0.072 0.000 1.409 132 I HN -0.149 nan 8.210 nan 0.000 0.507 133 P HA 0.067 nan 4.420 nan 0.000 0.264 133 P C -0.524 176.730 177.300 -0.078 0.000 1.183 133 P CA 0.574 63.648 63.100 -0.043 0.000 0.763 133 P CB 0.449 32.136 31.700 -0.021 0.000 0.807 134 T N 3.353 117.854 114.554 -0.088 0.000 2.909 134 T HA 0.698 5.047 4.350 -0.001 0.000 0.299 134 T C -0.094 174.501 174.700 -0.174 0.000 1.073 134 T CA -0.527 61.496 62.100 -0.129 0.000 0.999 134 T CB 0.834 69.643 68.868 -0.099 0.000 1.098 134 T HN 0.314 nan 8.240 nan 0.000 0.477 135 I N -1.270 119.151 120.570 -0.250 0.000 2.892 135 I HA 0.837 5.007 4.170 -0.001 0.000 0.306 135 I C -0.712 175.250 176.117 -0.259 0.000 1.078 135 I CA -1.017 60.086 61.300 -0.328 0.000 1.032 135 I CB 1.873 39.528 38.000 -0.575 0.000 1.229 135 I HN 0.679 nan 8.210 nan 0.000 0.435 136 C N 4.245 123.382 119.300 -0.271 0.000 2.329 136 C HA 0.510 4.970 4.460 -0.001 0.000 0.329 136 C C -0.350 174.261 174.990 -0.630 0.000 1.275 136 C CA -0.094 58.727 59.018 -0.328 0.000 1.726 136 C CB 0.108 27.737 27.740 -0.186 0.000 2.291 136 C HN 0.869 nan 8.230 nan 0.000 0.514 137 H N 3.659 122.409 119.070 -0.532 0.000 2.551 137 H HA 0.443 4.998 4.556 -0.001 0.000 0.321 137 H C 0.411 175.507 175.328 -0.387 0.000 1.028 137 H CA 0.345 56.129 56.048 -0.440 0.000 1.215 137 H CB 1.290 30.937 29.762 -0.190 0.000 1.414 137 H HN 0.964 nan 8.280 nan 0.000 0.480 138 G N 1.964 110.617 108.800 -0.245 0.000 2.634 138 G HA2 0.316 4.276 3.960 -0.001 0.000 0.255 138 G HA3 0.316 4.276 3.960 -0.001 0.000 0.255 138 G C 0.883 175.952 174.900 0.281 0.000 1.205 138 G CA 0.130 45.323 45.100 0.155 0.000 0.884 138 G HN 0.577 nan 8.290 nan 0.000 0.549 139 V N -1.996 118.040 119.914 0.202 0.000 3.548 139 V HA 0.678 4.798 4.120 -0.001 0.000 0.279 139 V C 0.893 177.084 176.094 0.162 0.000 1.446 139 V CA 1.025 63.423 62.300 0.164 0.000 1.023 139 V CB -0.145 31.714 31.823 0.059 0.000 0.820 139 V HN 1.307 nan 8.190 nan 0.000 0.438 140 G N 0.155 109.042 108.800 0.146 0.000 2.604 140 G HA2 0.414 4.373 3.960 -0.001 0.000 0.242 140 G HA3 0.414 4.373 3.960 -0.001 0.000 0.242 140 G C -1.333 173.451 174.900 -0.192 0.000 1.208 140 G CA -0.788 44.388 45.100 0.126 0.000 0.912 140 G HN 0.251 nan 8.290 nan 0.000 0.502 141 R N 0.439 120.488 120.500 -0.752 0.000 2.539 141 R HA 0.348 4.687 4.340 -0.001 0.000 0.275 141 R C -0.632 175.302 176.300 -0.611 0.000 1.077 141 R CA -0.332 55.079 56.100 -1.149 0.000 1.097 141 R CB 0.711 30.186 30.300 -1.374 0.000 1.018 141 R HN 0.521 nan 8.270 nan 0.000 0.483 142 D N 0.847 120.867 120.400 -0.633 0.000 2.443 142 D HA -0.035 4.605 4.640 -0.001 0.000 0.239 142 D C -0.709 175.369 176.300 -0.369 0.000 1.136 142 D CA 0.639 54.267 54.000 -0.620 0.000 0.879 142 D CB 0.796 41.133 40.800 -0.772 0.000 1.195 142 D HN 0.498 nan 8.370 nan 0.000 0.443 143 T N 1.542 115.934 114.554 -0.270 0.000 3.150 143 T HA 0.403 4.753 4.350 -0.001 0.000 0.383 143 T C -2.464 172.163 174.700 -0.122 0.000 1.313 143 T CA -1.686 60.312 62.100 -0.171 0.000 1.235 143 T CB 1.460 70.249 68.868 -0.131 0.000 1.088 143 T HN 0.187 nan 8.240 nan 0.000 0.556 144 P HA 0.256 nan 4.420 nan 0.000 0.220 144 P C -0.843 176.419 177.300 -0.065 0.000 1.806 144 P CA -0.048 63.006 63.100 -0.076 0.000 0.976 144 P CB -0.283 31.380 31.700 -0.062 0.000 1.952 145 D N -1.014 119.347 120.400 -0.065 0.000 2.449 145 D HA 0.162 4.802 4.640 -0.001 0.000 0.250 145 D C 0.637 176.902 176.300 -0.058 0.000 1.050 145 D CA -0.713 53.249 54.000 -0.063 0.000 1.024 145 D CB 0.418 41.180 40.800 -0.065 0.000 1.218 145 D HN -0.267 nan 8.370 nan 0.000 0.566 146 D N -0.601 119.762 120.400 -0.061 0.000 2.123 146 D HA -0.130 4.510 4.640 -0.001 0.000 0.196 146 D C 1.820 178.092 176.300 -0.046 0.000 0.992 146 D CA 0.863 54.831 54.000 -0.054 0.000 0.833 146 D CB -0.192 40.574 40.800 -0.058 0.000 0.954 146 D HN 0.328 nan 8.370 nan 0.000 0.455 147 L N 0.702 121.898 121.223 -0.045 0.000 2.046 147 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 147 L C 2.113 178.966 176.870 -0.027 0.000 1.077 147 L CA 1.788 56.611 54.840 -0.029 0.000 0.747 147 L CB -0.932 41.111 42.059 -0.027 0.000 0.896 147 L HN -0.055 nan 8.230 nan 0.000 0.432 148 T N -0.484 114.049 114.554 -0.034 0.000 2.777 148 T HA -0.154 4.196 4.350 -0.001 0.000 0.266 148 T C 2.004 176.675 174.700 -0.048 0.000 1.040 148 T CA 1.536 63.619 62.100 -0.028 0.000 1.141 148 T CB -0.222 68.627 68.868 -0.031 0.000 0.868 148 T HN 0.348 nan 8.240 nan 0.000 0.444 149 R N 0.884 121.353 120.500 -0.052 0.000 2.096 149 R HA -0.039 4.301 4.340 -0.001 0.000 0.235 149 R C 2.895 179.156 176.300 -0.066 0.000 1.127 149 R CA 1.454 57.519 56.100 -0.060 0.000 0.968 149 R CB -0.323 29.945 30.300 -0.052 0.000 0.861 149 R HN 0.262 nan 8.270 nan 0.000 0.440 150 S N 0.884 116.552 115.700 -0.053 0.000 2.368 150 S HA -0.083 4.387 4.470 -0.001 0.000 0.224 150 S C 1.958 176.519 174.600 -0.066 0.000 1.029 150 S CA 1.003 59.172 58.200 -0.051 0.000 0.988 150 S CB -0.136 63.045 63.200 -0.032 0.000 0.838 150 S HN 0.218 nan 8.310 nan 0.000 0.462 151 I N 1.583 122.117 120.570 -0.061 0.000 2.208 151 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 151 I C 2.475 178.466 176.117 -0.210 0.000 1.097 151 I CA 1.318 62.567 61.300 -0.086 0.000 1.363 151 I CB -0.365 37.618 38.000 -0.028 0.000 1.051 151 I HN 0.350 nan 8.210 nan 0.000 0.413 152 E N 0.273 120.344 120.200 -0.215 0.000 2.150 152 E HA -0.263 4.087 4.350 -0.001 0.000 0.193 152 E C 2.025 178.511 176.600 -0.189 0.000 0.985 152 E CA 0.953 57.189 56.400 -0.272 0.000 0.814 152 E CB -0.065 29.520 29.700 -0.192 0.000 0.752 152 E HN 0.486 nan 8.360 nan 0.000 0.466 153 E N 1.021 121.142 120.200 -0.132 0.000 2.077 153 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 153 E C 1.846 178.383 176.600 -0.105 0.000 0.989 153 E CA 0.925 57.265 56.400 -0.101 0.000 0.800 153 E CB 0.208 29.861 29.700 -0.078 0.000 0.746 153 E HN 0.121 nan 8.360 nan 0.000 0.452 154 E N 0.271 120.402 120.200 -0.115 0.000 2.077 154 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 154 E C 2.308 178.835 176.600 -0.122 0.000 0.989 154 E CA 0.996 57.330 56.400 -0.110 0.000 0.800 154 E CB -0.239 29.401 29.700 -0.101 0.000 0.746 154 E HN 0.223 nan 8.360 nan 0.000 0.452 155 V N 1.531 121.340 119.914 -0.176 0.000 2.295 155 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 155 V C 2.453 178.497 176.094 -0.083 0.000 1.049 155 V CA 1.840 64.043 62.300 -0.163 0.000 1.024 155 V CB -0.474 31.146 31.823 -0.337 0.000 0.648 155 V HN 0.198 nan 8.190 nan 0.000 0.447 156 R N 0.047 120.495 120.500 -0.086 0.000 2.081 156 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 156 R C 2.487 178.755 176.300 -0.055 0.000 1.131 156 R CA 1.487 57.558 56.100 -0.049 0.000 0.960 156 R CB -0.875 29.394 30.300 -0.052 0.000 0.856 156 R HN 0.605 nan 8.270 nan 0.000 0.436 157 G N 1.481 110.239 108.800 -0.070 0.000 2.421 157 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 157 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 157 G C 1.349 176.201 174.900 -0.079 0.000 1.171 157 G CA 0.501 45.559 45.100 -0.070 0.000 0.775 157 G HN 0.193 nan 8.290 nan 0.000 0.543 158 L N 1.452 122.621 121.223 -0.090 0.000 2.017 158 L HA 0.118 4.458 4.340 -0.001 0.000 0.208 158 L C 3.081 179.864 176.870 -0.144 0.000 1.073 158 L CA 2.316 57.086 54.840 -0.116 0.000 0.745 158 L CB -0.838 41.152 42.059 -0.115 0.000 0.894 158 L HN 0.239 nan 8.230 nan 0.000 0.432 159 A N -1.034 121.718 122.820 -0.112 0.000 1.908 159 A HA -0.286 4.034 4.320 -0.001 0.000 0.218 159 A C 2.314 179.836 177.584 -0.102 0.000 1.181 159 A CA 1.895 53.862 52.037 -0.116 0.000 0.627 159 A CB -0.829 18.153 19.000 -0.029 0.000 0.818 159 A HN 0.652 nan 8.150 nan 0.000 0.445 160 Q N 0.036 119.792 119.800 -0.073 0.000 2.084 160 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 160 Q C 2.216 178.175 176.000 -0.070 0.000 0.978 160 Q CA 1.741 57.508 55.803 -0.059 0.000 0.844 160 Q CB -0.269 28.441 28.738 -0.048 0.000 0.898 160 Q HN 0.732 nan 8.270 nan 0.000 0.426 161 R N -0.216 120.233 120.500 -0.085 0.000 2.148 161 R HA -0.018 4.321 4.340 -0.001 0.000 0.227 161 R C 2.248 178.489 176.300 -0.099 0.000 1.103 161 R CA 0.787 56.837 56.100 -0.083 0.000 0.983 161 R CB -0.116 30.134 30.300 -0.084 0.000 0.874 161 R HN 0.262 nan 8.270 nan 0.000 0.451 162 L N -0.303 120.827 121.223 -0.154 0.000 2.599 162 L HA 0.166 4.506 4.340 -0.001 0.000 0.230 162 L C 1.031 177.844 176.870 -0.096 0.000 1.141 162 L CA 0.335 55.065 54.840 -0.184 0.000 0.877 162 L CB 0.097 41.891 42.059 -0.441 0.000 1.009 162 L HN 0.404 nan 8.230 nan 0.000 0.447 163 G N 0.820 109.577 108.800 -0.071 0.000 2.147 163 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.244 163 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.244 163 G C 0.007 174.887 174.900 -0.033 0.000 1.005 163 G CA -0.175 44.903 45.100 -0.038 0.000 0.713 163 G HN 0.252 nan 8.290 nan 0.000 0.515 164 L N 1.062 122.253 121.223 -0.054 0.000 2.280 164 L HA 0.417 4.757 4.340 -0.001 0.000 0.287 164 L C -0.511 176.345 176.870 -0.023 0.000 1.023 164 L CA -0.978 53.838 54.840 -0.040 0.000 0.819 164 L CB 1.194 43.211 42.059 -0.069 0.000 1.212 164 L HN 0.102 nan 8.230 nan 0.000 0.420 165 D N 4.861 125.258 120.400 -0.006 0.000 2.343 165 D HA 0.425 5.065 4.640 -0.001 0.000 0.255 165 D C -0.462 175.854 176.300 0.027 0.000 1.187 165 D CA 0.045 54.048 54.000 0.005 0.000 0.875 165 D CB 0.895 41.698 40.800 0.005 0.000 1.136 165 D HN 0.246 nan 8.370 nan 0.000 0.469 166 L N 3.193 124.437 121.223 0.035 0.000 2.342 166 L HA 0.525 4.864 4.340 -0.001 0.000 0.271 166 L C -1.951 174.942 176.870 0.039 0.000 1.008 166 L CA -2.150 52.730 54.840 0.065 0.000 0.818 166 L CB 1.197 43.315 42.059 0.099 0.000 1.296 166 L HN 0.207 nan 8.230 nan 0.000 0.427 167 P HA 0.178 nan 4.420 nan 0.000 0.270 167 P C -2.475 174.830 177.300 0.007 0.000 1.223 167 P CA -0.771 62.342 63.100 0.021 0.000 0.785 167 P CB -0.323 31.391 31.700 0.023 0.000 0.923 168 P HA 0.315 nan 4.420 nan 0.000 0.272 168 P C 0.275 177.565 177.300 -0.016 0.000 1.230 168 P CA 0.365 63.457 63.100 -0.012 0.000 0.788 168 P CB 0.409 32.101 31.700 -0.013 0.000 0.949 169 G N 0.522 109.307 108.800 -0.025 0.000 2.610 169 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.304 169 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.304 169 G C -0.612 174.264 174.900 -0.039 0.000 1.309 169 G CA -0.893 44.189 45.100 -0.029 0.000 0.906 169 G HN 0.664 nan 8.290 nan 0.000 0.521 170 R N -0.477 120.000 120.500 -0.039 0.000 2.758 170 R HA 0.099 4.438 4.340 -0.001 0.000 0.263 170 R C 1.672 177.931 176.300 -0.069 0.000 1.010 170 R CA -0.118 55.951 56.100 -0.051 0.000 1.114 170 R CB 0.157 30.437 30.300 -0.033 0.000 0.985 170 R HN 0.419 nan 8.270 nan 0.000 0.439 171 I N 1.201 121.705 120.570 -0.110 0.000 2.226 171 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 171 I C 0.820 176.828 176.117 -0.181 0.000 1.100 171 I CA 1.233 62.407 61.300 -0.210 0.000 1.374 171 I CB -1.026 36.786 38.000 -0.313 0.000 1.057 171 I HN 0.726 nan 8.210 nan 0.000 0.413 172 D N 1.072 121.431 120.400 -0.068 0.000 2.689 172 D HA -0.178 4.462 4.640 -0.001 0.000 0.237 172 D C 1.059 177.392 176.300 0.054 0.000 1.148 172 D CA 0.966 54.975 54.000 0.016 0.000 0.656 172 D CB -1.247 39.555 40.800 0.003 0.000 1.050 172 D HN 0.659 nan 8.370 nan 0.000 0.426 173 G N 0.241 109.066 108.800 0.042 0.000 2.258 173 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.274 173 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.274 173 G C 0.823 175.810 174.900 0.145 0.000 1.021 173 G CA 0.279 45.458 45.100 0.132 0.000 0.798 173 G HN 0.952 nan 8.290 nan 0.000 0.507 174 F N -2.209 117.822 119.950 0.134 0.000 3.084 174 F HA -0.195 4.332 4.527 -0.001 0.000 0.286 174 F C 2.012 177.846 175.800 0.058 0.000 0.855 174 F CA 1.895 59.945 58.000 0.083 0.000 1.091 174 F CB -1.640 37.403 39.000 0.071 0.000 1.177 174 F HN 1.738 nan 8.300 nan 0.000 0.542 175 G N -0.869 108.024 108.800 0.154 0.000 2.155 175 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.257 175 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.257 175 G C 0.377 175.334 174.900 0.095 0.000 0.983 175 G CA 0.301 45.462 45.100 0.102 0.000 0.676 175 G HN 0.536 nan 8.290 nan 0.000 0.528 176 N N 0.987 119.760 118.700 0.121 0.000 2.434 176 N HA 0.486 5.225 4.740 -0.001 0.000 0.266 176 N C -2.481 173.052 175.510 0.038 0.000 1.223 176 N CA -1.473 51.614 53.050 0.061 0.000 0.972 176 N CB 0.524 39.036 38.487 0.042 0.000 1.207 176 N HN 0.028 nan 8.380 nan 0.000 0.525 177 P HA 0.073 nan 4.420 nan 0.000 0.267 177 P C -0.883 176.396 177.300 -0.034 0.000 1.200 177 P CA 0.312 63.376 63.100 -0.060 0.000 0.772 177 P CB 0.265 31.744 31.700 -0.367 0.000 0.855 178 F N 3.333 123.251 119.950 -0.052 0.000 2.507 178 F HA 0.441 4.967 4.527 -0.000 0.000 0.325 178 F C -0.805 175.012 175.800 0.030 0.000 1.116 178 F CA -1.033 56.962 58.000 -0.008 0.000 0.930 178 F CB 0.997 40.029 39.000 0.053 0.000 1.146 178 F HN 0.063 nan 8.300 nan 0.000 0.447 179 I N 4.894 125.339 120.570 -0.209 0.000 2.297 179 I HA 0.205 4.374 4.170 -0.001 0.000 0.291 179 I C -0.509 175.618 176.117 0.017 0.000 1.033 179 I CA -0.438 60.793 61.300 -0.115 0.000 1.253 179 I CB 0.709 38.437 38.000 -0.454 0.000 1.396 179 I HN 0.457 nan 8.210 nan 0.000 0.476 180 D N 6.895 127.483 120.400 0.313 0.000 2.381 180 D HA 0.332 4.972 4.640 -0.001 0.000 0.235 180 D C 0.808 177.271 176.300 0.272 0.000 1.068 180 D CA -0.433 53.842 54.000 0.459 0.000 0.832 180 D CB 1.284 42.401 40.800 0.528 0.000 1.101 180 D HN 0.539 nan 8.370 nan 0.000 0.515 181 I N 0.425 121.156 120.570 0.268 0.000 3.928 181 I HA 0.382 4.552 4.170 -0.001 0.000 0.335 181 I C -0.061 176.201 176.117 0.241 0.000 1.325 181 I CA -0.502 60.930 61.300 0.220 0.000 1.107 181 I CB -0.045 38.090 38.000 0.224 0.000 1.014 181 I HN 0.049 nan 8.210 nan 0.000 0.400 182 F N 4.150 124.177 119.950 0.127 0.000 2.412 182 F HA 0.502 5.028 4.527 -0.001 0.000 0.348 182 F C -2.049 173.801 175.800 0.083 0.000 1.102 182 F CA -2.588 55.467 58.000 0.091 0.000 1.196 182 F CB 0.493 39.534 39.000 0.068 0.000 1.144 182 F HN -0.128 nan 8.300 nan 0.000 0.541 183 P HA -0.018 nan 4.420 nan 0.000 0.258 183 P C -2.184 175.135 177.300 0.031 0.000 1.172 183 P CA -0.518 62.491 63.100 -0.152 0.000 0.762 183 P CB 0.303 31.832 31.700 -0.284 0.000 0.764 184 P HA -0.233 nan 4.420 nan 0.000 0.216 184 P C 1.587 178.951 177.300 0.106 0.000 1.153 184 P CA 1.865 65.032 63.100 0.112 0.000 0.858 184 P CB -0.253 31.492 31.700 0.075 0.000 0.789 185 S N -1.052 114.688 115.700 0.067 0.000 2.419 185 S HA -0.108 4.362 4.470 -0.001 0.000 0.233 185 S C 1.665 176.323 174.600 0.097 0.000 1.016 185 S CA 1.139 59.377 58.200 0.063 0.000 0.974 185 S CB -1.409 61.812 63.200 0.035 0.000 0.786 185 S HN 0.120 nan 8.310 nan 0.000 0.492 186 L N 0.116 121.423 121.223 0.140 0.000 2.640 186 L HA 0.334 4.673 4.340 -0.001 0.000 0.230 186 L C 0.975 178.078 176.870 0.388 0.000 1.123 186 L CA -0.263 54.722 54.840 0.241 0.000 0.900 186 L CB -0.204 41.984 42.059 0.215 0.000 1.146 186 L HN 0.276 nan 8.230 nan 0.000 0.484 187 Q N 1.498 121.507 119.800 0.349 0.000 2.340 187 Q HA 0.072 4.412 4.340 -0.001 0.000 0.249 187 Q C -0.013 176.056 176.000 0.115 0.000 0.957 187 Q CA 0.027 55.983 55.803 0.254 0.000 0.882 187 Q CB 0.627 29.531 28.738 0.276 0.000 1.235 187 Q HN 0.009 nan 8.270 nan 0.000 0.439 188 E N 4.618 124.835 120.200 0.029 0.000 2.568 188 E HA -0.075 4.274 4.350 -0.001 0.000 0.262 188 E C -1.804 174.840 176.600 0.072 0.000 0.961 188 E CA -0.928 55.490 56.400 0.030 0.000 0.945 188 E CB 0.231 29.927 29.700 -0.007 0.000 0.924 188 E HN 0.564 nan 8.360 nan 0.000 0.467 189 P HA -0.144 nan 4.420 nan 0.000 0.216 189 P C 0.850 178.165 177.300 0.026 0.000 1.153 189 P CA 1.209 64.331 63.100 0.037 0.000 0.848 189 P CB 0.374 32.087 31.700 0.023 0.000 0.787 190 E N -1.348 118.868 120.200 0.027 0.000 2.077 190 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 190 E C 1.753 178.355 176.600 0.003 0.000 0.989 190 E CA 0.987 57.392 56.400 0.008 0.000 0.800 190 E CB -1.175 28.532 29.700 0.011 0.000 0.746 190 E HN 0.200 nan 8.360 nan 0.000 0.452 191 F N 1.188 121.078 119.950 -0.101 0.000 2.186 191 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 191 F C 2.356 178.080 175.800 -0.127 0.000 1.090 191 F CA 1.386 59.297 58.000 -0.150 0.000 1.307 191 F CB 0.041 38.922 39.000 -0.197 0.000 1.019 191 F HN -0.142 nan 8.300 nan 0.000 0.489 192 R N 0.342 120.863 120.500 0.035 0.000 2.105 192 R HA -0.163 4.176 4.340 -0.001 0.000 0.239 192 R C 1.928 178.156 176.300 -0.120 0.000 1.135 192 R CA 1.379 57.470 56.100 -0.015 0.000 0.967 192 R CB -0.544 29.784 30.300 0.047 0.000 0.861 192 R HN 0.318 nan 8.270 nan 0.000 0.442 193 A N 0.946 123.696 122.820 -0.117 0.000 2.238 193 A HA 0.022 4.342 4.320 -0.001 0.000 0.208 193 A C 0.719 178.194 177.584 -0.182 0.000 1.177 193 A CA -0.293 51.672 52.037 -0.120 0.000 0.804 193 A CB -0.367 18.588 19.000 -0.074 0.000 0.823 193 A HN 0.261 nan 8.150 nan 0.000 0.482 194 R N 1.051 121.365 120.500 -0.309 0.000 2.570 194 R HA 0.151 4.491 4.340 -0.001 0.000 0.277 194 R C -2.568 173.569 176.300 -0.271 0.000 1.039 194 R CA -1.182 54.704 56.100 -0.356 0.000 1.065 194 R CB 0.155 30.050 30.300 -0.675 0.000 0.964 194 R HN 0.064 nan 8.270 nan 0.000 0.428 195 P HA 0.010 nan 4.420 nan 0.000 0.269 195 P C -0.743 176.469 177.300 -0.146 0.000 1.215 195 P CA 0.183 63.201 63.100 -0.136 0.000 0.780 195 P CB 0.472 32.122 31.700 -0.082 0.000 0.898 196 R N -1.482 118.940 120.500 -0.130 0.000 3.531 196 R HA -0.212 4.128 4.340 -0.001 0.000 0.280 196 R C 0.204 176.387 176.300 -0.196 0.000 1.130 196 R CA 0.542 56.587 56.100 -0.092 0.000 0.757 196 R CB -1.703 28.622 30.300 0.042 0.000 1.218 196 R HN 0.560 nan 8.270 nan 0.000 0.454 197 R N 1.291 121.573 120.500 -0.364 0.000 2.346 197 R HA 0.298 4.638 4.340 -0.001 0.000 0.311 197 R C -0.732 175.306 176.300 -0.437 0.000 0.983 197 R CA -0.503 55.435 56.100 -0.271 0.000 0.880 197 R CB 0.902 31.027 30.300 -0.291 0.000 1.100 197 R HN 0.171 nan 8.270 nan 0.000 0.453 198 H N 2.855 122.003 119.070 0.131 0.000 2.609 198 H HA 0.178 4.734 4.556 -0.001 0.000 0.344 198 H C -0.695 174.709 175.328 0.126 0.000 1.040 198 H CA -0.767 55.360 56.048 0.131 0.000 1.216 198 H CB 1.867 31.742 29.762 0.187 0.000 1.529 198 H HN 0.588 nan 8.280 nan 0.000 0.519 199 E N 2.035 122.353 120.200 0.197 0.000 2.373 199 E HA 0.236 4.585 4.350 -0.001 0.000 0.267 199 E C -0.571 176.114 176.600 0.142 0.000 1.032 199 E CA -0.432 56.062 56.400 0.157 0.000 0.889 199 E CB 1.274 31.044 29.700 0.117 0.000 0.984 199 E HN 0.160 nan 8.360 nan 0.000 0.425 200 L N 2.355 123.650 121.223 0.120 0.000 2.470 200 L HA 0.304 4.643 4.340 -0.001 0.000 0.268 200 L C -0.742 176.191 176.870 0.105 0.000 0.964 200 L CA -0.529 54.372 54.840 0.101 0.000 0.839 200 L CB 1.742 43.842 42.059 0.069 0.000 1.276 200 L HN 0.416 nan 8.230 nan 0.000 0.403 201 R N 5.913 126.469 120.500 0.094 0.000 2.538 201 R HA 0.228 4.568 4.340 -0.001 0.000 0.282 201 R C -2.030 174.331 176.300 0.102 0.000 1.009 201 R CA -0.730 55.418 56.100 0.081 0.000 1.063 201 R CB 0.566 30.906 30.300 0.066 0.000 0.945 201 R HN 0.500 nan 8.270 nan 0.000 0.414 202 P HA 0.039 nan 4.420 nan 0.000 0.244 202 P C -0.735 176.627 177.300 0.103 0.000 1.769 202 P CA -0.131 63.039 63.100 0.116 0.000 1.102 202 P CB 0.414 32.169 31.700 0.093 0.000 1.937 203 V N 6.193 126.179 119.914 0.120 0.000 2.529 203 V HA 0.089 4.209 4.120 -0.001 0.000 0.292 203 V C -1.319 174.854 176.094 0.131 0.000 1.028 203 V CA -1.022 61.343 62.300 0.108 0.000 1.074 203 V CB 0.073 31.966 31.823 0.117 0.000 0.958 203 V HN 0.420 nan 8.190 nan 0.000 0.481 204 P HA 0.338 nan 4.420 nan 0.000 0.274 204 P C -1.048 176.346 177.300 0.158 0.000 1.246 204 P CA -0.275 62.899 63.100 0.124 0.000 0.795 204 P CB 0.836 32.572 31.700 0.059 0.000 1.006 205 F N 0.307 120.245 119.950 -0.020 0.000 2.569 205 F HA 0.637 5.164 4.527 -0.001 0.000 0.312 205 F C -1.533 174.164 175.800 -0.171 0.000 1.109 205 F CA -0.560 57.354 58.000 -0.142 0.000 0.919 205 F CB 1.858 40.689 39.000 -0.282 0.000 1.211 205 F HN 0.483 nan 8.300 nan 0.000 0.446 206 A N 4.744 127.070 122.820 -0.823 0.000 2.422 206 A HA 0.486 4.805 4.320 -0.001 0.000 0.302 206 A C -1.048 176.208 177.584 -0.547 0.000 1.041 206 A CA -0.725 51.052 52.037 -0.434 0.000 0.708 206 A CB 1.330 20.193 19.000 -0.228 0.000 1.257 206 A HN 0.838 nan 8.150 nan 0.000 0.414 207 E N 1.590 121.783 120.200 -0.012 0.000 2.398 207 E HA 0.152 4.502 4.350 -0.001 0.000 0.263 207 E C 0.423 177.048 176.600 0.042 0.000 1.046 207 E CA -0.214 56.255 56.400 0.115 0.000 0.908 207 E CB 0.473 30.430 29.700 0.429 0.000 0.963 207 E HN 0.728 nan 8.360 nan 0.000 0.431 208 Q N 2.153 121.953 119.800 0.001 0.000 2.333 208 Q HA 0.206 4.545 4.340 -0.001 0.000 0.299 208 Q C -0.437 175.591 176.000 0.045 0.000 1.067 208 Q CA 0.750 56.547 55.803 -0.010 0.000 0.943 208 Q CB 0.490 29.220 28.738 -0.014 0.000 1.233 208 Q HN 0.621 nan 8.270 nan 0.000 0.401 209 G N 2.807 111.619 108.800 0.021 0.000 2.220 209 G HA2 0.040 4.000 3.960 -0.001 0.000 0.232 209 G HA3 0.040 4.000 3.960 -0.001 0.000 0.232 209 G C -1.514 173.388 174.900 0.004 0.000 1.680 209 G CA -0.740 44.385 45.100 0.041 0.000 0.922 209 G HN 0.674 nan 8.290 nan 0.000 0.723 210 D N 0.493 120.888 120.400 -0.008 0.000 2.361 210 D HA 0.313 4.953 4.640 -0.001 0.000 0.239 210 D C 1.246 177.514 176.300 -0.055 0.000 1.200 210 D CA 0.119 54.096 54.000 -0.039 0.000 0.915 210 D CB 1.067 41.844 40.800 -0.039 0.000 1.170 210 D HN 0.350 nan 8.370 nan 0.000 0.444 211 L N 1.561 122.722 121.223 -0.103 0.000 2.452 211 L HA 0.160 4.499 4.340 -0.001 0.000 0.267 211 L C -1.899 174.893 176.870 -0.131 0.000 1.188 211 L CA -1.502 53.248 54.840 -0.149 0.000 0.821 211 L CB 0.033 41.951 42.059 -0.236 0.000 1.102 211 L HN 0.120 nan 8.230 nan 0.000 0.470 212 P HA -0.086 nan 4.420 nan 0.000 0.263 212 P C -0.069 177.130 177.300 -0.168 0.000 1.175 212 P CA 0.240 63.300 63.100 -0.065 0.000 0.761 212 P CB 0.723 32.423 31.700 -0.001 0.000 0.794 213 A N 5.374 128.185 122.820 -0.015 0.000 1.933 213 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 213 A C 1.829 179.397 177.584 -0.027 0.000 1.175 213 A CA 1.192 53.215 52.037 -0.024 0.000 0.628 213 A CB -1.432 17.593 19.000 0.042 0.000 0.814 213 A HN 0.832 nan 8.150 nan 0.000 0.444 214 W N 0.278 121.561 121.300 -0.030 0.000 2.392 214 W HA -0.104 4.555 4.660 -0.001 0.000 0.279 214 W C 1.195 177.692 176.519 -0.036 0.000 1.225 214 W CA 0.859 58.188 57.345 -0.026 0.000 1.233 214 W CB -1.185 28.266 29.460 -0.016 0.000 1.122 214 W HN 0.261 nan 8.180 nan 0.000 0.561 215 L N 1.610 122.310 121.223 -0.872 0.000 2.127 215 L HA -0.210 4.130 4.340 -0.001 0.000 0.211 215 L C 2.738 179.378 176.870 -0.382 0.000 1.089 215 L CA 1.778 56.115 54.840 -0.838 0.000 0.757 215 L CB -0.903 40.638 42.059 -0.863 0.000 0.899 215 L HN -0.096 nan 8.230 nan 0.000 0.434 216 S N -0.792 114.752 115.700 -0.261 0.000 2.474 216 S HA -0.086 4.383 4.470 -0.001 0.000 0.235 216 S C 1.784 176.335 174.600 -0.082 0.000 0.997 216 S CA 1.264 59.369 58.200 -0.157 0.000 0.949 216 S CB -0.033 63.094 63.200 -0.121 0.000 0.766 216 S HN 0.613 nan 8.310 nan 0.000 0.517 217 S N 0.835 116.512 115.700 -0.039 0.000 2.603 217 S HA 0.202 4.672 4.470 -0.001 0.000 0.232 217 S C 0.414 175.042 174.600 0.046 0.000 1.016 217 S CA -0.812 57.395 58.200 0.012 0.000 0.976 217 S CB -0.025 63.197 63.200 0.037 0.000 0.921 217 S HN 0.539 nan 8.310 nan 0.000 0.516 218 R N 1.313 121.840 120.500 0.045 0.000 2.738 218 R HA 0.214 4.554 4.340 -0.001 0.000 0.268 218 R C -0.722 175.611 176.300 0.055 0.000 1.062 218 R CA -0.217 55.945 56.100 0.104 0.000 1.158 218 R CB 0.019 30.396 30.300 0.129 0.000 1.046 218 R HN 0.019 nan 8.270 nan 0.000 0.493 219 D N 2.152 122.595 120.400 0.072 0.000 2.383 219 D HA -0.022 4.617 4.640 -0.001 0.000 0.245 219 D C 0.609 176.934 176.300 0.041 0.000 1.263 219 D CA -0.055 53.974 54.000 0.048 0.000 0.936 219 D CB 0.874 41.704 40.800 0.050 0.000 1.053 219 D HN 0.652 nan 8.370 nan 0.000 0.507 220 T N 0.696 115.263 114.554 0.023 0.000 3.163 220 T HA 0.059 4.408 4.350 -0.001 0.000 0.260 220 T C 1.627 176.341 174.700 0.023 0.000 1.156 220 T CA 0.412 62.523 62.100 0.019 0.000 1.072 220 T CB 0.052 68.924 68.868 0.006 0.000 0.937 220 T HN 0.278 nan 8.240 nan 0.000 0.528 221 A N 1.301 124.135 122.820 0.025 0.000 2.119 221 A HA 0.207 4.526 4.320 -0.001 0.000 0.217 221 A C 1.366 178.968 177.584 0.029 0.000 1.153 221 A CA 0.046 52.097 52.037 0.024 0.000 0.692 221 A CB -0.217 18.796 19.000 0.021 0.000 0.799 221 A HN 0.544 nan 8.150 nan 0.000 0.458 222 R N 0.587 121.110 120.500 0.038 0.000 2.404 222 R HA 0.388 4.728 4.340 -0.001 0.000 0.291 222 R C -2.645 173.685 176.300 0.050 0.000 1.025 222 R CA -2.112 54.015 56.100 0.046 0.000 0.991 222 R CB 0.458 30.793 30.300 0.059 0.000 1.053 222 R HN 0.148 nan 8.270 nan 0.000 0.479 223 P HA -0.016 nan 4.420 nan 0.000 0.269 223 P C -1.073 176.271 177.300 0.073 0.000 1.209 223 P CA -0.297 62.834 63.100 0.052 0.000 0.776 223 P CB 0.656 32.384 31.700 0.046 0.000 0.876 224 L N 3.955 125.222 121.223 0.073 0.000 2.287 224 L HA 0.380 4.720 4.340 -0.001 0.000 0.287 224 L C -0.917 176.019 176.870 0.109 0.000 1.022 224 L CA -0.566 54.336 54.840 0.102 0.000 0.814 224 L CB 1.402 43.504 42.059 0.071 0.000 1.217 224 L HN 0.054 nan 8.230 nan 0.000 0.420 225 V N 5.535 125.531 119.914 0.137 0.000 2.435 225 V HA 0.351 4.470 4.120 -0.001 0.000 0.290 225 V C -1.061 175.156 176.094 0.206 0.000 1.030 225 V CA -0.645 61.735 62.300 0.134 0.000 0.881 225 V CB 1.350 33.229 31.823 0.094 0.000 0.983 225 V HN 0.662 nan 8.190 nan 0.000 0.445 226 Y N 5.923 126.248 120.300 0.042 0.000 2.328 226 Y HA 0.729 5.279 4.550 -0.001 0.000 0.337 226 Y C -0.936 174.985 175.900 0.035 0.000 0.966 226 Y CA -1.465 56.658 58.100 0.038 0.000 1.136 226 Y CB 1.610 40.074 38.460 0.006 0.000 1.170 226 Y HN 0.592 nan 8.280 nan 0.000 0.470 227 L N 6.535 127.574 121.223 -0.306 0.000 2.333 227 L HA 0.778 5.118 4.340 -0.001 0.000 0.280 227 L C -0.815 175.763 176.870 -0.487 0.000 1.004 227 L CA 0.069 54.722 54.840 -0.312 0.000 0.820 227 L CB 1.860 43.871 42.059 -0.080 0.000 1.247 227 L HN 0.758 nan 8.230 nan 0.000 0.416 228 T N 4.545 118.854 114.554 -0.407 0.000 2.894 228 T HA 0.511 4.861 4.350 -0.001 0.000 0.309 228 T C -0.268 174.410 174.700 -0.036 0.000 1.208 228 T CA -0.483 61.456 62.100 -0.269 0.000 1.016 228 T CB 0.956 69.597 68.868 -0.379 0.000 1.192 228 T HN 0.604 nan 8.240 nan 0.000 0.491 229 L N 3.020 124.202 121.223 -0.069 0.000 3.168 229 L HA 0.517 4.856 4.340 -0.001 0.000 0.277 229 L C 1.255 177.716 176.870 -0.681 0.000 1.245 229 L CA -0.037 54.693 54.840 -0.183 0.000 1.035 229 L CB -0.139 41.860 42.059 -0.099 0.000 1.399 229 L HN 1.124 nan 8.230 nan 0.000 0.580 230 G N 1.143 109.716 108.800 -0.379 0.000 2.632 230 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.224 230 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.224 230 G C 0.455 175.318 174.900 -0.060 0.000 1.341 230 G CA 0.112 45.071 45.100 -0.236 0.000 0.880 230 G HN 0.248 nan 8.290 nan 0.000 0.566 231 T N -3.918 110.669 114.554 0.055 0.000 2.975 231 T HA 0.516 4.865 4.350 -0.001 0.000 0.257 231 T C 0.943 175.730 174.700 0.145 0.000 1.003 231 T CA 1.245 63.423 62.100 0.130 0.000 0.932 231 T CB 0.447 69.447 68.868 0.221 0.000 1.087 231 T HN 1.213 nan 8.240 nan 0.000 0.512 232 S N 2.165 117.947 115.700 0.137 0.000 2.217 232 S HA 0.513 4.982 4.470 -0.001 0.000 0.168 232 S C 0.345 175.036 174.600 0.151 0.000 1.526 232 S CA -0.312 57.996 58.200 0.181 0.000 1.150 232 S CB 0.395 63.748 63.200 0.256 0.000 1.158 232 S HN 0.511 nan 8.310 nan 0.000 0.473 233 S N 1.540 117.300 115.700 0.101 0.000 3.425 233 S HA -0.216 4.253 4.470 -0.001 0.000 0.377 233 S C 1.310 175.993 174.600 0.138 0.000 0.989 233 S CA 0.707 58.964 58.200 0.096 0.000 1.183 233 S CB -1.267 62.007 63.200 0.123 0.000 0.908 233 S HN 0.957 nan 8.310 nan 0.000 0.472 234 G N -0.103 108.733 108.800 0.061 0.000 2.848 234 G HA2 0.484 4.444 3.960 -0.001 0.000 0.208 234 G HA3 0.484 4.444 3.960 -0.001 0.000 0.208 234 G C 0.577 175.532 174.900 0.093 0.000 1.152 234 G CA 0.458 45.654 45.100 0.161 0.000 0.789 234 G HN 1.192 nan 8.290 nan 0.000 0.531 235 G N -1.287 107.485 108.800 -0.046 0.000 2.523 235 G HA2 0.530 4.490 3.960 -0.001 0.000 0.291 235 G HA3 0.530 4.490 3.960 -0.001 0.000 0.291 235 G C -0.748 174.056 174.900 -0.160 0.000 1.450 235 G CA 0.087 45.091 45.100 -0.160 0.000 0.790 235 G HN 0.542 nan 8.290 nan 0.000 0.496 236 T N -2.110 112.318 114.554 -0.210 0.000 2.950 236 T HA 0.535 4.885 4.350 -0.001 0.000 0.288 236 T C 1.346 175.975 174.700 -0.118 0.000 1.035 236 T CA -0.099 61.906 62.100 -0.158 0.000 1.028 236 T CB 1.547 70.297 68.868 -0.197 0.000 1.109 236 T HN 0.653 nan 8.240 nan 0.000 0.514 237 V N 1.125 120.987 119.914 -0.087 0.000 2.469 237 V HA -0.132 3.988 4.120 -0.001 0.000 0.251 237 V C 2.623 178.668 176.094 -0.081 0.000 1.064 237 V CA 1.941 64.200 62.300 -0.068 0.000 1.066 237 V CB -1.202 30.591 31.823 -0.050 0.000 0.667 237 V HN 0.851 nan 8.190 nan 0.000 0.461 238 E N 0.410 120.550 120.200 -0.100 0.000 2.038 238 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 238 E C 2.204 178.722 176.600 -0.136 0.000 1.000 238 E CA 1.462 57.797 56.400 -0.109 0.000 0.803 238 E CB -0.801 28.829 29.700 -0.118 0.000 0.750 238 E HN 0.408 nan 8.360 nan 0.000 0.448 239 V N 0.755 120.564 119.914 -0.175 0.000 2.287 239 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 239 V C 2.268 178.270 176.094 -0.154 0.000 1.053 239 V CA 1.692 63.857 62.300 -0.225 0.000 1.027 239 V CB -0.531 31.143 31.823 -0.248 0.000 0.646 239 V HN 0.198 nan 8.190 nan 0.000 0.447 240 L N 0.131 121.301 121.223 -0.088 0.000 1.989 240 L HA -0.192 4.148 4.340 -0.001 0.000 0.211 240 L C 2.617 179.464 176.870 -0.038 0.000 1.071 240 L CA 2.333 57.151 54.840 -0.036 0.000 0.749 240 L CB -0.672 41.368 42.059 -0.031 0.000 0.890 240 L HN 0.234 nan 8.230 nan 0.000 0.431 241 R N -0.228 120.240 120.500 -0.053 0.000 2.083 241 R HA -0.156 4.184 4.340 -0.001 0.000 0.237 241 R C 2.162 178.431 176.300 -0.052 0.000 1.137 241 R CA 1.773 57.845 56.100 -0.046 0.000 0.951 241 R CB -0.872 29.398 30.300 -0.050 0.000 0.851 241 R HN 0.504 nan 8.270 nan 0.000 0.434 242 A N 0.065 122.837 122.820 -0.081 0.000 1.908 242 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 242 A C 2.380 179.923 177.584 -0.069 0.000 1.181 242 A CA 1.980 53.960 52.037 -0.095 0.000 0.627 242 A CB -1.107 17.799 19.000 -0.157 0.000 0.818 242 A HN 0.526 nan 8.150 nan 0.000 0.445 243 A N -0.175 122.614 122.820 -0.052 0.000 1.873 243 A HA -0.026 4.293 4.320 -0.001 0.000 0.215 243 A C 2.129 179.740 177.584 0.045 0.000 1.186 243 A CA 1.387 53.454 52.037 0.050 0.000 0.616 243 A CB -0.593 18.516 19.000 0.182 0.000 0.823 243 A HN 0.484 nan 8.150 nan 0.000 0.442 244 I N 0.054 120.636 120.570 0.019 0.000 2.163 244 I HA -0.272 3.898 4.170 -0.001 0.000 0.243 244 I C 1.791 177.910 176.117 0.003 0.000 1.085 244 I CA 1.673 62.979 61.300 0.010 0.000 1.347 244 I CB -0.468 37.530 38.000 -0.005 0.000 1.044 244 I HN 0.279 nan 8.210 nan 0.000 0.408 245 D N 0.690 121.085 120.400 -0.008 0.000 2.178 245 D HA -0.097 4.543 4.640 -0.001 0.000 0.202 245 D C 2.156 178.455 176.300 -0.003 0.000 0.974 245 D CA 1.446 55.440 54.000 -0.011 0.000 0.841 245 D CB -0.341 40.447 40.800 -0.020 0.000 0.953 245 D HN 0.407 nan 8.370 nan 0.000 0.478 246 G N 0.308 109.110 108.800 0.003 0.000 2.421 246 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.217 246 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.217 246 G C 1.731 176.645 174.900 0.024 0.000 1.143 246 G CA 0.086 45.193 45.100 0.013 0.000 0.784 246 G HN 0.233 nan 8.290 nan 0.000 0.541 247 L N 0.341 121.583 121.223 0.031 0.000 2.249 247 L HA 0.182 4.522 4.340 -0.001 0.000 0.207 247 L C 3.253 180.137 176.870 0.024 0.000 1.090 247 L CA 0.653 55.513 54.840 0.034 0.000 0.802 247 L CB -0.214 41.872 42.059 0.045 0.000 0.947 247 L HN 0.248 nan 8.230 nan 0.000 0.453 248 A N 0.578 123.407 122.820 0.014 0.000 2.019 248 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 248 A C 2.354 179.942 177.584 0.006 0.000 1.164 248 A CA 1.621 53.661 52.037 0.006 0.000 0.644 248 A CB -1.096 17.901 19.000 -0.005 0.000 0.805 248 A HN 0.434 nan 8.150 nan 0.000 0.449 249 G N -0.120 108.684 108.800 0.007 0.000 2.432 249 G HA2 0.022 3.982 3.960 -0.001 0.000 0.219 249 G HA3 0.022 3.982 3.960 -0.001 0.000 0.219 249 G C 0.816 175.722 174.900 0.011 0.000 1.135 249 G CA 0.497 45.601 45.100 0.007 0.000 0.767 249 G HN 0.474 nan 8.290 nan 0.000 0.550 250 L N 0.231 121.464 121.223 0.016 0.000 2.479 250 L HA 0.133 4.473 4.340 -0.001 0.000 0.270 250 L C 0.436 177.319 176.870 0.022 0.000 1.236 250 L CA -0.429 54.424 54.840 0.020 0.000 0.823 250 L CB 0.351 42.425 42.059 0.025 0.000 1.098 250 L HN -0.026 nan 8.230 nan 0.000 0.500 251 D N 1.149 121.564 120.400 0.024 0.000 2.688 251 D HA 0.436 5.076 4.640 -0.001 0.000 0.228 251 D C -0.437 175.885 176.300 0.036 0.000 1.116 251 D CA 0.173 54.189 54.000 0.026 0.000 1.023 251 D CB 0.025 40.839 40.800 0.024 0.000 1.100 251 D HN 0.588 nan 8.370 nan 0.000 0.487 252 A N 1.673 124.518 122.820 0.042 0.000 2.594 252 A HA 0.538 4.858 4.320 -0.001 0.000 0.291 252 A C -1.054 176.575 177.584 0.075 0.000 1.105 252 A CA -0.967 51.106 52.037 0.059 0.000 0.694 252 A CB 1.320 20.355 19.000 0.058 0.000 1.291 252 A HN 0.192 nan 8.150 nan 0.000 0.410 253 D N 0.641 121.113 120.400 0.118 0.000 2.210 253 D HA 0.490 5.129 4.640 -0.001 0.000 0.249 253 D C -0.735 175.677 176.300 0.187 0.000 1.078 253 D CA 0.147 54.251 54.000 0.173 0.000 0.875 253 D CB 1.774 42.774 40.800 0.332 0.000 1.175 253 D HN 0.174 nan 8.370 nan 0.000 0.440 254 V N 3.087 123.090 119.914 0.148 0.000 2.409 254 V HA 0.245 4.365 4.120 -0.001 0.000 0.290 254 V C -0.014 176.190 176.094 0.184 0.000 1.017 254 V CA -0.797 61.589 62.300 0.145 0.000 0.841 254 V CB 1.814 33.677 31.823 0.067 0.000 1.003 254 V HN 0.371 nan 8.190 nan 0.000 0.426 255 L N 6.182 127.592 121.223 0.311 0.000 2.257 255 L HA 0.629 4.969 4.340 -0.001 0.000 0.290 255 L C -0.782 176.256 176.870 0.281 0.000 1.044 255 L CA -0.332 54.736 54.840 0.380 0.000 0.810 255 L CB 1.400 43.757 42.059 0.496 0.000 1.193 255 L HN 0.452 nan 8.230 nan 0.000 0.425 256 V N 4.630 124.647 119.914 0.173 0.000 2.398 256 V HA 0.581 4.701 4.120 -0.001 0.000 0.286 256 V C 0.227 176.388 176.094 0.111 0.000 1.026 256 V CA -0.560 61.789 62.300 0.081 0.000 0.868 256 V CB 1.439 33.281 31.823 0.033 0.000 0.982 256 V HN 0.844 nan 8.190 nan 0.000 0.443 257 A N 3.077 125.943 122.820 0.076 0.000 2.293 257 A HA 0.567 4.886 4.320 -0.001 0.000 0.312 257 A C 0.979 178.588 177.584 0.043 0.000 1.309 257 A CA 0.074 52.171 52.037 0.101 0.000 0.839 257 A CB 1.023 20.122 19.000 0.165 0.000 1.155 257 A HN 1.012 nan 8.150 nan 0.000 0.501 258 S N 2.120 117.857 115.700 0.061 0.000 2.461 258 S HA 0.400 4.870 4.470 -0.001 0.000 0.228 258 S C 1.166 175.803 174.600 0.061 0.000 1.005 258 S CA 0.671 58.895 58.200 0.042 0.000 0.942 258 S CB -0.609 62.614 63.200 0.039 0.000 0.776 258 S HN 2.564 nan 8.310 nan 0.000 0.514 259 G N 1.559 110.433 108.800 0.125 0.000 2.756 259 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.678 259 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.678 259 G C -2.217 172.769 174.900 0.144 0.000 1.349 259 G CA -0.413 44.794 45.100 0.178 0.000 0.847 259 G HN 0.250 nan 8.290 nan 0.000 0.548 260 P HA 0.059 nan 4.420 nan 0.000 0.218 260 P C 1.907 179.236 177.300 0.048 0.000 1.152 260 P CA 2.102 65.238 63.100 0.059 0.000 0.826 260 P CB 0.044 31.753 31.700 0.015 0.000 0.790 261 S N -1.598 114.139 115.700 0.062 0.000 2.577 261 S HA 0.136 4.606 4.470 -0.001 0.000 0.219 261 S C 0.521 175.143 174.600 0.038 0.000 0.962 261 S CA -0.208 58.024 58.200 0.052 0.000 0.921 261 S CB -0.553 62.692 63.200 0.074 0.000 0.789 261 S HN -0.090 nan 8.310 nan 0.000 0.497 262 L N 2.880 124.123 121.223 0.033 0.000 2.294 262 L HA 0.556 4.896 4.340 -0.001 0.000 0.283 262 L C -1.156 175.722 176.870 0.013 0.000 1.015 262 L CA -0.110 54.740 54.840 0.016 0.000 0.831 262 L CB 0.981 43.044 42.059 0.006 0.000 1.217 262 L HN 0.185 nan 8.230 nan 0.000 0.420 263 D N 2.975 123.378 120.400 0.005 0.000 2.347 263 D HA 0.268 4.908 4.640 -0.001 0.000 0.235 263 D C 0.842 177.139 176.300 -0.005 0.000 1.149 263 D CA -0.223 53.778 54.000 0.002 0.000 0.850 263 D CB 1.090 41.889 40.800 -0.002 0.000 1.061 263 D HN 0.362 nan 8.370 nan 0.000 0.487 264 V N 1.368 121.280 119.914 -0.003 0.000 3.214 264 V HA 0.181 4.301 4.120 -0.001 0.000 0.330 264 V C 1.763 177.852 176.094 -0.009 0.000 1.403 264 V CA -0.004 62.291 62.300 -0.010 0.000 1.143 264 V CB 0.061 31.879 31.823 -0.009 0.000 1.098 264 V HN 0.494 nan 8.190 nan 0.000 0.463 265 S N 1.957 117.653 115.700 -0.007 0.000 2.409 265 S HA -0.145 4.324 4.470 -0.001 0.000 0.237 265 S C 1.537 176.131 174.600 -0.011 0.000 1.060 265 S CA 2.128 60.324 58.200 -0.007 0.000 1.052 265 S CB -0.627 62.569 63.200 -0.007 0.000 0.871 265 S HN 1.030 nan 8.310 nan 0.000 0.465 266 G N 0.509 109.301 108.800 -0.013 0.000 4.464 266 G HA2 0.454 4.414 3.960 -0.001 0.000 0.297 266 G HA3 0.454 4.414 3.960 -0.001 0.000 0.297 266 G C 0.371 175.260 174.900 -0.018 0.000 1.342 266 G CA -0.323 44.768 45.100 -0.015 0.000 1.335 266 G HN 0.411 nan 8.290 nan 0.000 0.609 267 L N 0.993 122.205 121.223 -0.018 0.000 2.249 267 L HA 0.524 4.863 4.340 -0.001 0.000 0.207 267 L C 1.219 178.075 176.870 -0.022 0.000 1.090 267 L CA 1.597 56.425 54.840 -0.021 0.000 0.802 267 L CB -0.303 41.745 42.059 -0.018 0.000 0.947 267 L HN 0.621 nan 8.230 nan 0.000 0.453 268 G N 0.026 108.814 108.800 -0.021 0.000 2.661 268 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.685 268 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.685 268 G C -0.692 174.194 174.900 -0.023 0.000 1.298 268 G CA -0.163 44.925 45.100 -0.021 0.000 0.855 268 G HN 0.449 nan 8.290 nan 0.000 0.560 269 E N -1.156 119.030 120.200 -0.024 0.000 2.390 269 E HA 0.516 4.865 4.350 -0.001 0.000 0.261 269 E C 0.658 177.240 176.600 -0.030 0.000 1.076 269 E CA -0.157 56.226 56.400 -0.027 0.000 0.905 269 E CB 1.115 30.799 29.700 -0.026 0.000 0.984 269 E HN 1.476 nan 8.360 nan 0.000 0.427 270 V N 1.092 120.984 119.914 -0.037 0.000 2.823 270 V HA 0.599 4.719 4.120 -0.001 0.000 0.312 270 V C -2.500 173.566 176.094 -0.047 0.000 1.072 270 V CA -2.132 60.144 62.300 -0.040 0.000 0.937 270 V CB 0.981 32.777 31.823 -0.044 0.000 1.013 270 V HN 0.664 nan 8.190 nan 0.000 0.430 271 P HA 0.264 nan 4.420 nan 0.000 0.270 271 P C 0.905 178.165 177.300 -0.066 0.000 1.221 271 P CA 0.483 63.556 63.100 -0.045 0.000 0.788 271 P CB 0.566 32.246 31.700 -0.034 0.000 0.904 272 A N 2.078 124.860 122.820 -0.064 0.000 2.015 272 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 272 A C 1.539 179.051 177.584 -0.120 0.000 1.163 272 A CA 1.518 53.503 52.037 -0.087 0.000 0.646 272 A CB -1.047 17.915 19.000 -0.063 0.000 0.806 272 A HN 0.730 nan 8.150 nan 0.000 0.448 273 N N -0.111 118.535 118.700 -0.090 0.000 2.461 273 N HA 0.030 4.770 4.740 -0.001 0.000 0.188 273 N C -0.222 175.212 175.510 -0.126 0.000 1.134 273 N CA 0.404 53.398 53.050 -0.092 0.000 0.878 273 N CB -0.199 38.271 38.487 -0.029 0.000 0.972 273 N HN 0.177 nan 8.380 nan 0.000 0.456 274 V N 1.836 121.666 119.914 -0.140 0.000 2.370 274 V HA 0.369 4.488 4.120 -0.001 0.000 0.283 274 V C -0.037 175.920 176.094 -0.228 0.000 1.023 274 V CA -0.807 61.413 62.300 -0.134 0.000 0.857 274 V CB 1.405 33.185 31.823 -0.072 0.000 0.985 274 V HN 0.121 nan 8.190 nan 0.000 0.443 275 R N 5.189 125.520 120.500 -0.281 0.000 2.360 275 R HA 0.559 4.899 4.340 -0.001 0.000 0.318 275 R C -1.062 175.181 176.300 -0.095 0.000 0.950 275 R CA -0.574 55.315 56.100 -0.352 0.000 0.837 275 R CB 1.806 31.581 30.300 -0.875 0.000 1.165 275 R HN 0.594 nan 8.270 nan 0.000 0.458 276 L N 3.562 124.747 121.223 -0.064 0.000 2.265 276 L HA 0.314 4.654 4.340 -0.001 0.000 0.288 276 L C 0.511 177.413 176.870 0.053 0.000 1.058 276 L CA -0.235 54.611 54.840 0.009 0.000 0.809 276 L CB 0.887 42.943 42.059 -0.005 0.000 1.179 276 L HN 0.280 nan 8.230 nan 0.000 0.429 277 E N 1.030 121.290 120.200 0.101 0.000 2.263 277 E HA 0.273 4.623 4.350 -0.001 0.000 0.264 277 E C 0.401 177.077 176.600 0.126 0.000 0.923 277 E CA -0.234 56.242 56.400 0.126 0.000 0.802 277 E CB 2.028 31.825 29.700 0.162 0.000 1.228 277 E HN 0.587 nan 8.360 nan 0.000 0.417 278 S N 1.087 116.875 115.700 0.147 0.000 2.388 278 S HA 0.029 4.499 4.470 -0.001 0.000 0.223 278 S C 0.635 175.407 174.600 0.286 0.000 1.034 278 S CA 0.037 58.341 58.200 0.173 0.000 0.963 278 S CB 0.505 63.794 63.200 0.150 0.000 0.827 278 S HN 0.657 nan 8.310 nan 0.000 0.481 279 W N 1.438 122.771 121.300 0.055 0.000 3.256 279 W HA 0.524 5.184 4.660 -0.001 0.000 0.324 279 W C -2.004 174.556 176.519 0.068 0.000 1.196 279 W CA -0.859 56.519 57.345 0.055 0.000 1.206 279 W CB 2.084 31.565 29.460 0.034 0.000 1.385 279 W HN 0.205 nan 8.180 nan 0.000 0.522 280 V N 1.853 121.445 119.914 -0.536 0.000 3.130 280 V HA 0.680 4.800 4.120 -0.001 0.000 0.310 280 V C -2.780 172.962 176.094 -0.585 0.000 1.158 280 V CA -2.567 59.508 62.300 -0.376 0.000 1.029 280 V CB 1.836 33.530 31.823 -0.214 0.000 1.057 280 V HN 0.386 nan 8.190 nan 0.000 0.436 281 P HA 0.291 nan 4.420 nan 0.000 0.252 281 P C 0.458 177.606 177.300 -0.253 0.000 1.727 281 P CA 0.143 63.112 63.100 -0.219 0.000 1.134 281 P CB 0.789 32.415 31.700 -0.123 0.000 1.876 282 Q N 3.044 122.665 119.800 -0.298 0.000 2.077 282 Q HA -0.252 4.087 4.340 -0.001 0.000 0.206 282 Q C 1.959 177.843 176.000 -0.195 0.000 0.989 282 Q CA 2.110 57.747 55.803 -0.277 0.000 0.853 282 Q CB -0.393 28.242 28.738 -0.171 0.000 0.907 282 Q HN 0.401 nan 8.270 nan 0.000 0.418 283 A N 0.599 123.348 122.820 -0.119 0.000 1.903 283 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 283 A C 2.230 179.749 177.584 -0.108 0.000 1.191 283 A CA 2.074 54.056 52.037 -0.091 0.000 0.638 283 A CB -1.081 17.871 19.000 -0.081 0.000 0.823 283 A HN 0.573 nan 8.150 nan 0.000 0.451 284 A N -1.263 121.485 122.820 -0.121 0.000 2.014 284 A HA 0.148 4.467 4.320 -0.001 0.000 0.218 284 A C 2.083 179.641 177.584 -0.044 0.000 1.163 284 A CA 1.512 53.498 52.037 -0.084 0.000 0.652 284 A CB -0.413 18.529 19.000 -0.096 0.000 0.808 284 A HN 0.678 nan 8.150 nan 0.000 0.449 285 L N -0.294 120.847 121.223 -0.137 0.000 2.068 285 L HA 0.045 4.384 4.340 -0.001 0.000 0.204 285 L C 2.150 178.950 176.870 -0.116 0.000 1.076 285 L CA 1.397 56.141 54.840 -0.160 0.000 0.753 285 L CB -0.479 41.342 42.059 -0.397 0.000 0.910 285 L HN 0.350 nan 8.230 nan 0.000 0.439 286 L N 0.096 121.207 121.223 -0.186 0.000 2.081 286 L HA -0.182 4.157 4.340 -0.001 0.000 0.212 286 L C -0.260 176.528 176.870 -0.136 0.000 1.080 286 L CA 1.356 56.102 54.840 -0.157 0.000 0.754 286 L CB -2.111 39.875 42.059 -0.123 0.000 0.893 286 L HN 0.304 nan 8.230 nan 0.000 0.433 287 P HA -0.125 nan 4.420 nan 0.000 0.228 287 P C 0.974 178.016 177.300 -0.431 0.000 1.151 287 P CA 1.283 64.191 63.100 -0.320 0.000 0.770 287 P CB -0.057 31.387 31.700 -0.427 0.000 0.786 288 H N -2.429 116.575 119.070 -0.109 0.000 2.549 288 H HA 0.255 4.811 4.556 -0.001 0.000 0.279 288 H C 0.325 175.601 175.328 -0.085 0.000 1.018 288 H CA -0.032 55.953 56.048 -0.105 0.000 1.175 288 H CB 0.619 30.295 29.762 -0.144 0.000 1.485 288 H HN -0.009 nan 8.280 nan 0.000 0.543 289 V N 1.524 121.438 119.914 -0.001 0.000 2.630 289 V HA 0.059 4.179 4.120 -0.001 0.000 0.305 289 V C 0.778 176.882 176.094 0.017 0.000 1.046 289 V CA -0.378 61.932 62.300 0.016 0.000 0.934 289 V CB 2.581 34.410 31.823 0.010 0.000 1.003 289 V HN 0.250 nan 8.190 nan 0.000 0.451 290 D N 1.775 122.197 120.400 0.037 0.000 2.388 290 D HA 0.187 4.827 4.640 -0.001 0.000 0.208 290 D C -0.204 176.117 176.300 0.034 0.000 1.035 290 D CA 0.556 54.575 54.000 0.031 0.000 0.875 290 D CB 1.472 42.293 40.800 0.035 0.000 0.984 290 D HN 0.218 nan 8.370 nan 0.000 0.508 291 L N 0.957 122.209 121.223 0.048 0.000 2.526 291 L HA 0.299 4.639 4.340 -0.001 0.000 0.263 291 L C -1.629 175.281 176.870 0.066 0.000 0.943 291 L CA -0.716 54.147 54.840 0.038 0.000 0.859 291 L CB 2.319 44.391 42.059 0.022 0.000 1.313 291 L HN -0.362 nan 8.230 nan 0.000 0.406 292 V N 5.451 125.397 119.914 0.053 0.000 2.370 292 V HA 0.579 4.699 4.120 -0.001 0.000 0.283 292 V C -0.374 175.739 176.094 0.031 0.000 1.023 292 V CA -0.617 61.722 62.300 0.065 0.000 0.857 292 V CB 1.600 33.441 31.823 0.031 0.000 0.985 292 V HN 0.525 nan 8.190 nan 0.000 0.443 293 V N 6.311 126.209 119.914 -0.027 0.000 2.384 293 V HA 0.669 4.789 4.120 -0.001 0.000 0.287 293 V C -0.231 175.803 176.094 -0.100 0.000 1.020 293 V CA -0.362 61.868 62.300 -0.117 0.000 0.850 293 V CB 1.123 32.873 31.823 -0.120 0.000 0.987 293 V HN 1.208 nan 8.190 nan 0.000 0.436 294 H N 1.555 120.385 119.070 -0.400 0.000 2.905 294 H HA 0.485 5.041 4.556 -0.001 0.000 0.280 294 H C 0.345 175.561 175.328 -0.186 0.000 1.445 294 H CA -0.614 55.316 56.048 -0.197 0.000 1.165 294 H CB 0.912 30.624 29.762 -0.084 0.000 1.857 294 H HN 0.493 nan 8.280 nan 0.000 0.567 295 H N -0.803 118.150 119.070 -0.195 0.000 2.551 295 H HA 0.276 4.831 4.556 -0.001 0.000 0.266 295 H C 1.094 176.267 175.328 -0.259 0.000 0.964 295 H CA 0.459 56.431 56.048 -0.125 0.000 1.180 295 H CB 0.243 30.035 29.762 0.049 0.000 1.408 295 H HN 1.185 nan 8.280 nan 0.000 0.563 296 G N 0.307 108.498 108.800 -1.014 0.000 2.138 296 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.193 296 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.193 296 G C 0.664 175.312 174.900 -0.421 0.000 0.998 296 G CA 0.004 44.682 45.100 -0.703 0.000 0.668 296 G HN 0.828 nan 8.290 nan 0.000 0.516 297 G N 0.066 108.451 108.800 -0.692 0.000 2.614 297 G HA2 0.462 4.421 3.960 -0.001 0.000 0.239 297 G HA3 0.462 4.421 3.960 -0.001 0.000 0.239 297 G C 1.165 176.061 174.900 -0.008 0.000 1.240 297 G CA 0.807 45.765 45.100 -0.237 0.000 0.842 297 G HN 0.617 nan 8.290 nan 0.000 0.584 298 S N 1.143 116.863 115.700 0.033 0.000 2.368 298 S HA -0.102 4.367 4.470 -0.001 0.000 0.224 298 S C 2.620 177.284 174.600 0.107 0.000 1.029 298 S CA 1.314 59.567 58.200 0.088 0.000 0.988 298 S CB -0.419 62.825 63.200 0.073 0.000 0.838 298 S HN 0.844 nan 8.310 nan 0.000 0.462 299 G N 1.328 110.189 108.800 0.102 0.000 2.421 299 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 299 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 299 G C 1.450 176.395 174.900 0.075 0.000 1.171 299 G CA 1.557 46.730 45.100 0.121 0.000 0.775 299 G HN 0.495 nan 8.290 nan 0.000 0.543 300 T N 0.729 115.302 114.554 0.031 0.000 2.857 300 T HA -0.048 4.301 4.350 -0.001 0.000 0.266 300 T C 2.659 177.233 174.700 -0.210 0.000 1.048 300 T CA 1.588 63.615 62.100 -0.122 0.000 1.139 300 T CB -0.403 68.329 68.868 -0.226 0.000 0.874 300 T HN 0.268 nan 8.240 nan 0.000 0.455 301 T N 2.633 117.159 114.554 -0.046 0.000 2.684 301 T HA -0.001 4.349 4.350 -0.001 0.000 0.267 301 T C 1.934 176.641 174.700 0.011 0.000 1.036 301 T CA 1.027 63.159 62.100 0.053 0.000 1.148 301 T CB -0.455 68.511 68.868 0.163 0.000 0.863 301 T HN 0.243 nan 8.240 nan 0.000 0.436 302 L N 0.433 121.673 121.223 0.029 0.000 2.156 302 L HA 0.072 4.411 4.340 -0.001 0.000 0.208 302 L C 2.974 179.837 176.870 -0.012 0.000 1.095 302 L CA 1.024 55.862 54.840 -0.003 0.000 0.770 302 L CB -0.825 41.260 42.059 0.043 0.000 0.914 302 L HN 0.360 nan 8.230 nan 0.000 0.439 303 G N -0.286 108.511 108.800 -0.004 0.000 2.421 303 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.216 303 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.216 303 G C 1.772 176.648 174.900 -0.039 0.000 1.171 303 G CA 0.798 45.889 45.100 -0.015 0.000 0.775 303 G HN 0.445 nan 8.290 nan 0.000 0.543 304 A N 0.594 123.380 122.820 -0.056 0.000 1.877 304 A HA 0.105 4.424 4.320 -0.001 0.000 0.216 304 A C 2.456 180.021 177.584 -0.031 0.000 1.186 304 A CA 1.293 53.302 52.037 -0.047 0.000 0.620 304 A CB -0.464 18.500 19.000 -0.059 0.000 0.822 304 A HN 0.342 nan 8.150 nan 0.000 0.443 305 L N -0.607 120.596 121.223 -0.033 0.000 2.042 305 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 305 L C 2.805 179.649 176.870 -0.043 0.000 1.076 305 L CA 1.196 56.012 54.840 -0.039 0.000 0.749 305 L CB -0.808 41.207 42.059 -0.073 0.000 0.893 305 L HN 0.498 nan 8.230 nan 0.000 0.432 306 G N -0.691 108.083 108.800 -0.043 0.000 2.432 306 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.219 306 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.219 306 G C 1.533 176.410 174.900 -0.038 0.000 1.135 306 G CA 0.704 45.782 45.100 -0.037 0.000 0.767 306 G HN 0.477 nan 8.290 nan 0.000 0.550 307 A N -0.370 122.424 122.820 -0.043 0.000 2.275 307 A HA 0.490 4.809 4.320 -0.001 0.000 0.212 307 A C 1.923 179.479 177.584 -0.046 0.000 1.201 307 A CA 1.163 53.167 52.037 -0.055 0.000 0.843 307 A CB -0.356 18.603 19.000 -0.069 0.000 0.873 307 A HN 1.531 nan 8.150 nan 0.000 0.492 308 G N -0.842 107.939 108.800 -0.031 0.000 2.198 308 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.260 308 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.260 308 G C 0.011 174.907 174.900 -0.007 0.000 1.025 308 G CA 0.319 45.408 45.100 -0.018 0.000 0.769 308 G HN 0.843 nan 8.290 nan 0.000 0.507 309 V N 0.899 120.808 119.914 -0.007 0.000 2.398 309 V HA 0.466 4.585 4.120 -0.001 0.000 0.286 309 V C -1.517 174.592 176.094 0.025 0.000 1.026 309 V CA -1.877 60.427 62.300 0.006 0.000 0.868 309 V CB 1.813 33.633 31.823 -0.005 0.000 0.982 309 V HN 0.107 nan 8.190 nan 0.000 0.443 310 P HA 0.156 nan 4.420 nan 0.000 0.267 310 P C -0.912 176.402 177.300 0.022 0.000 1.200 310 P CA -0.034 63.098 63.100 0.053 0.000 0.772 310 P CB 0.281 32.014 31.700 0.055 0.000 0.855 311 Q N 1.250 121.064 119.800 0.022 0.000 2.389 311 Q HA 0.702 5.041 4.340 -0.001 0.000 0.277 311 Q C -1.829 174.159 176.000 -0.020 0.000 1.082 311 Q CA -1.212 54.611 55.803 0.034 0.000 0.810 311 Q CB 1.684 30.488 28.738 0.110 0.000 1.374 311 Q HN 0.193 nan 8.270 nan 0.000 0.422 312 L N 2.051 123.233 121.223 -0.068 0.000 2.325 312 L HA 0.650 4.989 4.340 -0.001 0.000 0.281 312 L C -1.104 175.542 176.870 -0.373 0.000 1.004 312 L CA 0.026 54.759 54.840 -0.179 0.000 0.823 312 L CB 1.988 43.934 42.059 -0.188 0.000 1.236 312 L HN 0.889 nan 8.230 nan 0.000 0.415 313 S N 3.181 118.650 115.700 -0.384 0.000 2.607 313 S HA 0.728 5.197 4.470 -0.001 0.000 0.303 313 S C -0.760 173.592 174.600 -0.413 0.000 1.086 313 S CA -0.563 57.257 58.200 -0.633 0.000 0.995 313 S CB 1.320 64.154 63.200 -0.609 0.000 1.084 313 S HN 0.335 nan 8.310 nan 0.000 0.507 314 F N 1.875 121.729 119.950 -0.160 0.000 2.389 314 F HA 0.430 4.957 4.527 -0.001 0.000 0.327 314 F C -2.424 173.308 175.800 -0.113 0.000 1.204 314 F CA -2.905 55.051 58.000 -0.072 0.000 1.209 314 F CB 0.478 39.452 39.000 -0.045 0.000 1.460 314 F HN 0.310 nan 8.300 nan 0.000 0.537 315 P HA -0.042 nan 4.420 nan 0.000 0.271 315 P C 0.176 177.135 177.300 -0.569 0.000 1.226 315 P CA 0.262 63.031 63.100 -0.552 0.000 0.765 315 P CB 1.457 32.622 31.700 -0.893 0.000 0.835 316 W N 3.743 124.678 121.300 -0.609 0.000 5.014 316 W HA 0.406 5.066 4.660 -0.000 0.000 0.183 316 W C -1.198 175.414 176.519 0.155 0.000 1.511 316 W CA 0.334 57.628 57.345 -0.084 0.000 2.181 316 W CB 0.305 29.789 29.460 0.041 0.000 0.906 316 W HN 0.306 nan 8.180 nan 0.000 0.985 317 A N 1.606 124.375 122.820 -0.085 0.000 2.311 317 A HA 0.667 4.987 4.320 -0.001 0.000 0.334 317 A C 0.666 178.270 177.584 0.034 0.000 1.139 317 A CA 0.731 52.708 52.037 -0.100 0.000 0.830 317 A CB 0.578 19.602 19.000 0.041 0.000 1.234 317 A HN 1.201 nan 8.150 nan 0.000 0.483 318 G N 1.268 110.085 108.800 0.027 0.000 2.591 318 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.298 318 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.298 318 G C 0.276 175.191 174.900 0.024 0.000 1.195 318 G CA 1.025 46.133 45.100 0.013 0.000 0.989 318 G HN 1.530 nan 8.290 nan 0.000 0.551 319 D N 0.879 121.274 120.400 -0.008 0.000 2.358 319 D HA 0.241 4.881 4.640 -0.001 0.000 0.224 319 D C 2.120 178.392 176.300 -0.046 0.000 1.123 319 D CA 1.281 55.266 54.000 -0.024 0.000 0.833 319 D CB -0.240 40.520 40.800 -0.066 0.000 0.946 319 D HN 0.757 nan 8.370 nan 0.000 0.505 320 S N -0.164 115.479 115.700 -0.095 0.000 2.399 320 S HA -0.157 4.313 4.470 -0.001 0.000 0.231 320 S C 1.698 176.117 174.600 -0.303 0.000 1.022 320 S CA 0.331 58.384 58.200 -0.245 0.000 0.983 320 S CB -0.889 62.102 63.200 -0.349 0.000 0.803 320 S HN 0.199 nan 8.310 nan 0.000 0.480 321 F N 2.530 122.430 119.950 -0.083 0.000 2.163 321 F HA 0.239 4.766 4.527 -0.001 0.000 0.297 321 F C 2.906 178.633 175.800 -0.120 0.000 1.094 321 F CA 0.545 58.477 58.000 -0.113 0.000 1.290 321 F CB -0.970 37.976 39.000 -0.089 0.000 1.017 321 F HN 0.290 nan 8.300 nan 0.000 0.483 322 A N 0.421 123.281 122.820 0.067 0.000 1.940 322 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 322 A C 2.104 179.668 177.584 -0.033 0.000 1.176 322 A CA 1.966 53.989 52.037 -0.023 0.000 0.631 322 A CB -0.737 18.208 19.000 -0.092 0.000 0.814 322 A HN 0.344 nan 8.150 nan 0.000 0.446 323 N N 0.387 119.067 118.700 -0.033 0.000 2.142 323 N HA -0.073 4.666 4.740 -0.001 0.000 0.186 323 N C 1.951 177.472 175.510 0.018 0.000 1.023 323 N CA 1.520 54.593 53.050 0.039 0.000 0.852 323 N CB -0.639 37.866 38.487 0.031 0.000 0.998 323 N HN 0.449 nan 8.380 nan 0.000 0.424 324 A N 1.195 123.958 122.820 -0.095 0.000 1.908 324 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 324 A C 2.190 179.721 177.584 -0.089 0.000 1.181 324 A CA 1.484 53.420 52.037 -0.169 0.000 0.627 324 A CB -0.722 17.990 19.000 -0.479 0.000 0.818 324 A HN 0.349 nan 8.150 nan 0.000 0.445 325 Q N -0.898 118.866 119.800 -0.061 0.000 2.050 325 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 325 Q C 2.328 178.371 176.000 0.072 0.000 0.980 325 Q CA 1.532 57.343 55.803 0.012 0.000 0.840 325 Q CB -0.308 28.439 28.738 0.015 0.000 0.898 325 Q HN 0.663 nan 8.270 nan 0.000 0.424 326 A N -0.330 122.551 122.820 0.103 0.000 1.898 326 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 326 A C 2.184 179.854 177.584 0.143 0.000 1.181 326 A CA 1.348 53.489 52.037 0.174 0.000 0.620 326 A CB -0.616 18.600 19.000 0.360 0.000 0.819 326 A HN 0.287 nan 8.150 nan 0.000 0.442 327 V N -0.138 119.853 119.914 0.128 0.000 2.343 327 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 327 V C 3.062 179.236 176.094 0.134 0.000 1.051 327 V CA 1.887 64.258 62.300 0.118 0.000 1.036 327 V CB -1.182 30.709 31.823 0.113 0.000 0.654 327 V HN 0.616 nan 8.190 nan 0.000 0.451 328 A N -0.668 122.242 122.820 0.151 0.000 1.883 328 A HA -0.335 3.985 4.320 -0.001 0.000 0.217 328 A C 2.263 179.920 177.584 0.122 0.000 1.186 328 A CA 2.238 54.378 52.037 0.172 0.000 0.624 328 A CB -0.650 18.477 19.000 0.213 0.000 0.822 328 A HN 0.609 nan 8.150 nan 0.000 0.444 329 Q N -0.498 119.364 119.800 0.104 0.000 2.112 329 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 329 Q C 1.971 178.011 176.000 0.066 0.000 0.987 329 Q CA 1.924 57.775 55.803 0.080 0.000 0.858 329 Q CB -0.342 28.445 28.738 0.083 0.000 0.905 329 Q HN 0.602 nan 8.270 nan 0.000 0.420 330 A N -0.289 122.573 122.820 0.070 0.000 2.206 330 A HA 0.212 4.531 4.320 -0.001 0.000 0.211 330 A C 1.456 179.066 177.584 0.043 0.000 1.158 330 A CA 0.859 52.925 52.037 0.048 0.000 0.761 330 A CB -0.599 18.426 19.000 0.041 0.000 0.801 330 A HN 0.682 nan 8.150 nan 0.000 0.473 331 G N -1.723 107.114 108.800 0.062 0.000 2.249 331 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.273 331 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.273 331 G C 0.719 175.681 174.900 0.104 0.000 1.036 331 G CA 0.510 45.637 45.100 0.045 0.000 0.824 331 G HN 1.515 nan 8.290 nan 0.000 0.504 332 A N -0.977 121.937 122.820 0.156 0.000 2.387 332 A HA 0.746 5.065 4.320 -0.001 0.000 0.234 332 A C 1.420 179.138 177.584 0.223 0.000 1.253 332 A CA 1.158 53.297 52.037 0.168 0.000 0.894 332 A CB 0.219 19.273 19.000 0.090 0.000 0.963 332 A HN 2.246 nan 8.150 nan 0.000 0.508 333 G N -1.375 107.609 108.800 0.307 0.000 2.323 333 G HA2 0.428 4.388 3.960 -0.001 0.000 0.291 333 G HA3 0.428 4.388 3.960 -0.001 0.000 0.291 333 G C -2.239 172.735 174.900 0.123 0.000 1.278 333 G CA 0.152 45.330 45.100 0.129 0.000 0.860 333 G HN 0.131 nan 8.290 nan 0.000 0.504 334 D N -1.431 118.978 120.400 0.015 0.000 2.677 334 D HA 0.571 5.210 4.640 -0.001 0.000 0.298 334 D C -1.066 175.274 176.300 0.067 0.000 1.250 334 D CA -0.238 53.784 54.000 0.036 0.000 0.888 334 D CB 1.706 42.446 40.800 -0.101 0.000 1.397 334 D HN 0.737 nan 8.370 nan 0.000 0.461 335 H N -0.915 118.155 119.070 0.000 0.000 3.008 335 H HA 0.608 5.163 4.556 -0.001 0.000 0.354 335 H C -1.239 174.140 175.328 0.085 0.000 1.252 335 H CA -0.862 55.189 56.048 0.006 0.000 1.117 335 H CB 0.739 30.501 29.762 0.001 0.000 1.857 335 H HN 0.234 nan 8.280 nan 0.000 0.547 336 L N 2.246 123.623 121.223 0.257 0.000 2.356 336 L HA 0.366 4.705 4.340 -0.001 0.000 0.277 336 L C 0.113 177.155 176.870 0.286 0.000 0.996 336 L CA -0.817 54.160 54.840 0.228 0.000 0.822 336 L CB 2.098 44.305 42.059 0.246 0.000 1.256 336 L HN 0.339 nan 8.230 nan 0.000 0.413 337 L N 3.700 125.069 121.223 0.243 0.000 2.464 337 L HA 0.164 4.504 4.340 -0.001 0.000 0.264 337 L C -1.285 175.700 176.870 0.192 0.000 1.199 337 L CA -1.408 53.594 54.840 0.270 0.000 0.818 337 L CB 0.304 42.511 42.059 0.247 0.000 1.102 337 L HN 0.396 nan 8.230 nan 0.000 0.473 338 P HA -0.166 nan 4.420 nan 0.000 0.221 338 P C 0.592 177.936 177.300 0.073 0.000 1.145 338 P CA 1.085 64.288 63.100 0.173 0.000 0.795 338 P CB 0.003 31.921 31.700 0.362 0.000 0.775 339 D N -2.359 118.095 120.400 0.090 0.000 2.348 339 D HA -0.055 4.585 4.640 -0.001 0.000 0.211 339 D C 0.885 177.193 176.300 0.013 0.000 0.998 339 D CA 0.594 54.622 54.000 0.047 0.000 0.873 339 D CB -0.980 39.857 40.800 0.062 0.000 0.925 339 D HN 0.064 nan 8.370 nan 0.000 0.524 340 N N 0.207 118.914 118.700 0.013 0.000 2.467 340 N HA 0.181 4.921 4.740 -0.001 0.000 0.278 340 N C -1.017 174.461 175.510 -0.052 0.000 1.306 340 N CA -0.348 52.700 53.050 -0.005 0.000 0.905 340 N CB -0.156 38.346 38.487 0.026 0.000 1.236 340 N HN 0.105 nan 8.380 nan 0.000 0.509 341 I N 1.325 121.823 120.570 -0.120 0.000 2.313 341 I HA 0.223 4.392 4.170 -0.001 0.000 0.286 341 I C -0.149 175.856 176.117 -0.186 0.000 1.091 341 I CA -0.443 60.711 61.300 -0.244 0.000 1.216 341 I CB 0.320 38.052 38.000 -0.445 0.000 1.434 341 I HN 0.135 nan 8.210 nan 0.000 0.487 342 S N 4.586 120.211 115.700 -0.125 0.000 2.599 342 S HA 0.568 5.037 4.470 -0.001 0.000 0.294 342 S C -2.258 172.302 174.600 -0.068 0.000 1.094 342 S CA -1.569 56.578 58.200 -0.088 0.000 0.931 342 S CB 2.216 65.384 63.200 -0.054 0.000 1.093 342 S HN 0.109 nan 8.310 nan 0.000 0.488 343 P HA -0.129 nan 4.420 nan 0.000 0.216 343 P C 0.682 177.973 177.300 -0.015 0.000 1.150 343 P CA 1.343 64.425 63.100 -0.030 0.000 0.843 343 P CB 0.009 31.693 31.700 -0.027 0.000 0.787 344 D N -1.067 119.323 120.400 -0.017 0.000 2.117 344 D HA -0.107 4.533 4.640 -0.001 0.000 0.198 344 D C 2.137 178.435 176.300 -0.002 0.000 0.982 344 D CA 1.800 55.795 54.000 -0.008 0.000 0.828 344 D CB -0.504 40.290 40.800 -0.009 0.000 0.967 344 D HN 0.244 nan 8.370 nan 0.000 0.464 345 S N 0.312 116.007 115.700 -0.007 0.000 2.368 345 S HA -0.091 4.378 4.470 -0.001 0.000 0.224 345 S C 2.311 176.927 174.600 0.027 0.000 1.029 345 S CA 0.750 58.953 58.200 0.004 0.000 0.988 345 S CB -0.678 62.519 63.200 -0.005 0.000 0.838 345 S HN 0.049 nan 8.310 nan 0.000 0.462 346 V N 1.965 121.899 119.914 0.034 0.000 2.295 346 V HA -0.155 3.965 4.120 -0.001 0.000 0.246 346 V C 3.039 179.167 176.094 0.057 0.000 1.049 346 V CA 2.044 64.398 62.300 0.089 0.000 1.024 346 V CB -1.256 30.629 31.823 0.103 0.000 0.648 346 V HN 0.684 nan 8.190 nan 0.000 0.447 347 S N 0.347 116.066 115.700 0.031 0.000 2.359 347 S HA -0.169 4.300 4.470 -0.001 0.000 0.224 347 S C 2.073 176.682 174.600 0.015 0.000 1.035 347 S CA 1.999 60.212 58.200 0.021 0.000 1.018 347 S CB -0.712 62.496 63.200 0.013 0.000 0.876 347 S HN 0.646 nan 8.310 nan 0.000 0.448 348 G N 0.586 109.393 108.800 0.012 0.000 2.418 348 G HA2 0.011 3.971 3.960 -0.001 0.000 0.217 348 G HA3 0.011 3.971 3.960 -0.001 0.000 0.217 348 G C 1.704 176.602 174.900 -0.003 0.000 1.158 348 G CA 0.966 46.070 45.100 0.007 0.000 0.771 348 G HN 0.708 nan 8.290 nan 0.000 0.545 349 A N 1.284 124.101 122.820 -0.004 0.000 1.877 349 A HA 0.242 4.561 4.320 -0.001 0.000 0.216 349 A C 2.846 180.390 177.584 -0.066 0.000 1.186 349 A CA 2.414 54.429 52.037 -0.036 0.000 0.620 349 A CB -0.935 18.057 19.000 -0.014 0.000 0.822 349 A HN 0.816 nan 8.150 nan 0.000 0.443 350 A N -0.326 122.476 122.820 -0.030 0.000 1.908 350 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 350 A C 2.123 179.688 177.584 -0.031 0.000 1.181 350 A CA 1.946 53.962 52.037 -0.034 0.000 0.627 350 A CB -0.490 18.512 19.000 0.003 0.000 0.818 350 A HN 0.544 nan 8.150 nan 0.000 0.445 351 K N -0.981 119.412 120.400 -0.011 0.000 2.063 351 K HA -0.179 4.141 4.320 -0.001 0.000 0.208 351 K C 2.394 178.995 176.600 0.001 0.000 1.048 351 K CA 1.666 57.954 56.287 0.001 0.000 0.928 351 K CB -0.169 32.337 32.500 0.010 0.000 0.713 351 K HN 0.451 nan 8.250 nan 0.000 0.442 352 R N 0.997 121.489 120.500 -0.014 0.000 2.073 352 R HA -0.078 4.262 4.340 -0.001 0.000 0.234 352 R C 2.214 178.497 176.300 -0.029 0.000 1.134 352 R CA 1.217 57.320 56.100 0.005 0.000 0.952 352 R CB -0.214 30.082 30.300 -0.007 0.000 0.850 352 R HN 0.120 nan 8.270 nan 0.000 0.433 353 L N 0.390 121.494 121.223 -0.198 0.000 2.191 353 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 353 L C 2.165 179.009 176.870 -0.044 0.000 1.103 353 L CA 0.977 55.623 54.840 -0.324 0.000 0.769 353 L CB -0.206 41.636 42.059 -0.361 0.000 0.908 353 L HN 0.305 nan 8.230 nan 0.000 0.438 354 L N -1.154 120.063 121.223 -0.009 0.000 2.162 354 L HA -0.010 4.330 4.340 -0.001 0.000 0.205 354 L C 2.700 179.604 176.870 0.056 0.000 1.086 354 L CA 0.764 55.622 54.840 0.029 0.000 0.778 354 L CB -0.420 41.651 42.059 0.021 0.000 0.928 354 L HN 0.159 nan 8.230 nan 0.000 0.446 355 A N -0.490 122.367 122.820 0.062 0.000 1.935 355 A HA -0.020 4.300 4.320 -0.001 0.000 0.214 355 A C 0.891 178.529 177.584 0.090 0.000 1.178 355 A CA 0.399 52.475 52.037 0.065 0.000 0.640 355 A CB -0.153 18.879 19.000 0.054 0.000 0.825 355 A HN 0.312 nan 8.150 nan 0.000 0.447 356 E N 1.291 121.581 120.200 0.150 0.000 2.152 356 E HA 0.107 4.457 4.350 -0.001 0.000 0.285 356 E C 0.316 177.004 176.600 0.147 0.000 1.043 356 E CA -0.181 56.312 56.400 0.157 0.000 0.839 356 E CB 0.664 30.500 29.700 0.228 0.000 1.069 356 E HN 0.564 nan 8.360 nan 0.000 0.399 357 E N 2.362 122.599 120.200 0.062 0.000 2.409 357 E HA -0.175 4.175 4.350 -0.001 0.000 0.198 357 E C 1.402 178.006 176.600 0.007 0.000 1.024 357 E CA 0.937 57.362 56.400 0.042 0.000 0.861 357 E CB -0.063 29.649 29.700 0.020 0.000 0.788 357 E HN 0.415 nan 8.360 nan 0.000 0.521 358 S N 0.025 115.684 115.700 -0.069 0.000 2.423 358 S HA -0.142 4.328 4.470 -0.001 0.000 0.231 358 S C 1.786 176.270 174.600 -0.192 0.000 1.014 358 S CA 0.402 58.500 58.200 -0.170 0.000 0.965 358 S CB -0.639 62.391 63.200 -0.284 0.000 0.785 358 S HN 0.264 nan 8.310 nan 0.000 0.495 359 Y N 1.802 122.109 120.300 0.011 0.000 2.184 359 Y HA 0.169 4.718 4.550 -0.001 0.000 0.290 359 Y C 2.899 178.804 175.900 0.009 0.000 1.129 359 Y CA 1.131 59.239 58.100 0.013 0.000 1.144 359 Y CB -0.479 37.990 38.460 0.016 0.000 0.995 359 Y HN 0.190 nan 8.280 nan 0.000 0.513 360 R N 0.356 120.949 120.500 0.156 0.000 2.096 360 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 360 R C 2.344 178.669 176.300 0.042 0.000 1.127 360 R CA 1.168 57.317 56.100 0.082 0.000 0.968 360 R CB -0.415 29.922 30.300 0.061 0.000 0.861 360 R HN 0.335 nan 8.270 nan 0.000 0.440 361 A N 0.243 123.076 122.820 0.021 0.000 1.865 361 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 361 A C 2.360 179.944 177.584 -0.001 0.000 1.191 361 A CA 1.852 53.888 52.037 -0.002 0.000 0.623 361 A CB -1.449 17.538 19.000 -0.022 0.000 0.826 361 A HN 0.570 nan 8.150 nan 0.000 0.444 362 G N -0.584 108.215 108.800 -0.003 0.000 2.446 362 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.217 362 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.217 362 G C 1.774 176.687 174.900 0.021 0.000 1.168 362 G CA 1.756 46.859 45.100 0.006 0.000 0.771 362 G HN 0.880 nan 8.290 nan 0.000 0.551 363 A N 0.720 123.564 122.820 0.040 0.000 1.902 363 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 363 A C 2.455 180.042 177.584 0.005 0.000 1.181 363 A CA 1.644 53.698 52.037 0.028 0.000 0.623 363 A CB -0.369 18.656 19.000 0.041 0.000 0.818 363 A HN 0.380 nan 8.150 nan 0.000 0.443 364 R N -0.512 119.991 120.500 0.005 0.000 2.115 364 R HA -0.009 4.331 4.340 -0.001 0.000 0.230 364 R C 2.421 178.715 176.300 -0.010 0.000 1.111 364 R CA 0.968 57.065 56.100 -0.006 0.000 0.976 364 R CB -0.430 29.867 30.300 -0.005 0.000 0.870 364 R HN 0.514 nan 8.270 nan 0.000 0.445 365 A N 0.860 123.675 122.820 -0.007 0.000 1.902 365 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 365 A C 2.329 179.904 177.584 -0.015 0.000 1.181 365 A CA 1.474 53.505 52.037 -0.010 0.000 0.623 365 A CB -0.493 18.503 19.000 -0.007 0.000 0.818 365 A HN 0.111 nan 8.150 nan 0.000 0.443 366 V N -0.137 119.765 119.914 -0.019 0.000 2.427 366 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 366 V C 3.018 179.088 176.094 -0.040 0.000 1.051 366 V CA 1.703 63.981 62.300 -0.037 0.000 1.048 366 V CB -1.359 30.433 31.823 -0.052 0.000 0.666 366 V HN 0.607 nan 8.190 nan 0.000 0.456 367 A N 0.359 123.160 122.820 -0.031 0.000 1.908 367 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 367 A C 2.442 180.012 177.584 -0.024 0.000 1.181 367 A CA 2.309 54.328 52.037 -0.030 0.000 0.627 367 A CB -0.791 18.193 19.000 -0.027 0.000 0.818 367 A HN 0.582 nan 8.150 nan 0.000 0.445 368 A N -0.512 122.297 122.820 -0.019 0.000 1.902 368 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 368 A C 2.044 179.621 177.584 -0.011 0.000 1.181 368 A CA 1.803 53.832 52.037 -0.013 0.000 0.623 368 A CB -0.567 18.426 19.000 -0.011 0.000 0.818 368 A HN 0.679 nan 8.150 nan 0.000 0.443 369 E N -0.303 119.888 120.200 -0.015 0.000 2.110 369 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 369 E C 1.832 178.424 176.600 -0.013 0.000 0.988 369 E CA 1.267 57.659 56.400 -0.013 0.000 0.804 369 E CB -0.211 29.477 29.700 -0.019 0.000 0.745 369 E HN 0.668 nan 8.360 nan 0.000 0.458 370 I N 0.712 121.267 120.570 -0.024 0.000 2.252 370 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 370 I C 2.492 178.609 176.117 -0.001 0.000 1.102 370 I CA 0.948 62.236 61.300 -0.019 0.000 1.385 370 I CB -0.219 37.761 38.000 -0.034 0.000 1.064 370 I HN 0.178 nan 8.210 nan 0.000 0.414 371 A N 0.770 123.588 122.820 -0.004 0.000 1.972 371 A HA 0.061 4.381 4.320 -0.001 0.000 0.219 371 A C 1.649 179.239 177.584 0.009 0.000 1.169 371 A CA 1.281 53.319 52.037 0.002 0.000 0.635 371 A CB -0.667 18.330 19.000 -0.004 0.000 0.810 371 A HN 0.372 nan 8.150 nan 0.000 0.446 375 G N 1.823 110.658 108.800 0.060 0.000 2.537 375 G HA2 0.447 4.407 3.960 -0.001 0.000 0.273 375 G HA3 0.447 4.407 3.960 -0.001 0.000 0.273 375 G C -1.742 173.206 174.900 0.081 0.000 1.189 375 G CA -1.234 43.906 45.100 0.067 0.000 0.881 375 G HN 0.239 nan 8.290 nan 0.000 0.535 376 P HA -0.129 nan 4.420 nan 0.000 0.216 376 P C 1.173 178.533 177.300 0.100 0.000 1.154 376 P CA 1.231 64.401 63.100 0.117 0.000 0.865 376 P CB 0.251 32.029 31.700 0.130 0.000 0.789 377 D N -0.955 119.492 120.400 0.078 0.000 2.178 377 D HA -0.178 4.462 4.640 -0.001 0.000 0.201 377 D C 1.950 178.280 176.300 0.049 0.000 0.980 377 D CA 1.037 55.073 54.000 0.061 0.000 0.842 377 D CB -0.426 40.401 40.800 0.046 0.000 0.948 377 D HN 0.382 nan 8.370 nan 0.000 0.472 378 E N 0.368 120.596 120.200 0.047 0.000 2.072 378 E HA -0.103 4.247 4.350 -0.001 0.000 0.190 378 E C 2.031 178.650 176.600 0.033 0.000 0.982 378 E CA 0.553 56.973 56.400 0.034 0.000 0.803 378 E CB 0.250 29.971 29.700 0.036 0.000 0.755 378 E HN -0.015 nan 8.360 nan 0.000 0.453 379 V N 0.925 120.873 119.914 0.056 0.000 2.427 379 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 379 V C 2.402 178.527 176.094 0.052 0.000 1.051 379 V CA 1.311 63.646 62.300 0.059 0.000 1.048 379 V CB -0.120 31.762 31.823 0.098 0.000 0.666 379 V HN 0.247 nan 8.190 nan 0.000 0.456 380 V N 0.360 120.323 119.914 0.082 0.000 2.568 380 V HA -0.244 3.876 4.120 -0.001 0.000 0.253 380 V C 2.582 178.707 176.094 0.052 0.000 1.072 380 V CA 1.870 64.232 62.300 0.104 0.000 1.084 380 V CB -0.613 31.296 31.823 0.143 0.000 0.676 380 V HN 0.512 nan 8.190 nan 0.000 0.469 381 R N -0.600 119.904 120.500 0.007 0.000 2.293 381 R HA -0.053 4.287 4.340 -0.001 0.000 0.219 381 R C 1.867 178.090 176.300 -0.127 0.000 1.091 381 R CA 1.084 57.164 56.100 -0.033 0.000 1.004 381 R CB -0.250 30.030 30.300 -0.034 0.000 0.865 381 R HN 0.479 nan 8.270 nan 0.000 0.469 382 L N 0.131 121.222 121.223 -0.220 0.000 2.509 382 L HA -0.000 4.339 4.340 -0.001 0.000 0.222 382 L C 1.984 178.453 176.870 -0.667 0.000 1.123 382 L CA 0.191 54.705 54.840 -0.544 0.000 0.856 382 L CB -0.194 41.385 42.059 -0.800 0.000 0.985 382 L HN 0.156 nan 8.230 nan 0.000 0.456 383 L N 0.353 121.425 121.223 -0.252 0.000 2.012 383 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 383 L C -0.064 176.728 176.870 -0.131 0.000 1.073 383 L CA 1.624 56.414 54.840 -0.084 0.000 0.748 383 L CB -1.959 40.079 42.059 -0.035 0.000 0.891 383 L HN 0.236 nan 8.230 nan 0.000 0.431 384 P HA -0.157 nan 4.420 nan 0.000 0.215 384 P C 1.636 178.870 177.300 -0.110 0.000 1.157 384 P CA 1.842 64.883 63.100 -0.099 0.000 0.874 384 P CB -0.235 31.429 31.700 -0.060 0.000 0.790 385 G N -0.968 107.711 108.800 -0.202 0.000 2.446 385 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 385 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 385 G C 1.176 176.020 174.900 -0.094 0.000 1.168 385 G CA 0.577 45.558 45.100 -0.197 0.000 0.771 385 G HN 0.118 nan 8.290 nan 0.000 0.551 386 F N 1.704 121.608 119.950 -0.078 0.000 2.202 386 F HA 0.061 4.588 4.527 -0.001 0.000 0.301 386 F C 2.898 178.655 175.800 -0.071 0.000 1.082 386 F CA 0.342 58.295 58.000 -0.078 0.000 1.313 386 F CB -0.702 38.234 39.000 -0.108 0.000 1.024 386 F HN 0.263 nan 8.300 nan 0.000 0.495 387 A N -1.186 121.688 122.820 0.091 0.000 2.208 387 A HA 0.109 4.429 4.320 -0.001 0.000 0.209 387 A C 1.629 179.220 177.584 0.011 0.000 1.161 387 A CA 0.223 52.273 52.037 0.022 0.000 0.782 387 A CB -0.572 18.411 19.000 -0.028 0.000 0.816 387 A HN 0.200 nan 8.150 nan 0.000 0.477 388 S N 0.000 115.709 115.700 0.015 0.000 2.498 388 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 388 S CA 0.000 58.205 58.200 0.008 0.000 1.107 388 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 388 S HN 0.000 nan 8.310 nan 0.000 0.517