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 3o0d_1_F DATA FIRST_RESID 1 DATA SEQUENCE VYTSTETSHI DQESYNFFEK YARLANIGYc VGPGTKIFKP FNcGLQcAHF DATA SEQUENCE PNVELIEEFH DPRLIFDVSG YLAVDHASKQ IYLVIRGTHS LEDVITDIRX DATA SEQUENCE XXAPLTNFDL AANISSTATC DDCLVHNGFI QSYNNTYNQI GPKLDSVIEQ DATA SEQUENCE YPDYQIAVTG HSLGGAAALL FGINLKVNGH DPLVVTLGQP IVGNAGFANW DATA SEQUENCE VDKLFFGQEN PDVSKVSKDR KLYRITHRGD IVPQVPFWDG YQHCSGEVFI DATA SEQUENCE DWPLIHPPLS NVVMcQGQSN KQcSAGNTLL QQVNVIGNHL QYFVTEGVcG DATA SEQUENCE I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.020 176.094 -0.123 0.000 1.182 1 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 1 V CB 0.000 31.835 31.823 0.020 0.000 1.184 2 Y N 4.472 124.794 120.300 0.037 0.000 2.537 2 Y HA 0.525 5.075 4.550 -0.000 0.000 0.339 2 Y C 1.166 177.074 175.900 0.013 0.000 1.066 2 Y CA 0.508 58.619 58.100 0.019 0.000 1.357 2 Y CB 1.154 39.620 38.460 0.010 0.000 1.175 2 Y HN 0.622 nan 8.280 nan 0.000 0.525 3 T N 2.566 117.194 114.554 0.123 0.000 2.918 3 T HA 0.631 4.981 4.350 -0.000 0.000 0.286 3 T C -0.660 174.072 174.700 0.053 0.000 1.026 3 T CA -0.762 61.377 62.100 0.065 0.000 1.031 3 T CB 1.598 70.484 68.868 0.030 0.000 1.046 3 T HN 0.542 nan 8.240 nan 0.000 0.479 4 S N -0.212 115.501 115.700 0.022 0.000 2.587 4 S HA 0.569 5.038 4.470 -0.000 0.000 0.269 4 S C 0.080 174.670 174.600 -0.017 0.000 1.154 4 S CA -0.250 57.953 58.200 0.005 0.000 0.824 4 S CB 1.393 64.593 63.200 -0.001 0.000 1.118 4 S HN 0.868 nan 8.310 nan 0.000 0.462 5 T N -0.664 113.879 114.554 -0.020 0.000 3.170 5 T HA 0.390 4.740 4.350 -0.000 0.000 0.288 5 T C -0.409 174.272 174.700 -0.032 0.000 0.992 5 T CA -0.359 61.721 62.100 -0.033 0.000 0.909 5 T CB 0.060 68.912 68.868 -0.027 0.000 1.133 5 T HN 0.408 nan 8.240 nan 0.000 0.530 6 E N 3.076 123.260 120.200 -0.027 0.000 2.313 6 E HA 0.472 4.822 4.350 -0.000 0.000 0.276 6 E C 0.168 176.748 176.600 -0.034 0.000 1.031 6 E CA 0.151 56.536 56.400 -0.025 0.000 0.857 6 E CB 1.632 31.321 29.700 -0.019 0.000 1.040 6 E HN 0.679 nan 8.360 nan 0.000 0.408 7 T N -1.155 113.377 114.554 -0.036 0.000 2.864 7 T HA 0.709 5.059 4.350 -0.000 0.000 0.299 7 T C -0.327 174.337 174.700 -0.059 0.000 1.166 7 T CA -0.822 61.250 62.100 -0.045 0.000 1.007 7 T CB 1.622 70.456 68.868 -0.057 0.000 1.219 7 T HN 0.160 nan 8.240 nan 0.000 0.506 8 S N 0.017 115.680 115.700 -0.062 0.000 2.564 8 S HA 0.552 5.022 4.470 -0.000 0.000 0.274 8 S C -1.041 173.519 174.600 -0.066 0.000 1.124 8 S CA -0.900 57.272 58.200 -0.046 0.000 0.869 8 S CB 1.132 64.353 63.200 0.035 0.000 1.105 8 S HN 0.740 nan 8.310 nan 0.000 0.472 9 H N 1.377 120.506 119.070 0.098 0.000 2.534 9 H HA 0.584 5.140 4.556 -0.000 0.000 0.364 9 H C 0.206 175.617 175.328 0.137 0.000 1.328 9 H CA -0.055 56.062 56.048 0.115 0.000 1.415 9 H CB 0.650 30.465 29.762 0.088 0.000 1.573 9 H HN 0.632 nan 8.280 nan 0.000 0.601 10 I N -1.256 119.504 120.570 0.318 0.000 3.002 10 I HA 0.364 4.534 4.170 -0.000 0.000 0.310 10 I C -0.555 175.685 176.117 0.205 0.000 1.087 10 I CA -1.259 60.199 61.300 0.263 0.000 1.017 10 I CB 2.310 40.520 38.000 0.349 0.000 1.226 10 I HN 0.386 nan 8.210 nan 0.000 0.443 11 D N 1.664 122.154 120.400 0.150 0.000 2.388 11 D HA 0.172 4.812 4.640 -0.000 0.000 0.254 11 D C 0.615 176.980 176.300 0.107 0.000 1.111 11 D CA -0.473 53.583 54.000 0.093 0.000 0.993 11 D CB 1.134 41.964 40.800 0.049 0.000 1.118 11 D HN 0.725 nan 8.370 nan 0.000 0.502 12 Q N -0.162 119.669 119.800 0.052 0.000 2.135 12 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 12 Q C 1.780 177.824 176.000 0.074 0.000 0.981 12 Q CA 2.170 57.999 55.803 0.043 0.000 0.856 12 Q CB -0.225 28.491 28.738 -0.038 0.000 0.902 12 Q HN 0.732 nan 8.270 nan 0.000 0.425 13 E N -1.026 119.191 120.200 0.028 0.000 2.077 13 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 13 E C 1.758 178.347 176.600 -0.019 0.000 0.989 13 E CA 1.405 57.806 56.400 0.002 0.000 0.800 13 E CB -0.111 29.572 29.700 -0.029 0.000 0.746 13 E HN 0.365 nan 8.360 nan 0.000 0.452 14 S N -0.147 115.532 115.700 -0.036 0.000 2.368 14 S HA -0.199 4.270 4.470 -0.000 0.000 0.225 14 S C 1.611 176.147 174.600 -0.107 0.000 1.030 14 S CA 1.332 59.439 58.200 -0.154 0.000 0.999 14 S CB -0.578 62.588 63.200 -0.057 0.000 0.844 14 S HN 0.475 nan 8.310 nan 0.000 0.459 15 Y N 3.035 123.356 120.300 0.035 0.000 2.165 15 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 15 Y C 2.039 177.913 175.900 -0.042 0.000 1.155 15 Y CA 1.603 59.793 58.100 0.150 0.000 1.164 15 Y CB -0.320 38.239 38.460 0.165 0.000 0.978 15 Y HN 0.190 nan 8.280 nan 0.000 0.513 16 N N 0.005 118.845 118.700 0.233 0.000 2.223 16 N HA -0.202 4.538 4.740 -0.000 0.000 0.185 16 N C 1.631 177.099 175.510 -0.070 0.000 1.016 16 N CA 1.473 54.577 53.050 0.089 0.000 0.863 16 N CB -0.846 37.681 38.487 0.068 0.000 0.983 16 N HN 0.510 nan 8.380 nan 0.000 0.429 17 F N 0.957 120.745 119.950 -0.270 0.000 2.084 17 F HA -0.105 4.421 4.527 -0.000 0.000 0.296 17 F C 1.772 177.390 175.800 -0.303 0.000 1.111 17 F CA 1.198 59.011 58.000 -0.312 0.000 1.224 17 F CB -0.431 38.300 39.000 -0.450 0.000 0.991 17 F HN -0.178 nan 8.300 nan 0.000 0.471 18 F N 1.278 121.050 119.950 -0.296 0.000 2.126 18 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 18 F C 2.650 177.939 175.800 -0.852 0.000 1.096 18 F CA 1.671 59.323 58.000 -0.579 0.000 1.255 18 F CB -1.446 37.264 39.000 -0.483 0.000 0.997 18 F HN 0.181 nan 8.300 nan 0.000 0.479 19 E N 0.850 120.504 120.200 -0.910 0.000 2.110 19 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 19 E C 2.332 178.693 176.600 -0.398 0.000 0.988 19 E CA 1.255 57.177 56.400 -0.798 0.000 0.804 19 E CB -0.138 29.232 29.700 -0.550 0.000 0.745 19 E HN 0.412 nan 8.360 nan 0.000 0.458 20 K N -0.276 119.895 120.400 -0.382 0.000 2.044 20 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 20 K C 1.869 178.186 176.600 -0.473 0.000 1.049 20 K CA 1.854 57.917 56.287 -0.373 0.000 0.927 20 K CB -0.300 31.919 32.500 -0.468 0.000 0.713 20 K HN 0.198 nan 8.250 nan 0.000 0.443 21 Y N 0.313 120.434 120.300 -0.297 0.000 2.373 21 Y HA -0.041 4.508 4.550 -0.000 0.000 0.293 21 Y C 2.364 178.153 175.900 -0.185 0.000 1.129 21 Y CA 0.927 58.859 58.100 -0.281 0.000 1.226 21 Y CB -0.417 37.841 38.460 -0.337 0.000 1.000 21 Y HN 0.227 nan 8.280 nan 0.000 0.549 22 A N 0.407 123.180 122.820 -0.078 0.000 1.933 22 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 22 A C 2.308 179.872 177.584 -0.033 0.000 1.175 22 A CA 1.634 53.658 52.037 -0.021 0.000 0.628 22 A CB -0.502 18.533 19.000 0.058 0.000 0.814 22 A HN 0.380 nan 8.150 nan 0.000 0.444 23 R N -0.765 119.704 120.500 -0.052 0.000 2.073 23 R HA -0.034 4.306 4.340 -0.000 0.000 0.234 23 R C 2.112 178.418 176.300 0.009 0.000 1.134 23 R CA 1.484 57.598 56.100 0.024 0.000 0.952 23 R CB -0.520 29.855 30.300 0.124 0.000 0.850 23 R HN 0.516 nan 8.270 nan 0.000 0.433 24 L N 0.063 121.215 121.223 -0.118 0.000 2.046 24 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 24 L C 2.647 179.497 176.870 -0.034 0.000 1.077 24 L CA 1.179 55.895 54.840 -0.207 0.000 0.747 24 L CB -0.518 41.251 42.059 -0.483 0.000 0.896 24 L HN 0.256 nan 8.230 nan 0.000 0.432 25 A N 0.275 123.069 122.820 -0.043 0.000 1.972 25 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 25 A C 2.144 179.773 177.584 0.074 0.000 1.169 25 A CA 1.904 53.938 52.037 -0.004 0.000 0.635 25 A CB -0.693 18.311 19.000 0.007 0.000 0.810 25 A HN 0.551 nan 8.150 nan 0.000 0.446 26 N N 0.676 119.422 118.700 0.077 0.000 2.188 26 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 26 N C 1.491 177.092 175.510 0.151 0.000 1.018 26 N CA 1.512 54.645 53.050 0.138 0.000 0.858 26 N CB -0.345 38.157 38.487 0.025 0.000 0.989 26 N HN 0.506 nan 8.380 nan 0.000 0.426 27 I N 0.718 121.333 120.570 0.075 0.000 2.916 27 I HA -0.080 4.090 4.170 -0.000 0.000 0.267 27 I C 2.292 178.445 176.117 0.061 0.000 1.263 27 I CA 0.651 61.944 61.300 -0.012 0.000 1.471 27 I CB -0.468 37.453 38.000 -0.132 0.000 1.089 27 I HN 0.193 nan 8.210 nan 0.000 0.468 28 G N 0.320 109.217 108.800 0.161 0.000 2.450 28 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 28 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 28 G C 1.271 176.045 174.900 -0.210 0.000 1.130 28 G CA 0.541 45.637 45.100 -0.008 0.000 0.760 28 G HN 0.377 nan 8.290 nan 0.000 0.557 29 Y N -0.325 119.960 120.300 -0.025 0.000 2.632 29 Y HA 0.066 4.616 4.550 -0.000 0.000 0.301 29 Y C 2.229 178.072 175.900 -0.094 0.000 1.172 29 Y CA -0.160 57.909 58.100 -0.052 0.000 1.328 29 Y CB -0.117 38.315 38.460 -0.047 0.000 1.016 29 Y HN 0.176 nan 8.280 nan 0.000 0.529 30 c N -0.571 118.006 118.600 -0.039 0.000 2.754 30 c HA 0.295 4.865 4.570 -0.000 0.000 0.276 30 c C 0.781 174.754 174.090 -0.194 0.000 1.264 30 c CA -0.588 55.659 56.329 -0.137 0.000 1.700 30 c CB -1.143 41.234 42.510 -0.221 0.000 1.885 30 c HN -0.036 nan 8.230 nan 0.000 0.607 31 V N 1.677 121.491 119.914 -0.167 0.000 2.370 31 V HA 0.788 4.907 4.120 -0.000 0.000 0.279 31 V C 0.565 176.540 176.094 -0.199 0.000 1.029 31 V CA 0.835 63.020 62.300 -0.192 0.000 0.870 31 V CB 0.738 32.447 31.823 -0.190 0.000 0.984 31 V HN 0.644 nan 8.190 nan 0.000 0.451 32 G N 6.418 115.067 108.800 -0.253 0.000 2.361 32 G HA2 0.117 4.077 3.960 -0.000 0.000 0.331 32 G HA3 0.117 4.077 3.960 -0.000 0.000 0.331 32 G C -3.490 171.215 174.900 -0.326 0.000 1.324 32 G CA -1.063 43.805 45.100 -0.387 0.000 0.984 32 G HN 0.498 nan 8.290 nan 0.000 0.586 33 P HA 0.394 nan 4.420 nan 0.000 0.268 33 P C 0.985 178.206 177.300 -0.133 0.000 1.204 33 P CA 2.044 65.022 63.100 -0.203 0.000 0.768 33 P CB 0.906 32.510 31.700 -0.161 0.000 0.842 34 G N 0.549 109.290 108.800 -0.099 0.000 2.136 34 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 34 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 34 G C 0.219 175.068 174.900 -0.084 0.000 0.989 34 G CA 0.336 45.394 45.100 -0.069 0.000 0.682 34 G HN 0.875 nan 8.290 nan 0.000 0.522 35 T N -1.193 113.283 114.554 -0.129 0.000 2.749 35 T HA 0.622 4.972 4.350 -0.000 0.000 0.310 35 T C -1.894 172.649 174.700 -0.261 0.000 1.496 35 T CA -0.375 61.628 62.100 -0.161 0.000 1.006 35 T CB 1.506 70.295 68.868 -0.132 0.000 1.457 35 T HN 0.306 nan 8.240 nan 0.000 0.497 36 K N 2.145 122.316 120.400 -0.381 0.000 2.523 36 K HA 0.531 4.850 4.320 -0.000 0.000 0.257 36 K C -1.276 174.926 176.600 -0.664 0.000 0.932 36 K CA -0.596 55.298 56.287 -0.655 0.000 0.812 36 K CB 2.175 33.885 32.500 -1.316 0.000 1.326 36 K HN 0.598 nan 8.250 nan 0.000 0.433 37 I N 2.805 123.020 120.570 -0.592 0.000 2.355 37 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 37 I C -0.540 175.331 176.117 -0.410 0.000 0.999 37 I CA -0.732 60.273 61.300 -0.492 0.000 1.163 37 I CB 0.488 38.230 38.000 -0.430 0.000 1.316 37 I HN 0.303 nan 8.210 nan 0.000 0.454 38 F N 5.018 124.906 119.950 -0.104 0.000 2.378 38 F HA 0.427 4.954 4.527 -0.000 0.000 0.325 38 F C 0.837 176.626 175.800 -0.017 0.000 1.097 38 F CA -0.711 57.259 58.000 -0.049 0.000 1.079 38 F CB 0.750 39.725 39.000 -0.041 0.000 1.240 38 F HN 0.244 nan 8.300 nan 0.000 0.519 39 K N 2.025 122.573 120.400 0.246 0.000 2.185 39 K HA 0.205 4.525 4.320 -0.000 0.000 0.271 39 K C -1.649 175.039 176.600 0.146 0.000 1.013 39 K CA -1.282 55.103 56.287 0.165 0.000 0.943 39 K CB 0.858 33.438 32.500 0.133 0.000 0.998 39 K HN 0.291 nan 8.250 nan 0.000 0.468 40 P HA -0.023 nan 4.420 nan 0.000 0.217 40 P C -0.262 177.197 177.300 0.265 0.000 1.154 40 P CA 0.800 64.003 63.100 0.171 0.000 0.841 40 P CB 0.317 32.108 31.700 0.152 0.000 0.790 41 F N -0.215 119.760 119.950 0.042 0.000 3.015 41 F HA 0.315 4.842 4.527 -0.000 0.000 0.415 41 F C -1.477 174.332 175.800 0.016 0.000 1.185 41 F CA -0.842 57.156 58.000 -0.002 0.000 1.188 41 F CB -0.091 38.917 39.000 0.013 0.000 2.558 41 F HN -0.301 nan 8.300 nan 0.000 0.587 42 N N 2.373 121.037 118.700 -0.060 0.000 2.372 42 N HA 0.570 5.310 4.740 -0.000 0.000 0.285 42 N C -0.341 175.073 175.510 -0.160 0.000 1.008 42 N CA -0.129 52.886 53.050 -0.059 0.000 0.880 42 N CB 1.832 40.369 38.487 0.083 0.000 1.239 42 N HN 0.488 nan 8.380 nan 0.000 0.484 43 c N 0.097 118.581 118.600 -0.193 0.000 3.724 43 c HA 0.665 5.235 4.570 -0.000 0.000 0.325 43 c C 0.752 174.770 174.090 -0.121 0.000 2.763 43 c CA -0.030 56.173 56.329 -0.209 0.000 1.574 43 c CB -0.920 41.376 42.510 -0.357 0.000 3.199 43 c HN 0.916 nan 8.230 nan 0.000 0.384 44 G N 1.764 110.528 108.800 -0.058 0.000 2.527 44 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.227 44 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.227 44 G C 0.194 175.091 174.900 -0.006 0.000 1.291 44 G CA 0.194 45.279 45.100 -0.025 0.000 0.904 44 G HN 1.231 nan 8.290 nan 0.000 0.577 45 L N 0.283 121.517 121.223 0.018 0.000 2.012 45 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 45 L C 2.959 179.919 176.870 0.151 0.000 1.073 45 L CA 3.293 58.170 54.840 0.061 0.000 0.748 45 L CB -0.661 41.441 42.059 0.072 0.000 0.891 45 L HN 0.642 nan 8.230 nan 0.000 0.431 46 Q N -1.399 118.478 119.800 0.129 0.000 2.123 46 Q HA -0.127 4.213 4.340 -0.000 0.000 0.199 46 Q C 2.451 178.642 176.000 0.319 0.000 0.966 46 Q CA 1.713 57.648 55.803 0.220 0.000 0.845 46 Q CB -0.959 27.848 28.738 0.113 0.000 0.907 46 Q HN 0.576 nan 8.270 nan 0.000 0.439 47 c N 0.816 119.486 118.600 0.116 0.000 2.419 47 c HA -0.024 4.545 4.570 -0.000 0.000 0.281 47 c C 2.641 176.897 174.090 0.276 0.000 1.336 47 c CA 0.563 56.945 56.329 0.089 0.000 1.770 47 c CB -1.127 41.165 42.510 -0.364 0.000 1.929 47 c HN 0.532 nan 8.230 nan 0.000 0.509 48 A N -0.635 122.269 122.820 0.140 0.000 2.172 48 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 48 A C 1.369 178.915 177.584 -0.063 0.000 1.154 48 A CA 1.156 53.209 52.037 0.027 0.000 0.701 48 A CB -0.771 18.187 19.000 -0.070 0.000 0.789 48 A HN 0.781 nan 8.150 nan 0.000 0.465 49 H N -2.495 116.554 119.070 -0.035 0.000 2.536 49 H HA 0.258 4.814 4.556 -0.000 0.000 0.276 49 H C -0.807 174.103 175.328 -0.696 0.000 1.019 49 H CA 0.365 56.204 56.048 -0.347 0.000 1.159 49 H CB -0.069 29.383 29.762 -0.517 0.000 1.373 49 H HN 0.437 nan 8.280 nan 0.000 0.584 50 F N 1.971 122.039 119.950 0.197 0.000 2.531 50 F HA 0.283 4.810 4.527 -0.000 0.000 0.333 50 F C -2.295 173.594 175.800 0.149 0.000 1.292 50 F CA -2.916 55.197 58.000 0.190 0.000 1.184 50 F CB 0.723 39.911 39.000 0.314 0.000 1.426 50 F HN -0.041 nan 8.300 nan 0.000 0.559 51 P HA 0.076 nan 4.420 nan 0.000 0.272 51 P C 0.342 177.725 177.300 0.138 0.000 1.223 51 P CA 0.139 63.316 63.100 0.128 0.000 0.784 51 P CB 0.858 32.593 31.700 0.057 0.000 0.923 52 N N -0.506 118.271 118.700 0.127 0.000 2.741 52 N HA -0.119 4.621 4.740 -0.000 0.000 0.251 52 N C -0.929 174.668 175.510 0.145 0.000 1.112 52 N CA 0.572 53.704 53.050 0.137 0.000 0.750 52 N CB -1.355 37.207 38.487 0.124 0.000 1.119 52 N HN 0.158 nan 8.380 nan 0.000 0.561 53 V N 0.950 120.925 119.914 0.102 0.000 2.532 53 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 53 V C 0.422 176.489 176.094 -0.045 0.000 1.041 53 V CA -0.544 61.710 62.300 -0.077 0.000 0.926 53 V CB 1.831 33.465 31.823 -0.315 0.000 0.992 53 V HN 0.263 nan 8.190 nan 0.000 0.457 54 E N 3.948 124.099 120.200 -0.081 0.000 2.210 54 E HA 0.599 4.948 4.350 -0.000 0.000 0.266 54 E C -1.066 175.516 176.600 -0.031 0.000 0.883 54 E CA -0.992 55.419 56.400 0.018 0.000 0.761 54 E CB 2.233 32.002 29.700 0.114 0.000 1.156 54 E HN 0.429 nan 8.360 nan 0.000 0.412 55 L N 4.497 125.772 121.223 0.087 0.000 2.410 55 L HA 0.096 4.435 4.340 -0.000 0.000 0.273 55 L C 0.145 177.081 176.870 0.110 0.000 1.144 55 L CA 0.005 54.923 54.840 0.129 0.000 0.863 55 L CB 0.431 42.598 42.059 0.179 0.000 1.140 55 L HN 0.790 nan 8.230 nan 0.000 0.463 56 I N 2.563 123.200 120.570 0.113 0.000 2.512 56 I HA 0.224 4.394 4.170 -0.000 0.000 0.247 56 I C 0.607 176.792 176.117 0.113 0.000 1.094 56 I CA 0.713 62.075 61.300 0.103 0.000 1.427 56 I CB -0.696 37.359 38.000 0.090 0.000 1.149 56 I HN 0.738 nan 8.210 nan 0.000 0.438 57 E N 0.134 120.420 120.200 0.144 0.000 2.378 57 E HA 0.287 4.636 4.350 -0.000 0.000 0.283 57 E C -1.196 175.523 176.600 0.199 0.000 0.979 57 E CA -0.404 56.086 56.400 0.149 0.000 0.795 57 E CB 1.992 31.776 29.700 0.139 0.000 1.221 57 E HN 0.104 nan 8.360 nan 0.000 0.428 58 E N 2.087 122.378 120.200 0.151 0.000 2.232 58 E HA 0.542 4.892 4.350 -0.000 0.000 0.265 58 E C -0.895 175.820 176.600 0.191 0.000 1.001 58 E CA -0.757 55.701 56.400 0.097 0.000 0.870 58 E CB 1.267 30.967 29.700 -0.000 0.000 1.175 58 E HN 0.322 nan 8.360 nan 0.000 0.407 59 F N -0.764 119.226 119.950 0.066 0.000 2.588 59 F HA 0.629 5.156 4.527 -0.000 0.000 0.310 59 F C -0.849 175.017 175.800 0.110 0.000 1.082 59 F CA -1.130 56.906 58.000 0.061 0.000 0.929 59 F CB 1.350 40.361 39.000 0.019 0.000 1.254 59 F HN 0.484 nan 8.300 nan 0.000 0.455 60 H N 0.313 119.457 119.070 0.123 0.000 3.042 60 H HA 0.480 5.036 4.556 -0.000 0.000 0.345 60 H C -2.542 172.830 175.328 0.073 0.000 1.052 60 H CA -0.540 55.527 56.048 0.032 0.000 1.311 60 H CB 1.705 31.440 29.762 -0.045 0.000 1.810 60 H HN 0.803 nan 8.280 nan 0.000 0.505 61 D N 5.794 125.970 120.400 -0.374 0.000 2.686 61 D HA 0.228 4.867 4.640 -0.000 0.000 0.249 61 D C -2.436 173.646 176.300 -0.364 0.000 1.260 61 D CA -2.251 51.533 54.000 -0.360 0.000 0.910 61 D CB 2.939 43.696 40.800 -0.072 0.000 1.323 61 D HN 0.440 nan 8.370 nan 0.000 0.561 62 P HA 0.178 nan 4.420 nan 0.000 0.268 62 P C 1.001 178.388 177.300 0.145 0.000 1.329 62 P CA -0.102 62.888 63.100 -0.183 0.000 0.899 62 P CB 0.784 32.413 31.700 -0.120 0.000 1.378 63 R N -0.065 120.480 120.500 0.075 0.000 2.103 63 R HA -0.013 4.326 4.340 -0.000 0.000 0.234 63 R C 1.074 177.458 176.300 0.139 0.000 1.132 63 R CA 1.081 57.240 56.100 0.099 0.000 0.925 63 R CB -0.727 29.609 30.300 0.060 0.000 0.842 63 R HN 0.257 nan 8.270 nan 0.000 0.430 64 L N -0.144 121.173 121.223 0.157 0.000 2.322 64 L HA 0.198 4.538 4.340 -0.000 0.000 0.269 64 L C 1.173 178.102 176.870 0.099 0.000 1.012 64 L CA -0.633 54.273 54.840 0.111 0.000 0.815 64 L CB 1.311 43.456 42.059 0.142 0.000 1.295 64 L HN -0.017 nan 8.230 nan 0.000 0.438 65 I N 0.408 120.928 120.570 -0.084 0.000 2.567 65 I HA -0.197 3.973 4.170 -0.000 0.000 0.257 65 I C 1.293 177.287 176.117 -0.206 0.000 1.184 65 I CA 1.821 62.952 61.300 -0.281 0.000 1.451 65 I CB -0.109 37.624 38.000 -0.445 0.000 1.089 65 I HN 0.430 nan 8.210 nan 0.000 0.441 66 F N 0.214 120.245 119.950 0.134 0.000 2.641 66 F HA 0.246 4.773 4.527 -0.000 0.000 0.302 66 F C 0.859 176.761 175.800 0.170 0.000 1.098 66 F CA -0.607 57.488 58.000 0.159 0.000 1.318 66 F CB -0.519 38.569 39.000 0.147 0.000 1.035 66 F HN -0.068 nan 8.300 nan 0.000 0.551 67 D N 0.216 120.789 120.400 0.288 0.000 2.377 67 D HA 0.375 5.015 4.640 -0.000 0.000 0.245 67 D C 0.111 176.515 176.300 0.174 0.000 1.196 67 D CA 0.270 54.397 54.000 0.210 0.000 0.962 67 D CB 1.701 42.589 40.800 0.148 0.000 1.127 67 D HN -0.031 nan 8.370 nan 0.000 0.471 68 V N -2.510 117.499 119.914 0.159 0.000 3.126 68 V HA 0.894 5.014 4.120 -0.000 0.000 0.314 68 V C -0.274 175.924 176.094 0.174 0.000 1.138 68 V CA -0.598 61.808 62.300 0.176 0.000 1.034 68 V CB 2.055 34.031 31.823 0.255 0.000 1.075 68 V HN 0.443 nan 8.190 nan 0.000 0.442 69 S N -0.542 115.190 115.700 0.054 0.000 2.618 69 S HA 1.042 5.512 4.470 -0.000 0.000 0.277 69 S C -0.036 174.193 174.600 -0.619 0.000 1.138 69 S CA 0.020 58.110 58.200 -0.183 0.000 0.844 69 S CB 1.731 64.872 63.200 -0.098 0.000 1.127 69 S HN 1.974 nan 8.310 nan 0.000 0.474 70 G N 0.301 108.350 108.800 -1.250 0.000 2.333 70 G HA2 0.468 4.428 3.960 -0.000 0.000 0.288 70 G HA3 0.468 4.428 3.960 -0.000 0.000 0.288 70 G C -2.343 171.943 174.900 -1.023 0.000 1.286 70 G CA -0.351 44.123 45.100 -1.042 0.000 0.865 70 G HN 1.161 nan 8.290 nan 0.000 0.506 71 Y N -1.887 118.139 120.300 -0.457 0.000 2.625 71 Y HA 0.860 5.410 4.550 -0.000 0.000 0.338 71 Y C -1.397 174.575 175.900 0.119 0.000 1.123 71 Y CA -1.668 56.372 58.100 -0.100 0.000 1.046 71 Y CB 1.881 40.303 38.460 -0.065 0.000 1.299 71 Y HN 0.959 nan 8.280 nan 0.000 0.464 72 L N 2.542 123.941 121.223 0.294 0.000 2.362 72 L HA 1.000 5.340 4.340 -0.000 0.000 0.275 72 L C -1.028 175.985 176.870 0.238 0.000 0.998 72 L CA -0.635 54.307 54.840 0.170 0.000 0.820 72 L CB 1.350 43.481 42.059 0.121 0.000 1.270 72 L HN 1.078 nan 8.230 nan 0.000 0.415 73 A N 4.041 126.964 122.820 0.173 0.000 2.527 73 A HA 0.879 5.199 4.320 -0.000 0.000 0.293 73 A C -1.689 175.803 177.584 -0.154 0.000 1.117 73 A CA -0.613 51.460 52.037 0.059 0.000 0.723 73 A CB 1.961 21.007 19.000 0.078 0.000 1.313 73 A HN 0.484 nan 8.150 nan 0.000 0.411 74 V N 1.654 121.400 119.914 -0.280 0.000 2.448 74 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 74 V C -0.998 174.734 176.094 -0.602 0.000 1.025 74 V CA -0.495 61.501 62.300 -0.505 0.000 0.859 74 V CB 1.756 33.196 31.823 -0.638 0.000 0.988 74 V HN 0.881 nan 8.190 nan 0.000 0.431 75 D N 2.972 122.959 120.400 -0.689 0.000 2.443 75 D HA 0.231 4.871 4.640 -0.000 0.000 0.221 75 D C 0.943 176.982 176.300 -0.436 0.000 1.097 75 D CA -0.266 53.450 54.000 -0.474 0.000 0.865 75 D CB 0.659 41.177 40.800 -0.471 0.000 1.034 75 D HN 0.591 nan 8.370 nan 0.000 0.511 76 H N 2.175 121.175 119.070 -0.116 0.000 2.524 76 H HA -0.002 4.554 4.556 -0.000 0.000 0.282 76 H C 1.480 176.746 175.328 -0.104 0.000 1.016 76 H CA 0.897 56.906 56.048 -0.064 0.000 1.270 76 H CB 0.462 30.241 29.762 0.029 0.000 1.394 76 H HN 0.493 nan 8.280 nan 0.000 0.568 77 A N 0.867 123.692 122.820 0.008 0.000 1.898 77 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 77 A C 2.517 180.065 177.584 -0.060 0.000 1.183 77 A CA 1.376 53.413 52.037 -0.000 0.000 0.622 77 A CB -0.273 18.749 19.000 0.037 0.000 0.824 77 A HN 0.428 nan 8.150 nan 0.000 0.444 78 S N -1.909 113.732 115.700 -0.098 0.000 2.548 78 S HA 0.191 4.661 4.470 -0.000 0.000 0.215 78 S C 0.467 174.910 174.600 -0.261 0.000 0.976 78 S CA 0.620 58.760 58.200 -0.100 0.000 0.908 78 S CB -0.094 63.117 63.200 0.018 0.000 0.781 78 S HN 0.347 nan 8.310 nan 0.000 0.519 79 K N 0.942 121.022 120.400 -0.533 0.000 3.372 79 K HA -0.140 4.180 4.320 -0.000 0.000 0.272 79 K C -0.643 175.390 176.600 -0.945 0.000 1.037 79 K CA 0.735 56.300 56.287 -1.203 0.000 0.777 79 K CB -2.045 29.982 32.500 -0.789 0.000 1.347 79 K HN 0.735 nan 8.250 nan 0.000 0.460 80 Q N -0.361 119.028 119.800 -0.684 0.000 2.456 80 Q HA 0.651 4.991 4.340 -0.000 0.000 0.283 80 Q C -0.491 175.261 176.000 -0.413 0.000 1.084 80 Q CA -1.107 54.475 55.803 -0.368 0.000 0.801 80 Q CB 2.213 30.755 28.738 -0.327 0.000 1.434 80 Q HN 0.222 nan 8.270 nan 0.000 0.419 81 I N 1.730 122.154 120.570 -0.244 0.000 2.354 81 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 81 I C -1.264 174.737 176.117 -0.192 0.000 0.989 81 I CA -0.742 60.411 61.300 -0.245 0.000 1.188 81 I CB 0.689 38.651 38.000 -0.063 0.000 1.342 81 I HN 0.436 nan 8.210 nan 0.000 0.457 82 Y N 6.236 126.498 120.300 -0.062 0.000 2.341 82 Y HA 0.534 5.084 4.550 -0.000 0.000 0.337 82 Y C -0.371 175.437 175.900 -0.154 0.000 1.014 82 Y CA -1.241 56.808 58.100 -0.084 0.000 1.111 82 Y CB 1.519 39.910 38.460 -0.115 0.000 1.194 82 Y HN 0.324 nan 8.280 nan 0.000 0.462 83 L N 4.656 125.878 121.223 -0.001 0.000 2.298 83 L HA 0.765 5.105 4.340 -0.000 0.000 0.284 83 L C -1.344 175.380 176.870 -0.244 0.000 1.013 83 L CA -0.638 54.104 54.840 -0.162 0.000 0.824 83 L CB 1.064 42.975 42.059 -0.246 0.000 1.221 83 L HN 0.384 nan 8.230 nan 0.000 0.418 84 V N 6.556 126.195 119.914 -0.460 0.000 2.495 84 V HA 0.577 4.697 4.120 -0.000 0.000 0.298 84 V C -0.022 175.877 176.094 -0.324 0.000 1.031 84 V CA -0.446 61.554 62.300 -0.500 0.000 0.871 84 V CB 1.741 32.973 31.823 -0.986 0.000 0.988 84 V HN 0.644 nan 8.190 nan 0.000 0.432 85 I N 5.116 125.580 120.570 -0.176 0.000 2.608 85 I HA 0.800 4.970 4.170 -0.000 0.000 0.295 85 I C -0.315 175.726 176.117 -0.126 0.000 1.049 85 I CA -0.800 60.464 61.300 -0.060 0.000 1.063 85 I CB 2.410 40.443 38.000 0.056 0.000 1.248 85 I HN 0.790 nan 8.210 nan 0.000 0.424 86 R N 2.914 123.323 120.500 -0.151 0.000 2.781 86 R HA 0.761 5.101 4.340 -0.000 0.000 0.269 86 R C -0.539 175.725 176.300 -0.059 0.000 1.025 86 R CA -0.965 55.029 56.100 -0.177 0.000 0.914 86 R CB 0.538 30.520 30.300 -0.530 0.000 1.236 86 R HN 0.598 nan 8.270 nan 0.000 0.465 87 G N -0.168 108.640 108.800 0.013 0.000 2.406 87 G HA2 0.263 4.223 3.960 -0.000 0.000 0.251 87 G HA3 0.263 4.223 3.960 -0.000 0.000 0.251 87 G C 0.019 174.946 174.900 0.046 0.000 1.271 87 G CA -0.381 44.770 45.100 0.085 0.000 0.859 87 G HN 0.594 nan 8.290 nan 0.000 0.540 88 T N 1.575 116.142 114.554 0.021 0.000 2.857 88 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 88 T C 1.018 175.624 174.700 -0.156 0.000 1.048 88 T CA 0.861 62.913 62.100 -0.081 0.000 1.139 88 T CB -0.180 68.569 68.868 -0.198 0.000 0.874 88 T HN 0.533 nan 8.240 nan 0.000 0.455 89 H N 1.372 120.483 119.070 0.069 0.000 2.547 89 H HA 0.337 4.893 4.556 -0.000 0.000 0.362 89 H C 0.500 175.872 175.328 0.073 0.000 1.181 89 H CA -0.387 55.693 56.048 0.054 0.000 1.376 89 H CB 0.470 30.235 29.762 0.005 0.000 1.488 89 H HN 0.121 nan 8.280 nan 0.000 0.583 90 S N 1.628 117.438 115.700 0.184 0.000 2.599 90 S HA -0.091 4.379 4.470 -0.000 0.000 0.303 90 S C 2.025 176.706 174.600 0.134 0.000 1.267 90 S CA -0.269 58.013 58.200 0.136 0.000 1.055 90 S CB 0.178 63.438 63.200 0.100 0.000 0.790 90 S HN 0.420 nan 8.310 nan 0.000 0.500 91 L N 2.732 124.044 121.223 0.149 0.000 2.012 91 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 91 L C 2.766 179.698 176.870 0.104 0.000 1.073 91 L CA 1.808 56.746 54.840 0.162 0.000 0.748 91 L CB -0.601 41.578 42.059 0.200 0.000 0.891 91 L HN 0.839 nan 8.230 nan 0.000 0.431 92 E N -0.336 119.914 120.200 0.083 0.000 2.118 92 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 92 E C 1.224 177.840 176.600 0.027 0.000 0.992 92 E CA 1.640 58.070 56.400 0.050 0.000 0.804 92 E CB -0.324 29.402 29.700 0.043 0.000 0.741 92 E HN 0.538 nan 8.360 nan 0.000 0.458 93 D N 1.004 121.423 120.400 0.031 0.000 2.162 93 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 93 D C 2.306 178.585 176.300 -0.035 0.000 0.967 93 D CA 0.842 54.841 54.000 -0.002 0.000 0.840 93 D CB 0.032 40.831 40.800 -0.001 0.000 0.972 93 D HN 0.118 nan 8.370 nan 0.000 0.482 94 V N 2.193 122.098 119.914 -0.015 0.000 2.295 94 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 94 V C 2.523 178.595 176.094 -0.037 0.000 1.049 94 V CA 1.026 63.288 62.300 -0.064 0.000 1.024 94 V CB -0.333 31.493 31.823 0.005 0.000 0.648 94 V HN 0.140 nan 8.190 nan 0.000 0.447 95 I N 0.558 121.122 120.570 -0.011 0.000 2.151 95 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 95 I C 2.572 178.661 176.117 -0.046 0.000 1.080 95 I CA 2.136 63.411 61.300 -0.041 0.000 1.339 95 I CB -2.147 35.803 38.000 -0.083 0.000 1.039 95 I HN 0.347 nan 8.210 nan 0.000 0.409 96 T N 0.859 115.391 114.554 -0.035 0.000 2.597 96 T HA -0.259 4.091 4.350 -0.000 0.000 0.267 96 T C 1.684 176.377 174.700 -0.011 0.000 1.053 96 T CA 1.979 64.064 62.100 -0.025 0.000 1.165 96 T CB -0.445 68.412 68.868 -0.017 0.000 0.863 96 T HN 0.338 nan 8.240 nan 0.000 0.427 97 D N 0.532 120.918 120.400 -0.024 0.000 2.182 97 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 97 D C 2.107 178.483 176.300 0.126 0.000 0.986 97 D CA 0.734 54.733 54.000 -0.001 0.000 0.847 97 D CB -0.195 40.520 40.800 -0.142 0.000 0.942 97 D HN 0.381 nan 8.370 nan 0.000 0.467 98 I N 0.390 121.043 120.570 0.138 0.000 2.142 98 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 98 I C 1.859 178.065 176.117 0.148 0.000 1.078 98 I CA 0.620 62.070 61.300 0.250 0.000 1.343 98 I CB -0.116 38.011 38.000 0.212 0.000 1.046 98 I HN -0.075 nan 8.210 nan 0.000 0.405 104 P HA 0.729 nan 4.420 nan 0.000 0.281 104 P C -1.333 175.873 177.300 -0.156 0.000 1.281 104 P CA -0.307 62.690 63.100 -0.171 0.000 0.811 104 P CB 0.660 32.268 31.700 -0.154 0.000 1.154 105 L N 0.363 121.504 121.223 -0.136 0.000 2.334 105 L HA 0.615 4.955 4.340 -0.000 0.000 0.276 105 L C 0.734 177.549 176.870 -0.092 0.000 1.014 105 L CA -0.074 54.694 54.840 -0.120 0.000 0.815 105 L CB 1.830 43.784 42.059 -0.174 0.000 1.268 105 L HN 0.550 nan 8.230 nan 0.000 0.428 106 T N -1.892 112.624 114.554 -0.063 0.000 2.906 106 T HA 0.380 4.730 4.350 -0.000 0.000 0.295 106 T C -0.438 174.255 174.700 -0.012 0.000 1.061 106 T CA -0.930 61.146 62.100 -0.039 0.000 1.000 106 T CB 1.539 70.388 68.868 -0.031 0.000 1.103 106 T HN 0.423 nan 8.240 nan 0.000 0.486 107 N N 1.031 119.723 118.700 -0.014 0.000 2.483 107 N HA 0.046 4.786 4.740 -0.000 0.000 0.264 107 N C 0.323 175.864 175.510 0.052 0.000 1.197 107 N CA -0.205 52.845 53.050 -0.000 0.000 0.927 107 N CB 0.435 38.899 38.487 -0.038 0.000 1.065 107 N HN 0.646 nan 8.380 nan 0.000 0.461 108 F N 3.049 122.940 119.950 -0.099 0.000 2.333 108 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 108 F C 1.604 177.349 175.800 -0.092 0.000 1.083 108 F CA 1.142 59.090 58.000 -0.086 0.000 1.395 108 F CB -0.148 38.825 39.000 -0.044 0.000 1.056 108 F HN 0.616 nan 8.300 nan 0.000 0.529 109 D N -0.717 119.574 120.400 -0.183 0.000 2.378 109 D HA -0.163 4.477 4.640 -0.000 0.000 0.222 109 D C 1.695 177.866 176.300 -0.215 0.000 0.980 109 D CA 0.643 54.498 54.000 -0.241 0.000 0.907 109 D CB -0.735 39.966 40.800 -0.164 0.000 0.899 109 D HN 0.233 nan 8.370 nan 0.000 0.527 110 L N 0.206 121.331 121.223 -0.162 0.000 2.552 110 L HA 0.277 4.617 4.340 -0.000 0.000 0.227 110 L C 1.209 178.002 176.870 -0.130 0.000 1.146 110 L CA -0.031 54.740 54.840 -0.115 0.000 0.858 110 L CB -0.908 41.118 42.059 -0.055 0.000 0.969 110 L HN 0.113 nan 8.230 nan 0.000 0.451 111 A N -0.212 122.464 122.820 -0.240 0.000 2.371 111 A HA 0.639 4.959 4.320 -0.000 0.000 0.257 111 A C 0.648 178.106 177.584 -0.209 0.000 1.089 111 A CA -0.104 51.819 52.037 -0.191 0.000 0.794 111 A CB 0.095 18.795 19.000 -0.499 0.000 1.029 111 A HN 0.247 nan 8.150 nan 0.000 0.488 112 A N 1.719 124.453 122.820 -0.144 0.000 2.584 112 A HA 0.303 4.623 4.320 -0.000 0.000 0.239 112 A C 1.057 178.288 177.584 -0.589 0.000 1.043 112 A CA 0.989 52.772 52.037 -0.423 0.000 0.756 112 A CB -0.662 17.941 19.000 -0.662 0.000 0.963 112 A HN 1.693 nan 8.150 nan 0.000 0.511 113 N N -1.047 117.339 118.700 -0.523 0.000 2.863 113 N HA -0.140 4.600 4.740 -0.000 0.000 0.245 113 N C -0.498 174.865 175.510 -0.244 0.000 1.001 113 N CA 1.466 54.297 53.050 -0.366 0.000 0.901 113 N CB -1.029 37.200 38.487 -0.431 0.000 1.124 113 N HN 0.548 nan 8.380 nan 0.000 0.582 114 I N 1.391 121.784 120.570 -0.295 0.000 2.330 114 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 114 I C 1.131 177.129 176.117 -0.198 0.000 1.025 114 I CA -0.687 60.444 61.300 -0.281 0.000 1.197 114 I CB 0.434 38.126 38.000 -0.514 0.000 1.358 114 I HN 0.235 nan 8.210 nan 0.000 0.467 115 S N 4.293 119.920 115.700 -0.123 0.000 2.587 115 S HA 0.101 4.571 4.470 -0.000 0.000 0.260 115 S C 1.343 175.887 174.600 -0.094 0.000 1.353 115 S CA -0.132 58.014 58.200 -0.090 0.000 0.995 115 S CB 0.849 64.016 63.200 -0.055 0.000 0.912 115 S HN 0.560 nan 8.310 nan 0.000 0.568 116 S N 0.716 116.370 115.700 -0.076 0.000 2.383 116 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 116 S C 2.014 176.572 174.600 -0.069 0.000 1.030 116 S CA 1.743 59.898 58.200 -0.074 0.000 1.002 116 S CB -0.845 62.320 63.200 -0.058 0.000 0.829 116 S HN 1.012 nan 8.310 nan 0.000 0.467 117 T N -0.932 113.592 114.554 -0.049 0.000 3.060 117 T HA 0.423 4.772 4.350 -0.000 0.000 0.249 117 T C 1.667 176.360 174.700 -0.011 0.000 1.079 117 T CA 0.624 62.705 62.100 -0.032 0.000 1.013 117 T CB -0.023 68.835 68.868 -0.017 0.000 0.975 117 T HN 0.239 nan 8.240 nan 0.000 0.518 118 A N 1.339 124.153 122.820 -0.010 0.000 1.978 118 A HA 0.122 4.441 4.320 -0.000 0.000 0.220 118 A C 1.516 179.171 177.584 0.118 0.000 1.170 118 A CA 1.254 53.327 52.037 0.061 0.000 0.636 118 A CB -0.750 18.276 19.000 0.044 0.000 0.810 118 A HN 0.532 nan 8.150 nan 0.000 0.448 119 T N -1.846 112.646 114.554 -0.104 0.000 2.940 119 T HA 0.456 4.806 4.350 -0.000 0.000 0.288 119 T C 0.177 174.594 174.700 -0.473 0.000 1.045 119 T CA 0.025 61.820 62.100 -0.508 0.000 1.018 119 T CB 1.175 69.722 68.868 -0.535 0.000 1.151 119 T HN 0.642 nan 8.240 nan 0.000 0.529 120 C N 0.651 119.472 119.300 -0.797 0.000 2.520 120 C HA 0.467 4.927 4.460 -0.000 0.000 0.376 120 C C 1.591 176.435 174.990 -0.242 0.000 1.268 120 C CA -0.354 58.440 59.018 -0.373 0.000 2.414 120 C CB -0.304 27.261 27.740 -0.292 0.000 2.521 120 C HN 0.855 nan 8.230 nan 0.000 0.618 121 D N 0.004 120.329 120.400 -0.124 0.000 2.178 121 D HA -0.019 4.621 4.640 -0.000 0.000 0.202 121 D C 1.067 177.321 176.300 -0.076 0.000 0.974 121 D CA 1.774 55.720 54.000 -0.090 0.000 0.841 121 D CB -0.218 40.550 40.800 -0.054 0.000 0.953 121 D HN 0.865 nan 8.370 nan 0.000 0.478 122 D N -0.659 119.704 120.400 -0.061 0.000 2.460 122 D HA 0.036 4.676 4.640 -0.000 0.000 0.229 122 D C -0.724 175.568 176.300 -0.014 0.000 1.170 122 D CA -0.222 53.759 54.000 -0.032 0.000 0.827 122 D CB -0.395 40.401 40.800 -0.007 0.000 0.973 122 D HN -0.011 nan 8.370 nan 0.000 0.496 123 C N 1.899 121.166 119.300 -0.054 0.000 2.183 123 C HA 0.366 4.826 4.460 -0.000 0.000 0.409 123 C C 0.137 175.161 174.990 0.057 0.000 1.022 123 C CA -0.849 58.175 59.018 0.011 0.000 1.367 123 C CB -1.610 25.988 27.740 -0.236 0.000 1.650 123 C HN 0.325 nan 8.230 nan 0.000 0.499 124 L N 3.146 124.393 121.223 0.040 0.000 2.309 124 L HA 0.740 5.080 4.340 -0.000 0.000 0.282 124 L C -0.264 176.514 176.870 -0.152 0.000 1.036 124 L CA -0.354 54.459 54.840 -0.046 0.000 0.806 124 L CB 1.523 43.538 42.059 -0.074 0.000 1.220 124 L HN 0.161 nan 8.230 nan 0.000 0.429 125 V N 0.959 120.781 119.914 -0.155 0.000 2.789 125 V HA 0.208 4.328 4.120 -0.000 0.000 0.311 125 V C -0.238 175.859 176.094 0.005 0.000 1.073 125 V CA -0.838 61.342 62.300 -0.200 0.000 0.921 125 V CB 1.886 33.528 31.823 -0.303 0.000 1.009 125 V HN 0.741 nan 8.190 nan 0.000 0.426 126 H N 3.640 122.725 119.070 0.025 0.000 3.195 126 H HA -0.095 4.461 4.556 -0.000 0.000 0.302 126 H C 1.341 176.526 175.328 -0.238 0.000 0.950 126 H CA 0.835 56.828 56.048 -0.091 0.000 1.398 126 H CB 0.552 30.092 29.762 -0.371 0.000 1.377 126 H HN 0.672 nan 8.280 nan 0.000 0.572 127 N N 3.526 122.109 118.700 -0.196 0.000 2.309 127 N HA -0.092 4.647 4.740 -0.000 0.000 0.182 127 N C 2.013 177.419 175.510 -0.173 0.000 1.018 127 N CA 1.127 54.097 53.050 -0.134 0.000 0.876 127 N CB -0.276 38.122 38.487 -0.148 0.000 0.972 127 N HN 0.852 nan 8.380 nan 0.000 0.434 128 G N -0.182 108.403 108.800 -0.358 0.000 2.421 128 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 128 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 128 G C 1.173 175.655 174.900 -0.697 0.000 1.171 128 G CA 0.344 44.800 45.100 -1.074 0.000 0.775 128 G HN 0.218 nan 8.290 nan 0.000 0.543 129 F N 0.518 120.231 119.950 -0.396 0.000 2.234 129 F HA 0.153 4.680 4.527 -0.000 0.000 0.299 129 F C 2.361 178.158 175.800 -0.005 0.000 1.087 129 F CA -0.358 57.508 58.000 -0.223 0.000 1.340 129 F CB -0.763 38.082 39.000 -0.259 0.000 1.031 129 F HN 0.099 nan 8.300 nan 0.000 0.500 130 I N -0.096 120.585 120.570 0.184 0.000 2.394 130 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 130 I C 2.557 178.835 176.117 0.268 0.000 1.136 130 I CA 1.062 62.526 61.300 0.273 0.000 1.425 130 I CB -0.145 37.981 38.000 0.209 0.000 1.079 130 I HN 0.112 nan 8.210 nan 0.000 0.425 131 Q N 0.772 120.662 119.800 0.151 0.000 2.124 131 Q HA -0.199 4.140 4.340 -0.000 0.000 0.202 131 Q C 2.228 178.359 176.000 0.218 0.000 0.977 131 Q CA 2.399 58.299 55.803 0.162 0.000 0.850 131 Q CB -0.376 28.445 28.738 0.138 0.000 0.901 131 Q HN 0.643 nan 8.270 nan 0.000 0.429 132 S N -0.930 114.930 115.700 0.267 0.000 2.368 132 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 132 S C 1.962 176.733 174.600 0.285 0.000 1.029 132 S CA 0.933 59.309 58.200 0.292 0.000 0.988 132 S CB -0.986 62.413 63.200 0.332 0.000 0.838 132 S HN 0.574 nan 8.310 nan 0.000 0.462 133 Y N 3.212 123.661 120.300 0.249 0.000 2.114 133 Y HA -0.120 4.430 4.550 -0.000 0.000 0.284 133 Y C 2.188 178.259 175.900 0.284 0.000 1.143 133 Y CA 1.886 60.168 58.100 0.305 0.000 1.135 133 Y CB -1.102 37.567 38.460 0.347 0.000 0.980 133 Y HN 0.210 nan 8.280 nan 0.000 0.499 134 N N 0.694 119.382 118.700 -0.021 0.000 2.094 134 N HA -0.243 4.497 4.740 -0.000 0.000 0.191 134 N C 1.623 177.096 175.510 -0.061 0.000 1.023 134 N CA 1.710 54.683 53.050 -0.129 0.000 0.857 134 N CB -0.635 37.884 38.487 0.054 0.000 1.013 134 N HN 0.499 nan 8.380 nan 0.000 0.426 135 N N -0.892 117.824 118.700 0.027 0.000 2.244 135 N HA -0.041 4.698 4.740 -0.000 0.000 0.183 135 N C 1.230 176.730 175.510 -0.017 0.000 1.016 135 N CA 1.307 54.381 53.050 0.039 0.000 0.866 135 N CB -0.184 38.364 38.487 0.103 0.000 0.980 135 N HN 0.188 nan 8.380 nan 0.000 0.430 136 T N -0.884 113.661 114.554 -0.016 0.000 2.701 136 T HA -0.153 4.196 4.350 -0.000 0.000 0.263 136 T C 1.525 176.136 174.700 -0.147 0.000 1.040 136 T CA 1.279 63.294 62.100 -0.140 0.000 1.147 136 T CB -0.741 68.160 68.868 0.054 0.000 0.865 136 T HN 0.314 nan 8.240 nan 0.000 0.426 137 Y N 2.671 122.874 120.300 -0.162 0.000 2.128 137 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 137 Y C 2.280 178.105 175.900 -0.126 0.000 1.154 137 Y CA 1.424 59.450 58.100 -0.122 0.000 1.149 137 Y CB -0.345 37.825 38.460 -0.485 0.000 0.976 137 Y HN 0.118 nan 8.280 nan 0.000 0.505 138 N N 0.042 118.761 118.700 0.033 0.000 2.309 138 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 138 N C 1.543 177.001 175.510 -0.088 0.000 1.018 138 N CA 1.466 54.522 53.050 0.009 0.000 0.876 138 N CB -0.232 38.282 38.487 0.045 0.000 0.972 138 N HN 0.621 nan 8.380 nan 0.000 0.434 139 Q N -0.736 118.965 119.800 -0.165 0.000 2.204 139 Q HA 0.125 4.465 4.340 -0.000 0.000 0.198 139 Q C 1.037 176.870 176.000 -0.278 0.000 0.946 139 Q CA 0.647 56.335 55.803 -0.191 0.000 0.859 139 Q CB 0.516 29.132 28.738 -0.204 0.000 0.946 139 Q HN 0.195 nan 8.270 nan 0.000 0.474 140 I N -1.063 119.251 120.570 -0.426 0.000 4.526 140 I HA 0.197 4.367 4.170 -0.000 0.000 0.330 140 I C 1.522 177.464 176.117 -0.292 0.000 1.323 140 I CA 0.234 61.310 61.300 -0.372 0.000 1.218 140 I CB 0.523 38.145 38.000 -0.631 0.000 1.233 140 I HN 0.064 nan 8.210 nan 0.000 0.430 141 G N 2.297 110.855 108.800 -0.402 0.000 2.491 141 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 141 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 141 G C -0.556 174.158 174.900 -0.311 0.000 1.180 141 G CA 1.323 46.113 45.100 -0.517 0.000 0.774 141 G HN 0.302 nan 8.290 nan 0.000 0.562 142 P HA -0.013 nan 4.420 nan 0.000 0.218 142 P C 1.630 178.888 177.300 -0.070 0.000 1.149 142 P CA 1.450 64.479 63.100 -0.118 0.000 0.817 142 P CB 0.070 31.720 31.700 -0.084 0.000 0.785 143 K N -0.146 120.208 120.400 -0.076 0.000 2.062 143 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 143 K C 1.872 178.457 176.600 -0.025 0.000 1.051 143 K CA 0.817 57.084 56.287 -0.034 0.000 0.941 143 K CB -1.341 31.147 32.500 -0.020 0.000 0.719 143 K HN -0.088 nan 8.250 nan 0.000 0.440 144 L N 1.427 122.621 121.223 -0.049 0.000 2.013 144 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 144 L C 1.402 178.264 176.870 -0.013 0.000 1.073 144 L CA 2.119 56.942 54.840 -0.029 0.000 0.753 144 L CB -0.818 41.223 42.059 -0.030 0.000 0.890 144 L HN 0.267 nan 8.230 nan 0.000 0.432 145 D N -1.157 119.236 120.400 -0.012 0.000 2.149 145 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 145 D C 2.335 178.644 176.300 0.015 0.000 0.990 145 D CA 1.501 55.509 54.000 0.013 0.000 0.839 145 D CB -0.075 40.746 40.800 0.035 0.000 0.948 145 D HN 0.470 nan 8.370 nan 0.000 0.460 146 S N -0.232 115.470 115.700 0.004 0.000 2.383 146 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 146 S C 2.106 176.710 174.600 0.005 0.000 1.026 146 S CA 0.696 58.897 58.200 0.002 0.000 0.981 146 S CB -0.078 63.122 63.200 0.000 0.000 0.818 146 S HN 0.024 nan 8.310 nan 0.000 0.472 147 V N 2.193 122.123 119.914 0.026 0.000 2.358 147 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 147 V C 2.258 178.399 176.094 0.079 0.000 1.047 147 V CA 1.649 63.992 62.300 0.072 0.000 1.035 147 V CB -0.614 31.259 31.823 0.082 0.000 0.658 147 V HN 0.520 nan 8.190 nan 0.000 0.452 148 I N 0.573 121.168 120.570 0.043 0.000 2.194 148 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 148 I C 2.818 178.955 176.117 0.033 0.000 1.093 148 I CA 2.177 63.504 61.300 0.045 0.000 1.355 148 I CB -0.569 37.440 38.000 0.013 0.000 1.046 148 I HN 0.444 nan 8.210 nan 0.000 0.413 149 E N 0.753 120.958 120.200 0.009 0.000 2.106 149 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 149 E C 2.000 178.538 176.600 -0.103 0.000 0.984 149 E CA 1.410 57.797 56.400 -0.021 0.000 0.806 149 E CB -0.316 29.375 29.700 -0.014 0.000 0.750 149 E HN 0.640 nan 8.360 nan 0.000 0.458 150 Q N -1.632 118.062 119.800 -0.176 0.000 2.172 150 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 150 Q C 0.108 175.688 176.000 -0.700 0.000 0.964 150 Q CA 1.081 56.625 55.803 -0.433 0.000 0.855 150 Q CB 0.133 28.544 28.738 -0.544 0.000 0.918 150 Q HN 0.578 nan 8.270 nan 0.000 0.444 151 Y N -0.624 119.565 120.300 -0.185 0.000 2.511 151 Y HA 0.232 4.782 4.550 -0.000 0.000 0.356 151 Y C -1.869 173.937 175.900 -0.156 0.000 1.002 151 Y CA -2.172 55.723 58.100 -0.341 0.000 1.127 151 Y CB 1.062 39.070 38.460 -0.752 0.000 1.137 151 Y HN 0.076 nan 8.280 nan 0.000 0.652 152 P HA -0.029 nan 4.420 nan 0.000 0.229 152 P C 0.361 177.739 177.300 0.131 0.000 1.160 152 P CA 1.183 64.328 63.100 0.076 0.000 0.777 152 P CB 0.625 32.351 31.700 0.043 0.000 0.814 153 D N -2.024 118.482 120.400 0.177 0.000 2.363 153 D HA 0.057 4.697 4.640 -0.000 0.000 0.214 153 D C 0.175 176.676 176.300 0.334 0.000 1.093 153 D CA 0.037 54.166 54.000 0.215 0.000 0.837 153 D CB -0.226 40.692 40.800 0.196 0.000 0.948 153 D HN 0.095 nan 8.370 nan 0.000 0.507 154 Y N 1.593 121.944 120.300 0.084 0.000 2.304 154 Y HA 0.221 4.771 4.550 -0.000 0.000 0.327 154 Y C 1.022 176.938 175.900 0.027 0.000 1.209 154 Y CA -1.180 56.935 58.100 0.024 0.000 1.299 154 Y CB 0.453 38.886 38.460 -0.045 0.000 1.249 154 Y HN -0.154 nan 8.280 nan 0.000 0.519 155 Q N 2.772 122.645 119.800 0.122 0.000 2.288 155 Q HA 0.392 4.732 4.340 -0.000 0.000 0.254 155 Q C -1.169 174.891 176.000 0.100 0.000 0.932 155 Q CA -0.410 55.458 55.803 0.108 0.000 0.902 155 Q CB 0.527 29.322 28.738 0.094 0.000 1.203 155 Q HN 0.651 nan 8.270 nan 0.000 0.415 156 I N 3.041 123.678 120.570 0.112 0.000 2.342 156 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 156 I C -0.299 175.898 176.117 0.133 0.000 1.010 156 I CA -0.319 61.040 61.300 0.098 0.000 1.308 156 I CB 1.551 39.599 38.000 0.081 0.000 1.400 156 I HN 0.620 nan 8.210 nan 0.000 0.488 157 A N 6.482 129.401 122.820 0.165 0.000 2.343 157 A HA 0.805 5.125 4.320 -0.000 0.000 0.316 157 A C -0.849 176.815 177.584 0.134 0.000 1.104 157 A CA -0.530 51.614 52.037 0.178 0.000 0.768 157 A CB 1.320 20.523 19.000 0.338 0.000 1.213 157 A HN 0.432 nan 8.150 nan 0.000 0.456 158 V N 1.717 121.663 119.914 0.053 0.000 2.448 158 V HA 0.782 4.902 4.120 -0.000 0.000 0.295 158 V C 0.265 176.338 176.094 -0.035 0.000 1.025 158 V CA -0.261 62.047 62.300 0.013 0.000 0.859 158 V CB 1.410 33.273 31.823 0.068 0.000 0.988 158 V HN 1.012 nan 8.190 nan 0.000 0.431 159 T N 2.608 117.129 114.554 -0.056 0.000 2.864 159 T HA 0.897 5.246 4.350 -0.000 0.000 0.299 159 T C -0.433 174.226 174.700 -0.068 0.000 1.166 159 T CA 0.165 62.230 62.100 -0.059 0.000 1.007 159 T CB 1.998 70.861 68.868 -0.009 0.000 1.219 159 T HN 1.300 nan 8.240 nan 0.000 0.506 160 G N 1.131 109.902 108.800 -0.048 0.000 2.519 160 G HA2 0.470 4.430 3.960 -0.000 0.000 0.292 160 G HA3 0.470 4.430 3.960 -0.000 0.000 0.292 160 G C -2.137 172.761 174.900 -0.003 0.000 1.507 160 G CA -0.762 44.316 45.100 -0.038 0.000 0.806 160 G HN 1.006 nan 8.290 nan 0.000 0.523 161 H N 0.307 119.326 119.070 -0.084 0.000 2.472 161 H HA 0.772 5.327 4.556 -0.000 0.000 0.338 161 H C 0.874 176.190 175.328 -0.020 0.000 1.133 161 H CA 1.284 57.272 56.048 -0.100 0.000 1.216 161 H CB 1.714 31.456 29.762 -0.034 0.000 1.497 161 H HN 1.318 nan 8.280 nan 0.000 0.500 162 S N 2.217 117.600 115.700 -0.528 0.000 4.074 162 S HA -0.304 4.166 4.470 -0.000 0.000 0.626 162 S C 1.197 175.729 174.600 -0.114 0.000 1.989 162 S CA 0.955 58.980 58.200 -0.291 0.000 4.158 162 S CB -1.470 61.613 63.200 -0.195 0.000 0.211 162 S HN 0.799 nan 8.310 nan 0.000 0.599 163 L N 2.777 123.996 121.223 -0.006 0.000 2.079 163 L HA 0.160 4.500 4.340 -0.000 0.000 0.210 163 L C 2.454 179.326 176.870 0.003 0.000 1.081 163 L CA 3.089 57.947 54.840 0.029 0.000 0.752 163 L CB -1.366 40.798 42.059 0.175 0.000 0.896 163 L HN 0.759 nan 8.230 nan 0.000 0.433 164 G N -1.301 107.501 108.800 0.004 0.000 2.448 164 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 164 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 164 G C 1.493 176.380 174.900 -0.022 0.000 1.127 164 G CA 0.570 45.670 45.100 -0.000 0.000 0.766 164 G HN 0.593 nan 8.290 nan 0.000 0.552 165 G N 1.023 109.781 108.800 -0.069 0.000 2.402 165 G HA2 0.091 4.051 3.960 -0.000 0.000 0.216 165 G HA3 0.091 4.051 3.960 -0.000 0.000 0.216 165 G C 2.037 176.882 174.900 -0.093 0.000 1.162 165 G CA 1.397 46.448 45.100 -0.081 0.000 0.777 165 G HN 0.576 nan 8.290 nan 0.000 0.539 166 A N 1.422 124.130 122.820 -0.186 0.000 1.865 166 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 166 A C 2.841 180.385 177.584 -0.067 0.000 1.191 166 A CA 2.513 54.380 52.037 -0.284 0.000 0.623 166 A CB -0.975 17.543 19.000 -0.803 0.000 0.826 166 A HN 0.849 nan 8.150 nan 0.000 0.444 167 A N -0.388 122.459 122.820 0.044 0.000 1.940 167 A HA 0.136 4.456 4.320 -0.000 0.000 0.219 167 A C 2.457 180.197 177.584 0.260 0.000 1.176 167 A CA 2.182 54.348 52.037 0.215 0.000 0.631 167 A CB -0.903 18.233 19.000 0.226 0.000 0.814 167 A HN 1.103 nan 8.150 nan 0.000 0.446 168 A N -0.767 122.137 122.820 0.139 0.000 1.968 168 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 168 A C 2.074 179.751 177.584 0.154 0.000 1.169 168 A CA 1.516 53.638 52.037 0.143 0.000 0.638 168 A CB -0.482 18.537 19.000 0.032 0.000 0.812 168 A HN 0.652 nan 8.150 nan 0.000 0.446 169 L N -0.158 121.114 121.223 0.082 0.000 2.027 169 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 169 L C 2.186 179.129 176.870 0.123 0.000 1.074 169 L CA 1.687 56.558 54.840 0.051 0.000 0.745 169 L CB -0.541 41.536 42.059 0.030 0.000 0.898 169 L HN 0.381 nan 8.230 nan 0.000 0.433 170 L N -1.935 119.357 121.223 0.114 0.000 2.093 170 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 170 L C 2.433 179.375 176.870 0.120 0.000 1.085 170 L CA 1.222 56.054 54.840 -0.014 0.000 0.755 170 L CB -0.594 41.392 42.059 -0.121 0.000 0.904 170 L HN 0.240 nan 8.230 nan 0.000 0.435 171 F N 0.780 120.896 119.950 0.277 0.000 2.146 171 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 171 F C 2.338 178.314 175.800 0.293 0.000 1.096 171 F CA 1.426 59.684 58.000 0.429 0.000 1.275 171 F CB -0.355 38.888 39.000 0.405 0.000 1.008 171 F HN 0.003 nan 8.300 nan 0.000 0.480 172 G N 0.639 109.709 108.800 0.451 0.000 2.459 172 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 172 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 172 G C 1.745 176.877 174.900 0.386 0.000 1.183 172 G CA 1.350 46.678 45.100 0.381 0.000 0.776 172 G HN 0.428 nan 8.290 nan 0.000 0.552 173 I N 1.413 122.193 120.570 0.350 0.000 2.163 173 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 173 I C 2.750 179.007 176.117 0.235 0.000 1.085 173 I CA 1.491 62.973 61.300 0.304 0.000 1.347 173 I CB -0.346 37.856 38.000 0.337 0.000 1.044 173 I HN 0.344 nan 8.210 nan 0.000 0.408 174 N N 1.785 120.600 118.700 0.191 0.000 2.036 174 N HA -0.228 4.511 4.740 -0.000 0.000 0.195 174 N C 2.063 177.643 175.510 0.116 0.000 1.037 174 N CA 1.666 54.763 53.050 0.078 0.000 0.855 174 N CB -0.257 38.177 38.487 -0.088 0.000 1.033 174 N HN 0.329 nan 8.380 nan 0.000 0.423 175 L N 0.794 122.120 121.223 0.171 0.000 2.042 175 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 175 L C 2.878 179.885 176.870 0.229 0.000 1.076 175 L CA 1.388 56.386 54.840 0.264 0.000 0.749 175 L CB -0.417 41.815 42.059 0.288 0.000 0.893 175 L HN 0.295 nan 8.230 nan 0.000 0.432 176 K N 0.101 120.575 120.400 0.124 0.000 2.062 176 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 176 K C 1.991 178.560 176.600 -0.053 0.000 1.051 176 K CA 1.519 57.786 56.287 -0.034 0.000 0.941 176 K CB 0.033 32.367 32.500 -0.278 0.000 0.719 176 K HN 0.282 nan 8.250 nan 0.000 0.440 177 V N -1.306 118.611 119.914 0.006 0.000 2.759 177 V HA -0.096 4.024 4.120 -0.000 0.000 0.256 177 V C 0.609 176.716 176.094 0.021 0.000 1.080 177 V CA 1.728 64.046 62.300 0.030 0.000 1.101 177 V CB -0.661 31.244 31.823 0.138 0.000 0.698 177 V HN 0.253 nan 8.190 nan 0.000 0.477 178 N N 0.798 119.525 118.700 0.045 0.000 2.295 178 N HA 0.471 5.211 4.740 -0.000 0.000 0.221 178 N C 1.105 176.564 175.510 -0.085 0.000 1.129 178 N CA 0.596 53.663 53.050 0.029 0.000 0.836 178 N CB 0.703 39.255 38.487 0.108 0.000 1.040 178 N HN 0.726 nan 8.380 nan 0.000 0.494 179 G N -0.050 108.681 108.800 -0.115 0.000 2.159 179 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.227 179 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.227 179 G C -0.217 174.498 174.900 -0.309 0.000 0.986 179 G CA -0.212 44.748 45.100 -0.233 0.000 0.651 179 G HN 0.468 nan 8.290 nan 0.000 0.523 180 H N -0.803 118.279 119.070 0.020 0.000 2.713 180 H HA 0.683 5.239 4.556 -0.000 0.000 0.340 180 H C -0.665 174.672 175.328 0.016 0.000 1.271 180 H CA -0.341 55.731 56.048 0.039 0.000 1.306 180 H CB 1.596 31.406 29.762 0.080 0.000 1.839 180 H HN 0.035 nan 8.280 nan 0.000 0.627 181 D N 1.510 122.016 120.400 0.177 0.000 2.613 181 D HA 0.192 4.831 4.640 -0.000 0.000 0.312 181 D C -2.594 173.786 176.300 0.134 0.000 1.202 181 D CA -1.915 52.139 54.000 0.090 0.000 0.825 181 D CB 0.190 41.029 40.800 0.065 0.000 1.113 181 D HN 0.258 nan 8.370 nan 0.000 0.502 182 P HA 0.169 nan 4.420 nan 0.000 0.274 182 P C -0.286 177.137 177.300 0.205 0.000 1.231 182 P CA -0.730 62.484 63.100 0.191 0.000 0.790 182 P CB 1.300 33.140 31.700 0.234 0.000 0.951 183 L N 3.000 124.321 121.223 0.164 0.000 2.312 183 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 183 L C -0.856 176.049 176.870 0.059 0.000 1.070 183 L CA -0.365 54.558 54.840 0.139 0.000 0.805 183 L CB 1.173 43.311 42.059 0.132 0.000 1.174 183 L HN 0.091 nan 8.230 nan 0.000 0.434 184 V N 5.792 125.710 119.914 0.007 0.000 2.483 184 V HA 0.540 4.660 4.120 -0.000 0.000 0.297 184 V C -0.700 175.354 176.094 -0.065 0.000 1.027 184 V CA -0.591 61.665 62.300 -0.072 0.000 0.855 184 V CB 1.796 33.505 31.823 -0.190 0.000 0.995 184 V HN 0.557 nan 8.190 nan 0.000 0.424 185 V N 4.292 124.131 119.914 -0.125 0.000 2.483 185 V HA 0.636 4.756 4.120 -0.000 0.000 0.297 185 V C 0.166 176.219 176.094 -0.068 0.000 1.027 185 V CA -0.363 61.887 62.300 -0.084 0.000 0.855 185 V CB 2.280 33.913 31.823 -0.317 0.000 0.995 185 V HN 1.001 nan 8.190 nan 0.000 0.424 186 T N 3.340 117.872 114.554 -0.037 0.000 2.918 186 T HA 0.890 5.240 4.350 -0.000 0.000 0.286 186 T C -0.958 173.693 174.700 -0.082 0.000 1.026 186 T CA -0.742 61.323 62.100 -0.059 0.000 1.031 186 T CB 1.786 70.617 68.868 -0.061 0.000 1.046 186 T HN 0.256 nan 8.240 nan 0.000 0.479 187 L N 1.674 122.805 121.223 -0.154 0.000 2.381 187 L HA 0.686 5.026 4.340 -0.000 0.000 0.274 187 L C 1.042 177.634 176.870 -0.462 0.000 0.988 187 L CA -0.299 54.317 54.840 -0.374 0.000 0.824 187 L CB 1.818 43.633 42.059 -0.407 0.000 1.263 187 L HN 1.154 nan 8.230 nan 0.000 0.410 188 G N 1.173 109.694 108.800 -0.466 0.000 2.249 188 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.273 188 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.273 188 G C 0.134 175.039 174.900 0.007 0.000 1.036 188 G CA 0.279 45.331 45.100 -0.080 0.000 0.824 188 G HN 0.660 nan 8.290 nan 0.000 0.504 189 Q N 0.609 120.392 119.800 -0.028 0.000 2.288 189 Q HA 0.401 4.741 4.340 -0.000 0.000 0.258 189 Q C -1.872 174.144 176.000 0.027 0.000 0.957 189 Q CA -1.850 53.923 55.803 -0.049 0.000 0.919 189 Q CB 1.569 30.277 28.738 -0.050 0.000 1.185 189 Q HN 0.312 nan 8.270 nan 0.000 0.408 190 P HA 0.073 nan 4.420 nan 0.000 0.273 190 P C -0.298 176.955 177.300 -0.079 0.000 1.250 190 P CA 0.000 63.045 63.100 -0.092 0.000 0.793 190 P CB 0.680 32.277 31.700 -0.172 0.000 1.011 191 I N 0.311 120.795 120.570 -0.144 0.000 2.529 191 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 191 I C 1.681 177.840 176.117 0.070 0.000 1.082 191 I CA -0.106 61.058 61.300 -0.227 0.000 1.406 191 I CB 0.679 38.503 38.000 -0.292 0.000 1.405 191 I HN 0.075 nan 8.210 nan 0.000 0.548 192 V N 4.885 124.882 119.914 0.137 0.000 3.263 192 V HA 0.287 4.407 4.120 -0.000 0.000 0.248 192 V C 0.924 177.134 176.094 0.192 0.000 1.145 192 V CA 1.001 63.400 62.300 0.166 0.000 1.107 192 V CB 0.243 32.031 31.823 -0.058 0.000 0.797 192 V HN 0.969 nan 8.190 nan 0.000 0.467 193 G N 0.158 109.046 108.800 0.146 0.000 2.782 193 G HA2 0.375 4.334 3.960 -0.000 0.000 0.304 193 G HA3 0.375 4.334 3.960 -0.000 0.000 0.304 193 G C -1.020 173.920 174.900 0.068 0.000 1.315 193 G CA -0.281 44.783 45.100 -0.060 0.000 0.791 193 G HN 0.241 nan 8.290 nan 0.000 0.519 194 N N -0.823 117.879 118.700 0.003 0.000 2.495 194 N HA 0.478 5.218 4.740 -0.000 0.000 0.294 194 N C 1.557 177.156 175.510 0.148 0.000 1.276 194 N CA 0.287 53.326 53.050 -0.018 0.000 0.973 194 N CB 0.617 39.048 38.487 -0.094 0.000 1.143 194 N HN 0.666 nan 8.380 nan 0.000 0.589 195 A N -0.597 122.281 122.820 0.097 0.000 1.902 195 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 195 A C 2.067 179.752 177.584 0.168 0.000 1.181 195 A CA 2.102 54.217 52.037 0.131 0.000 0.623 195 A CB -1.640 17.407 19.000 0.077 0.000 0.818 195 A HN 0.811 nan 8.150 nan 0.000 0.443 196 G N -1.169 107.719 108.800 0.146 0.000 2.421 196 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 196 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 196 G C 1.460 176.509 174.900 0.249 0.000 1.171 196 G CA 1.130 46.326 45.100 0.160 0.000 0.775 196 G HN 0.501 nan 8.290 nan 0.000 0.543 197 F N 2.545 122.568 119.950 0.121 0.000 2.065 197 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 197 F C 2.813 178.793 175.800 0.300 0.000 1.112 197 F CA 1.750 59.874 58.000 0.206 0.000 1.212 197 F CB -0.427 38.647 39.000 0.124 0.000 0.975 197 F HN 0.233 nan 8.300 nan 0.000 0.476 198 A N 0.468 123.454 122.820 0.276 0.000 1.908 198 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 198 A C 2.047 179.701 177.584 0.115 0.000 1.181 198 A CA 1.991 54.126 52.037 0.162 0.000 0.627 198 A CB -0.938 18.220 19.000 0.265 0.000 0.818 198 A HN 0.576 nan 8.150 nan 0.000 0.445 199 N N -1.922 116.887 118.700 0.181 0.000 2.354 199 N HA -0.128 4.611 4.740 -0.000 0.000 0.179 199 N C 1.434 177.039 175.510 0.158 0.000 1.021 199 N CA 1.236 54.395 53.050 0.181 0.000 0.887 199 N CB -0.404 38.221 38.487 0.230 0.000 0.974 199 N HN 0.821 nan 8.380 nan 0.000 0.437 200 W N 1.995 123.275 121.300 -0.033 0.000 2.388 200 W HA -0.048 4.612 4.660 -0.000 0.000 0.294 200 W C 1.760 178.214 176.519 -0.109 0.000 1.212 200 W CA 0.669 57.977 57.345 -0.061 0.000 1.271 200 W CB -0.295 29.134 29.460 -0.053 0.000 1.126 200 W HN -0.266 nan 8.180 nan 0.000 0.535 201 V N 1.247 121.001 119.914 -0.266 0.000 2.343 201 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 201 V C 2.021 178.015 176.094 -0.166 0.000 1.051 201 V CA 2.394 64.451 62.300 -0.406 0.000 1.036 201 V CB -0.926 30.661 31.823 -0.394 0.000 0.654 201 V HN 0.052 nan 8.190 nan 0.000 0.451 202 D N 0.063 120.452 120.400 -0.018 0.000 2.097 202 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 202 D C 2.393 178.730 176.300 0.061 0.000 0.989 202 D CA 1.326 55.425 54.000 0.165 0.000 0.827 202 D CB -0.223 40.659 40.800 0.136 0.000 0.966 202 D HN 0.291 nan 8.370 nan 0.000 0.456 203 K N 0.244 120.602 120.400 -0.070 0.000 2.063 203 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 203 K C 2.137 178.585 176.600 -0.255 0.000 1.048 203 K CA 0.558 56.770 56.287 -0.125 0.000 0.928 203 K CB -0.965 31.476 32.500 -0.098 0.000 0.713 203 K HN 0.177 nan 8.250 nan 0.000 0.442 204 L N -0.596 120.342 121.223 -0.475 0.000 2.046 204 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 204 L C 2.000 178.466 176.870 -0.673 0.000 1.077 204 L CA 1.875 56.320 54.840 -0.657 0.000 0.747 204 L CB -0.390 41.064 42.059 -1.009 0.000 0.896 204 L HN 0.216 nan 8.230 nan 0.000 0.432 205 F N -2.448 117.191 119.950 -0.519 0.000 2.374 205 F HA 0.084 4.611 4.527 -0.000 0.000 0.291 205 F C 1.487 176.837 175.800 -0.750 0.000 1.084 205 F CA 0.630 58.204 58.000 -0.711 0.000 1.413 205 F CB -0.040 38.337 39.000 -1.038 0.000 1.099 205 F HN -0.058 nan 8.300 nan 0.000 0.534 206 F N -0.914 119.035 119.950 -0.002 0.000 2.678 206 F HA 0.412 4.939 4.527 -0.000 0.000 0.305 206 F C 1.801 177.558 175.800 -0.072 0.000 1.090 206 F CA 0.267 58.242 58.000 -0.041 0.000 1.272 206 F CB -0.058 38.910 39.000 -0.053 0.000 1.060 206 F HN 0.015 nan 8.300 nan 0.000 0.576 207 G N 0.896 109.705 108.800 0.015 0.000 2.179 207 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 207 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 207 G C 0.088 174.982 174.900 -0.010 0.000 0.977 207 G CA 0.445 45.531 45.100 -0.023 0.000 0.641 207 G HN 0.549 nan 8.290 nan 0.000 0.533 208 Q N -1.305 118.502 119.800 0.011 0.000 2.756 208 Q HA 0.612 4.952 4.340 -0.000 0.000 0.295 208 Q C -1.068 174.913 176.000 -0.032 0.000 0.903 208 Q CA -1.041 54.753 55.803 -0.015 0.000 0.768 208 Q CB 0.735 29.456 28.738 -0.029 0.000 1.472 208 Q HN 0.284 nan 8.270 nan 0.000 0.416 209 E N 0.263 120.420 120.200 -0.072 0.000 2.349 209 E HA 0.104 4.454 4.350 -0.000 0.000 0.262 209 E C -0.348 176.023 176.600 -0.382 0.000 1.088 209 E CA 0.004 56.301 56.400 -0.172 0.000 0.899 209 E CB 0.783 30.423 29.700 -0.100 0.000 1.044 209 E HN 0.674 nan 8.360 nan 0.000 0.420 210 N N 1.179 119.444 118.700 -0.725 0.000 2.714 210 N HA -0.104 4.636 4.740 -0.000 0.000 0.253 210 N C -2.554 172.737 175.510 -0.365 0.000 1.024 210 N CA 0.108 52.693 53.050 -0.775 0.000 0.726 210 N CB -1.102 36.836 38.487 -0.915 0.000 0.908 210 N HN 0.326 nan 8.380 nan 0.000 0.542 211 P HA 0.256 nan 4.420 nan 0.000 0.274 211 P C -0.507 176.640 177.300 -0.255 0.000 1.237 211 P CA -0.101 62.857 63.100 -0.237 0.000 0.793 211 P CB 0.514 32.050 31.700 -0.274 0.000 0.977 212 D N 1.234 121.525 120.400 -0.181 0.000 2.338 212 D HA 0.106 4.746 4.640 -0.000 0.000 0.255 212 D C 0.454 176.631 176.300 -0.206 0.000 1.237 212 D CA -0.224 53.686 54.000 -0.151 0.000 0.883 212 D CB 0.069 40.821 40.800 -0.080 0.000 1.087 212 D HN 0.093 nan 8.370 nan 0.000 0.485 213 V N 1.775 121.547 119.914 -0.237 0.000 2.915 213 V HA 0.189 4.309 4.120 -0.000 0.000 0.364 213 V C 1.241 177.279 176.094 -0.094 0.000 1.354 213 V CA 0.231 62.370 62.300 -0.268 0.000 1.213 213 V CB -0.339 31.187 31.823 -0.494 0.000 1.268 213 V HN 0.442 nan 8.190 nan 0.000 0.557 214 S N -0.265 115.409 115.700 -0.044 0.000 2.496 214 S HA 0.212 4.682 4.470 -0.000 0.000 0.224 214 S C 0.748 175.391 174.600 0.071 0.000 0.996 214 S CA 0.172 58.380 58.200 0.012 0.000 0.927 214 S CB -0.213 62.990 63.200 0.005 0.000 0.774 214 S HN 0.725 nan 8.310 nan 0.000 0.524 215 K N 1.144 121.591 120.400 0.079 0.000 2.207 215 K HA 0.603 4.922 4.320 -0.000 0.000 0.255 215 K C -1.293 175.426 176.600 0.199 0.000 0.941 215 K CA -0.792 55.567 56.287 0.121 0.000 0.825 215 K CB 2.342 34.889 32.500 0.079 0.000 1.119 215 K HN -0.046 nan 8.250 nan 0.000 0.430 216 V N 2.389 122.439 119.914 0.226 0.000 2.498 216 V HA 0.269 4.389 4.120 -0.000 0.000 0.279 216 V C 0.023 176.175 176.094 0.096 0.000 1.048 216 V CA -0.136 62.315 62.300 0.250 0.000 0.967 216 V CB 0.876 32.766 31.823 0.112 0.000 0.988 216 V HN 0.994 nan 8.190 nan 0.000 0.473 217 S N 2.728 118.485 115.700 0.094 0.000 2.596 217 S HA 0.667 5.137 4.470 -0.000 0.000 0.270 217 S C 0.508 175.100 174.600 -0.013 0.000 1.155 217 S CA -0.122 58.088 58.200 0.015 0.000 0.827 217 S CB 1.943 65.170 63.200 0.044 0.000 1.130 217 S HN 0.789 nan 8.310 nan 0.000 0.467 218 K N 0.141 120.517 120.400 -0.040 0.000 2.283 218 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 218 K C 1.088 177.699 176.600 0.018 0.000 1.048 218 K CA 1.855 58.118 56.287 -0.039 0.000 0.948 218 K CB -1.125 31.356 32.500 -0.033 0.000 0.742 218 K HN 0.719 nan 8.250 nan 0.000 0.458 219 D N -0.673 119.745 120.400 0.030 0.000 2.348 219 D HA 0.021 4.661 4.640 -0.000 0.000 0.211 219 D C 0.651 176.985 176.300 0.056 0.000 0.998 219 D CA 0.068 54.092 54.000 0.040 0.000 0.873 219 D CB 0.111 40.928 40.800 0.028 0.000 0.925 219 D HN 0.455 nan 8.370 nan 0.000 0.524 220 R N 1.396 121.945 120.500 0.081 0.000 2.490 220 R HA 0.063 4.403 4.340 -0.000 0.000 0.280 220 R C 0.591 176.935 176.300 0.073 0.000 1.077 220 R CA 0.110 56.250 56.100 0.067 0.000 1.065 220 R CB 0.517 30.862 30.300 0.075 0.000 1.003 220 R HN -0.316 nan 8.270 nan 0.000 0.470 221 K N 4.241 124.627 120.400 -0.022 0.000 2.483 221 K HA 0.168 4.488 4.320 -0.000 0.000 0.206 221 K C -0.893 175.648 176.600 -0.098 0.000 1.086 221 K CA -0.270 56.064 56.287 0.079 0.000 1.052 221 K CB 0.505 33.120 32.500 0.192 0.000 0.904 221 K HN 0.373 nan 8.250 nan 0.000 0.557 222 L N 0.336 121.319 121.223 -0.401 0.000 2.470 222 L HA 0.465 4.804 4.340 -0.000 0.000 0.268 222 L C -2.018 174.591 176.870 -0.435 0.000 0.964 222 L CA -0.698 53.848 54.840 -0.490 0.000 0.839 222 L CB 1.315 42.832 42.059 -0.904 0.000 1.276 222 L HN 0.027 nan 8.230 nan 0.000 0.403 223 Y N 3.805 124.122 120.300 0.028 0.000 2.433 223 Y HA 0.611 5.161 4.550 -0.000 0.000 0.337 223 Y C -0.291 175.602 175.900 -0.012 0.000 1.026 223 Y CA -0.782 57.375 58.100 0.096 0.000 1.037 223 Y CB 2.160 40.772 38.460 0.253 0.000 1.245 223 Y HN 0.364 nan 8.280 nan 0.000 0.443 224 R N 4.167 124.733 120.500 0.109 0.000 2.275 224 R HA 0.531 4.871 4.340 -0.000 0.000 0.326 224 R C -1.067 175.247 176.300 0.023 0.000 0.973 224 R CA -0.514 55.593 56.100 0.013 0.000 0.854 224 R CB 1.187 31.445 30.300 -0.072 0.000 1.156 224 R HN 0.638 nan 8.270 nan 0.000 0.487 225 I N 2.845 123.431 120.570 0.026 0.000 2.441 225 I HA 0.170 4.340 4.170 -0.000 0.000 0.287 225 I C 0.805 177.071 176.117 0.248 0.000 1.049 225 I CA 0.064 61.416 61.300 0.087 0.000 1.381 225 I CB 1.307 39.369 38.000 0.103 0.000 1.409 225 I HN 0.586 nan 8.210 nan 0.000 0.523 226 T N 1.301 116.061 114.554 0.345 0.000 2.901 226 T HA 0.532 4.882 4.350 -0.000 0.000 0.293 226 T C -0.986 173.908 174.700 0.323 0.000 1.084 226 T CA -0.838 61.552 62.100 0.484 0.000 1.008 226 T CB 2.091 71.197 68.868 0.397 0.000 1.170 226 T HN 0.597 nan 8.240 nan 0.000 0.509 227 H N 0.477 119.566 119.070 0.032 0.000 2.679 227 H HA 0.524 5.079 4.556 -0.000 0.000 0.360 227 H C -0.091 175.087 175.328 -0.250 0.000 1.105 227 H CA -0.972 54.798 56.048 -0.463 0.000 1.196 227 H CB 1.700 30.957 29.762 -0.843 0.000 1.636 227 H HN 0.894 nan 8.280 nan 0.000 0.531 228 R N 2.460 122.401 120.500 -0.932 0.000 2.523 228 R HA 0.175 4.515 4.340 -0.000 0.000 0.281 228 R C 0.649 176.582 176.300 -0.612 0.000 0.969 228 R CA 1.721 57.536 56.100 -0.474 0.000 1.093 228 R CB -0.471 29.619 30.300 -0.350 0.000 0.917 228 R HN 1.093 nan 8.270 nan 0.000 0.408 229 G N 3.093 111.783 108.800 -0.182 0.000 2.225 229 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.254 229 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.254 229 G C -0.177 174.694 174.900 -0.049 0.000 0.988 229 G CA 0.382 45.397 45.100 -0.140 0.000 0.625 229 G HN 0.750 nan 8.290 nan 0.000 0.527 230 D N 0.951 121.348 120.400 -0.005 0.000 2.365 230 D HA 0.457 5.097 4.640 -0.000 0.000 0.237 230 D C 1.834 178.224 176.300 0.150 0.000 1.190 230 D CA -0.298 53.791 54.000 0.149 0.000 0.867 230 D CB 0.096 41.095 40.800 0.331 0.000 1.050 230 D HN 0.537 nan 8.370 nan 0.000 0.491 231 I N 1.434 122.066 120.570 0.103 0.000 3.428 231 I HA -0.010 4.160 4.170 -0.000 0.000 0.286 231 I C 1.443 177.579 176.117 0.032 0.000 1.287 231 I CA -0.076 61.290 61.300 0.110 0.000 1.396 231 I CB 0.009 38.100 38.000 0.153 0.000 1.062 231 I HN 0.128 nan 8.210 nan 0.000 0.471 232 V N 1.917 121.809 119.914 -0.036 0.000 2.407 232 V HA -0.098 4.022 4.120 -0.000 0.000 0.248 232 V C -0.166 175.922 176.094 -0.010 0.000 1.055 232 V CA 1.852 64.067 62.300 -0.141 0.000 1.049 232 V CB -1.778 29.792 31.823 -0.422 0.000 0.662 232 V HN 0.408 nan 8.190 nan 0.000 0.455 233 P HA -0.084 nan 4.420 nan 0.000 0.239 233 P C 1.223 178.680 177.300 0.262 0.000 1.184 233 P CA 1.036 64.280 63.100 0.240 0.000 0.760 233 P CB -0.069 31.789 31.700 0.264 0.000 0.884 234 Q N -1.140 118.739 119.800 0.131 0.000 2.247 234 Q HA 0.122 4.462 4.340 -0.000 0.000 0.211 234 Q C 0.474 176.454 176.000 -0.032 0.000 0.861 234 Q CA -0.028 55.864 55.803 0.148 0.000 0.949 234 Q CB 0.609 29.516 28.738 0.282 0.000 1.115 234 Q HN 0.162 nan 8.270 nan 0.000 0.507 235 V N -1.677 118.096 119.914 -0.234 0.000 2.612 235 V HA 0.584 4.703 4.120 -0.000 0.000 0.301 235 V C -2.838 173.084 176.094 -0.285 0.000 1.046 235 V CA -3.098 58.905 62.300 -0.494 0.000 0.946 235 V CB 1.331 32.751 31.823 -0.673 0.000 1.003 235 V HN -0.153 nan 8.190 nan 0.000 0.459 236 P HA 0.271 nan 4.420 nan 0.000 0.271 236 P C -0.488 176.624 177.300 -0.314 0.000 1.216 236 P CA 0.165 62.995 63.100 -0.450 0.000 0.776 236 P CB 0.082 31.552 31.700 -0.384 0.000 0.881 237 F N 1.808 121.464 119.950 -0.490 0.000 2.783 237 F HA 0.182 4.709 4.527 -0.000 0.000 0.338 237 F C 0.316 175.842 175.800 -0.457 0.000 1.178 237 F CA -0.322 57.425 58.000 -0.422 0.000 1.343 237 F CB -0.167 38.528 39.000 -0.508 0.000 1.496 237 F HN 0.157 nan 8.300 nan 0.000 0.583 238 W N -0.093 121.365 121.300 0.264 0.000 2.839 238 W HA 0.229 4.889 4.660 -0.000 0.000 0.334 238 W C 0.603 177.257 176.519 0.225 0.000 1.064 238 W CA -1.202 56.283 57.345 0.233 0.000 1.236 238 W CB 0.703 30.309 29.460 0.244 0.000 1.405 238 W HN 0.185 nan 8.180 nan 0.000 0.478 239 D N 0.556 121.173 120.400 0.361 0.000 2.350 239 D HA 0.009 4.649 4.640 -0.000 0.000 0.216 239 D C 1.844 178.238 176.300 0.156 0.000 0.968 239 D CA 1.391 55.518 54.000 0.213 0.000 0.894 239 D CB 0.005 40.892 40.800 0.144 0.000 0.909 239 D HN 0.478 nan 8.370 nan 0.000 0.520 240 G N -0.930 107.953 108.800 0.139 0.000 2.408 240 G HA2 0.039 3.999 3.960 -0.000 0.000 0.217 240 G HA3 0.039 3.999 3.960 -0.000 0.000 0.217 240 G C 0.505 175.347 174.900 -0.097 0.000 1.150 240 G CA 0.241 45.327 45.100 -0.025 0.000 0.776 240 G HN 0.564 nan 8.290 nan 0.000 0.542 241 Y N 1.058 121.436 120.300 0.130 0.000 2.442 241 Y HA 0.340 4.890 4.550 -0.000 0.000 0.330 241 Y C 0.738 176.686 175.900 0.080 0.000 1.129 241 Y CA -0.059 58.105 58.100 0.107 0.000 1.365 241 Y CB 0.691 39.223 38.460 0.121 0.000 1.233 241 Y HN 0.291 nan 8.280 nan 0.000 0.529 242 Q N 2.602 122.528 119.800 0.209 0.000 2.345 242 Q HA 0.363 4.702 4.340 -0.000 0.000 0.275 242 Q C -1.570 174.550 176.000 0.200 0.000 1.063 242 Q CA -1.078 54.828 55.803 0.171 0.000 0.819 242 Q CB 1.532 30.364 28.738 0.156 0.000 1.356 242 Q HN 0.622 nan 8.270 nan 0.000 0.418 243 H N 0.560 119.756 119.070 0.209 0.000 2.607 243 H HA 0.235 4.791 4.556 -0.000 0.000 0.367 243 H C 0.462 175.899 175.328 0.181 0.000 1.181 243 H CA 0.054 56.218 56.048 0.195 0.000 1.402 243 H CB 1.046 30.889 29.762 0.136 0.000 1.474 243 H HN 0.893 nan 8.280 nan 0.000 0.596 244 C N 0.934 120.436 119.300 0.337 0.000 2.553 244 C HA 0.468 4.928 4.460 -0.000 0.000 0.345 244 C C 1.028 176.109 174.990 0.152 0.000 1.369 244 C CA -0.871 58.271 59.018 0.206 0.000 2.447 244 C CB 0.046 27.868 27.740 0.137 0.000 2.358 244 C HN 0.671 nan 8.230 nan 0.000 0.676 245 S N -0.311 115.451 115.700 0.103 0.000 2.624 245 S HA 0.615 5.085 4.470 -0.000 0.000 0.263 245 S C 1.050 175.624 174.600 -0.043 0.000 1.287 245 S CA 0.556 58.728 58.200 -0.047 0.000 0.990 245 S CB 0.851 63.901 63.200 -0.251 0.000 0.950 245 S HN 2.176 nan 8.310 nan 0.000 0.561 246 G N 0.420 109.123 108.800 -0.160 0.000 2.173 246 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.142 246 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.142 246 G C -0.260 174.636 174.900 -0.006 0.000 1.019 246 G CA -0.269 44.789 45.100 -0.070 0.000 0.699 246 G HN 0.662 nan 8.290 nan 0.000 0.495 247 E N 0.600 120.778 120.200 -0.037 0.000 2.384 247 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 247 E C -0.286 176.338 176.600 0.040 0.000 1.012 247 E CA -0.155 56.241 56.400 -0.008 0.000 0.901 247 E CB 0.885 30.566 29.700 -0.032 0.000 0.967 247 E HN 0.104 nan 8.360 nan 0.000 0.435 248 V N 6.134 126.074 119.914 0.043 0.000 2.444 248 V HA 0.308 4.428 4.120 -0.000 0.000 0.294 248 V C -0.835 175.314 176.094 0.093 0.000 1.022 248 V CA -0.693 61.603 62.300 -0.007 0.000 0.850 248 V CB 1.026 32.663 31.823 -0.311 0.000 0.992 248 V HN 0.554 nan 8.190 nan 0.000 0.426 249 F N 5.990 125.916 119.950 -0.040 0.000 2.444 249 F HA 0.643 5.170 4.527 -0.000 0.000 0.342 249 F C -0.059 175.736 175.800 -0.008 0.000 1.121 249 F CA -1.027 56.970 58.000 -0.006 0.000 0.997 249 F CB 1.304 40.305 39.000 0.001 0.000 1.130 249 F HN 0.377 nan 8.300 nan 0.000 0.454 250 I N 5.740 125.983 120.570 -0.545 0.000 2.281 250 I HA 0.100 4.270 4.170 -0.000 0.000 0.293 250 I C -0.159 175.498 176.117 -0.768 0.000 1.085 250 I CA -0.118 60.874 61.300 -0.514 0.000 1.257 250 I CB 0.230 37.931 38.000 -0.499 0.000 1.430 250 I HN 0.451 nan 8.210 nan 0.000 0.489 251 D N 7.801 127.939 120.400 -0.435 0.000 2.619 251 D HA 0.106 4.746 4.640 -0.000 0.000 0.224 251 D C -1.154 175.241 176.300 0.160 0.000 1.133 251 D CA 0.212 54.092 54.000 -0.200 0.000 1.017 251 D CB 0.166 41.087 40.800 0.202 0.000 1.077 251 D HN 0.465 nan 8.370 nan 0.000 0.503 252 W N 3.319 124.502 121.300 -0.195 0.000 3.464 252 W HA 0.164 4.824 4.660 -0.000 0.000 0.292 252 W C -2.452 174.056 176.519 -0.018 0.000 1.262 252 W CA -1.530 55.765 57.345 -0.082 0.000 1.202 252 W CB 1.752 31.159 29.460 -0.088 0.000 1.334 252 W HN -0.056 nan 8.180 nan 0.000 0.561 253 P HA 0.138 nan 4.420 nan 0.000 0.255 253 P C 0.132 177.386 177.300 -0.076 0.000 1.248 253 P CA 0.806 63.776 63.100 -0.216 0.000 0.807 253 P CB 1.153 32.652 31.700 -0.336 0.000 1.150 254 L N -0.649 120.539 121.223 -0.060 0.000 2.235 254 L HA 0.491 4.831 4.340 -0.000 0.000 0.260 254 L C 1.145 178.021 176.870 0.010 0.000 1.025 254 L CA -1.770 53.081 54.840 0.018 0.000 0.836 254 L CB 1.313 43.429 42.059 0.096 0.000 1.395 254 L HN -0.230 nan 8.230 nan 0.000 0.443 255 I N -2.388 118.131 120.570 -0.085 0.000 3.437 255 I HA 0.142 4.312 4.170 -0.000 0.000 0.274 255 I C -0.137 175.957 176.117 -0.038 0.000 1.215 255 I CA -0.297 60.872 61.300 -0.218 0.000 1.215 255 I CB -0.062 37.723 38.000 -0.358 0.000 1.441 255 I HN 0.625 nan 8.210 nan 0.000 0.677 256 H N -0.715 118.378 119.070 0.039 0.000 2.592 256 H HA -0.093 4.463 4.556 -0.000 0.000 0.323 256 H C -2.278 173.055 175.328 0.008 0.000 1.117 256 H CA -0.037 56.071 56.048 0.099 0.000 1.120 256 H CB -1.785 28.032 29.762 0.091 0.000 1.561 256 H HN 0.558 nan 8.280 nan 0.000 0.409 257 P HA 0.079 nan 4.420 nan 0.000 0.270 257 P C -2.326 174.769 177.300 -0.341 0.000 1.223 257 P CA -1.176 61.653 63.100 -0.453 0.000 0.785 257 P CB 0.558 32.062 31.700 -0.328 0.000 0.923 258 P HA 0.046 nan 4.420 nan 0.000 0.272 258 P C 1.082 178.261 177.300 -0.202 0.000 1.223 258 P CA -0.364 62.456 63.100 -0.466 0.000 0.784 258 P CB 0.328 31.661 31.700 -0.611 0.000 0.923 259 L N 3.021 124.124 121.223 -0.201 0.000 2.081 259 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 259 L C 2.071 178.986 176.870 0.074 0.000 1.080 259 L CA 2.619 57.426 54.840 -0.054 0.000 0.754 259 L CB -1.558 40.407 42.059 -0.157 0.000 0.893 259 L HN 0.451 nan 8.230 nan 0.000 0.433 260 S N -1.678 114.009 115.700 -0.021 0.000 2.474 260 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 260 S C 1.391 176.116 174.600 0.208 0.000 0.997 260 S CA 1.170 59.395 58.200 0.042 0.000 0.949 260 S CB -0.725 62.440 63.200 -0.058 0.000 0.766 260 S HN 0.613 nan 8.310 nan 0.000 0.517 261 N N 0.360 119.116 118.700 0.094 0.000 2.214 261 N HA 0.299 5.039 4.740 -0.000 0.000 0.214 261 N C -1.148 174.423 175.510 0.102 0.000 1.132 261 N CA -0.020 53.096 53.050 0.111 0.000 0.856 261 N CB 1.180 39.682 38.487 0.026 0.000 1.020 261 N HN 0.200 nan 8.380 nan 0.000 0.509 262 V N 1.571 121.585 119.914 0.166 0.000 2.384 262 V HA 0.498 4.618 4.120 -0.000 0.000 0.287 262 V C -0.152 176.058 176.094 0.193 0.000 1.020 262 V CA -0.925 61.462 62.300 0.145 0.000 0.850 262 V CB 1.325 33.288 31.823 0.232 0.000 0.987 262 V HN -0.031 nan 8.190 nan 0.000 0.436 263 V N 3.340 123.343 119.914 0.150 0.000 2.823 263 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 263 V C -0.434 175.731 176.094 0.119 0.000 1.072 263 V CA -1.031 61.334 62.300 0.108 0.000 0.937 263 V CB 2.306 34.150 31.823 0.035 0.000 1.013 263 V HN 0.635 nan 8.190 nan 0.000 0.430 264 M N 2.732 122.394 119.600 0.104 0.000 2.146 264 M HA 0.446 4.926 4.480 -0.000 0.000 0.357 264 M C -0.481 175.843 176.300 0.040 0.000 1.261 264 M CA -0.011 55.349 55.300 0.101 0.000 1.106 264 M CB 0.459 33.139 32.600 0.134 0.000 1.612 264 M HN 0.849 nan 8.290 nan 0.000 0.470 265 c N 3.332 121.944 118.600 0.019 0.000 2.351 265 c HA 0.470 5.040 4.570 -0.000 0.000 0.326 265 c C 0.572 174.633 174.090 -0.049 0.000 1.272 265 c CA -1.063 55.252 56.329 -0.024 0.000 1.650 265 c CB 1.489 43.972 42.510 -0.044 0.000 2.257 265 c HN 0.671 nan 8.230 nan 0.000 0.505 266 Q N 1.328 121.095 119.800 -0.054 0.000 2.368 266 Q HA 0.562 4.902 4.340 -0.000 0.000 0.237 266 Q C 0.575 176.541 176.000 -0.057 0.000 0.987 266 Q CA 0.730 56.489 55.803 -0.072 0.000 0.896 266 Q CB 1.024 29.728 28.738 -0.058 0.000 1.241 266 Q HN 1.231 nan 8.270 nan 0.000 0.485 267 G N 0.691 109.454 108.800 -0.062 0.000 2.707 267 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.686 267 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.686 267 G C -0.048 174.866 174.900 0.024 0.000 1.315 267 G CA -0.273 44.829 45.100 0.003 0.000 0.832 267 G HN 0.590 nan 8.290 nan 0.000 0.573 268 Q N -0.778 119.083 119.800 0.101 0.000 2.408 268 Q HA 0.401 4.741 4.340 -0.000 0.000 0.205 268 Q C 1.097 177.179 176.000 0.137 0.000 0.919 268 Q CA 1.049 56.935 55.803 0.138 0.000 0.932 268 Q CB 0.612 29.473 28.738 0.206 0.000 1.058 268 Q HN 0.685 nan 8.270 nan 0.000 0.517 269 S N 0.522 116.277 115.700 0.091 0.000 2.614 269 S HA 0.423 4.893 4.470 -0.000 0.000 0.275 269 S C -1.852 172.757 174.600 0.015 0.000 1.161 269 S CA -0.773 57.467 58.200 0.068 0.000 0.969 269 S CB 1.085 64.328 63.200 0.072 0.000 1.059 269 S HN 0.153 nan 8.310 nan 0.000 0.482 270 N N 3.387 122.069 118.700 -0.031 0.000 2.533 270 N HA 0.307 5.047 4.740 -0.000 0.000 0.289 270 N C 0.211 175.645 175.510 -0.126 0.000 1.103 270 N CA -0.507 52.497 53.050 -0.076 0.000 0.877 270 N CB 1.439 39.869 38.487 -0.095 0.000 1.419 270 N HN 0.569 nan 8.380 nan 0.000 0.517 271 K N 1.335 121.679 120.400 -0.093 0.000 2.442 271 K HA -0.012 4.308 4.320 -0.000 0.000 0.198 271 K C 0.823 177.335 176.600 -0.147 0.000 1.042 271 K CA 0.637 56.862 56.287 -0.103 0.000 0.958 271 K CB 0.393 32.857 32.500 -0.060 0.000 0.766 271 K HN 0.592 nan 8.250 nan 0.000 0.474 272 Q N -0.496 119.201 119.800 -0.171 0.000 2.432 272 Q HA -0.005 4.335 4.340 -0.000 0.000 0.205 272 Q C 1.177 176.903 176.000 -0.457 0.000 0.945 272 Q CA 0.405 56.094 55.803 -0.190 0.000 0.924 272 Q CB 0.156 28.824 28.738 -0.116 0.000 1.016 272 Q HN 0.269 nan 8.270 nan 0.000 0.503 273 c N -2.389 115.814 118.600 -0.662 0.000 3.933 273 c HA 0.302 4.872 4.570 -0.000 0.000 0.208 273 c C 2.326 175.745 174.090 -1.119 0.000 3.191 273 c CA -0.313 55.116 56.329 -1.499 0.000 1.883 273 c CB 0.020 42.029 42.510 -0.836 0.000 3.793 273 c HN 0.288 nan 8.230 nan 0.000 0.469 274 S N 0.494 115.825 115.700 -0.615 0.000 2.370 274 S HA -0.136 4.334 4.470 -0.000 0.000 0.226 274 S C 1.787 176.353 174.600 -0.056 0.000 1.033 274 S CA 1.819 59.964 58.200 -0.091 0.000 1.011 274 S CB -0.628 62.637 63.200 0.108 0.000 0.852 274 S HN 0.733 nan 8.310 nan 0.000 0.457 275 A N 0.299 123.069 122.820 -0.084 0.000 2.125 275 A HA 0.155 4.475 4.320 -0.000 0.000 0.219 275 A C 2.041 179.596 177.584 -0.049 0.000 1.156 275 A CA 1.441 53.464 52.037 -0.023 0.000 0.671 275 A CB -1.009 17.985 19.000 -0.009 0.000 0.794 275 A HN 0.596 nan 8.150 nan 0.000 0.459 276 G N -0.391 108.344 108.800 -0.108 0.000 2.920 276 G HA2 0.001 3.961 3.960 -0.000 0.000 0.208 276 G HA3 0.001 3.961 3.960 -0.000 0.000 0.208 276 G C 0.277 175.153 174.900 -0.040 0.000 1.159 276 G CA -0.432 44.617 45.100 -0.085 0.000 0.784 276 G HN 0.402 nan 8.290 nan 0.000 0.535 277 N N 1.900 120.594 118.700 -0.010 0.000 2.359 277 N HA 0.064 4.804 4.740 -0.000 0.000 0.261 277 N C 0.692 176.201 175.510 -0.002 0.000 1.267 277 N CA 0.559 53.623 53.050 0.023 0.000 0.864 277 N CB 0.960 39.482 38.487 0.058 0.000 1.063 277 N HN 0.303 nan 8.380 nan 0.000 0.474 278 T N -1.452 113.098 114.554 -0.006 0.000 2.909 278 T HA 0.174 4.524 4.350 -0.000 0.000 0.286 278 T C 1.500 176.186 174.700 -0.023 0.000 1.002 278 T CA -0.882 61.207 62.100 -0.020 0.000 1.074 278 T CB 1.140 69.997 68.868 -0.018 0.000 0.984 278 T HN 0.209 nan 8.240 nan 0.000 0.495 279 L N 3.123 124.326 121.223 -0.033 0.000 2.129 279 L HA -0.057 4.282 4.340 -0.000 0.000 0.212 279 L C 2.941 179.797 176.870 -0.024 0.000 1.087 279 L CA 2.207 57.027 54.840 -0.033 0.000 0.757 279 L CB -1.499 40.535 42.059 -0.043 0.000 0.896 279 L HN 0.854 nan 8.230 nan 0.000 0.434 280 L N -1.015 120.193 121.223 -0.025 0.000 2.056 280 L HA -0.221 4.118 4.340 -0.000 0.000 0.207 280 L C 2.626 179.480 176.870 -0.028 0.000 1.078 280 L CA 2.526 57.351 54.840 -0.025 0.000 0.749 280 L CB -1.203 40.840 42.059 -0.026 0.000 0.901 280 L HN 0.699 nan 8.230 nan 0.000 0.433 281 Q N -0.864 118.919 119.800 -0.028 0.000 2.084 281 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 281 Q C 2.324 178.306 176.000 -0.030 0.000 0.978 281 Q CA 2.312 58.093 55.803 -0.037 0.000 0.844 281 Q CB -0.260 28.460 28.738 -0.030 0.000 0.898 281 Q HN 0.735 nan 8.270 nan 0.000 0.426 282 Q N 0.065 119.859 119.800 -0.010 0.000 2.291 282 Q HA -0.047 4.293 4.340 -0.000 0.000 0.206 282 Q C 0.601 176.608 176.000 0.012 0.000 0.976 282 Q CA 0.164 55.974 55.803 0.011 0.000 0.875 282 Q CB -0.046 28.707 28.738 0.024 0.000 0.927 282 Q HN 0.147 nan 8.270 nan 0.000 0.450 283 V N 2.354 122.267 119.914 -0.002 0.000 3.549 283 V HA -0.178 3.941 4.120 -0.000 0.000 0.300 283 V C 0.878 176.974 176.094 0.004 0.000 1.154 283 V CA 0.560 62.860 62.300 -0.000 0.000 1.268 283 V CB 0.028 31.845 31.823 -0.010 0.000 1.054 283 V HN 0.593 nan 8.190 nan 0.000 0.501 284 N N 0.854 119.558 118.700 0.008 0.000 2.688 284 N HA -0.154 4.586 4.740 -0.000 0.000 0.258 284 N C 0.455 175.986 175.510 0.035 0.000 1.016 284 N CA 0.894 53.954 53.050 0.016 0.000 0.747 284 N CB -0.770 37.722 38.487 0.008 0.000 0.895 284 N HN 0.417 nan 8.380 nan 0.000 0.543 285 V N 0.699 120.635 119.914 0.037 0.000 2.231 285 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 285 V C 2.299 178.442 176.094 0.083 0.000 1.054 285 V CA 2.322 64.651 62.300 0.048 0.000 1.015 285 V CB -0.370 31.470 31.823 0.029 0.000 0.638 285 V HN 0.541 nan 8.190 nan 0.000 0.444 286 I N 0.518 121.135 120.570 0.078 0.000 2.163 286 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 286 I C 2.630 178.830 176.117 0.139 0.000 1.081 286 I CA 1.864 63.236 61.300 0.119 0.000 1.353 286 I CB -1.062 36.987 38.000 0.082 0.000 1.054 286 I HN 0.348 nan 8.210 nan 0.000 0.407 287 G N 0.757 109.608 108.800 0.084 0.000 2.476 287 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 287 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 287 G C 1.461 176.422 174.900 0.100 0.000 1.164 287 G CA 1.106 46.245 45.100 0.065 0.000 0.768 287 G HN 0.326 nan 8.290 nan 0.000 0.560 288 N N 0.057 118.832 118.700 0.126 0.000 2.381 288 N HA -0.074 4.665 4.740 -0.000 0.000 0.182 288 N C 1.715 177.421 175.510 0.327 0.000 1.025 288 N CA 1.026 54.186 53.050 0.184 0.000 0.888 288 N CB -0.391 38.138 38.487 0.070 0.000 0.965 288 N HN 0.512 nan 8.380 nan 0.000 0.438 289 H N 0.298 119.491 119.070 0.205 0.000 2.548 289 H HA 0.225 4.781 4.556 -0.000 0.000 0.268 289 H C 1.512 177.103 175.328 0.439 0.000 0.975 289 H CA 0.596 56.850 56.048 0.344 0.000 1.195 289 H CB 0.033 29.935 29.762 0.233 0.000 1.397 289 H HN 0.107 nan 8.280 nan 0.000 0.572 290 L N -0.484 120.850 121.223 0.186 0.000 2.529 290 L HA 0.143 4.483 4.340 -0.000 0.000 0.223 290 L C 0.289 177.119 176.870 -0.066 0.000 1.113 290 L CA 0.234 55.076 54.840 0.003 0.000 0.861 290 L CB 0.064 42.087 42.059 -0.060 0.000 1.012 290 L HN 0.143 nan 8.230 nan 0.000 0.461 291 Q N 0.501 120.189 119.800 -0.186 0.000 2.571 291 Q HA 0.215 4.555 4.340 -0.000 0.000 0.222 291 Q C -1.381 174.086 176.000 -0.888 0.000 1.167 291 Q CA -0.093 55.416 55.803 -0.491 0.000 0.966 291 Q CB 0.396 28.809 28.738 -0.541 0.000 1.274 291 Q HN 0.191 nan 8.270 nan 0.000 0.552 292 Y N 1.758 121.825 120.300 -0.388 0.000 2.662 292 Y HA 0.150 4.700 4.550 -0.000 0.000 0.358 292 Y C -0.041 175.783 175.900 -0.127 0.000 1.041 292 Y CA -0.609 57.313 58.100 -0.297 0.000 1.184 292 Y CB 0.162 38.547 38.460 -0.125 0.000 1.114 292 Y HN 0.604 nan 8.280 nan 0.000 0.650 293 F N -1.757 118.049 119.950 -0.241 0.000 2.551 293 F HA -0.414 4.113 4.527 -0.000 0.000 0.704 293 F C 0.778 176.348 175.800 -0.383 0.000 0.486 293 F CA 1.415 59.271 58.000 -0.240 0.000 0.741 293 F CB -1.394 37.499 39.000 -0.178 0.000 1.617 293 F HN 0.139 nan 8.300 nan 0.000 0.268 294 V N -2.124 117.743 119.914 -0.078 0.000 3.193 294 V HA 0.746 4.866 4.120 -0.000 0.000 0.320 294 V C 0.452 176.444 176.094 -0.169 0.000 1.112 294 V CA -0.467 61.719 62.300 -0.190 0.000 1.026 294 V CB 1.460 33.243 31.823 -0.066 0.000 1.128 294 V HN 0.192 nan 8.190 nan 0.000 0.452 295 T N 2.661 117.121 114.554 -0.156 0.000 2.870 295 T HA 0.253 4.603 4.350 -0.000 0.000 0.300 295 T C -0.126 174.460 174.700 -0.190 0.000 0.989 295 T CA 0.085 62.090 62.100 -0.157 0.000 1.139 295 T CB -0.022 68.774 68.868 -0.121 0.000 0.920 295 T HN 0.787 nan 8.240 nan 0.000 0.537 296 E N 1.130 121.160 120.200 -0.283 0.000 2.222 296 E HA 0.521 4.871 4.350 -0.000 0.000 0.272 296 E C 1.107 177.351 176.600 -0.594 0.000 0.982 296 E CA -0.186 55.933 56.400 -0.469 0.000 0.842 296 E CB 1.670 30.816 29.700 -0.924 0.000 1.144 296 E HN 0.885 nan 8.360 nan 0.000 0.397 297 G N 0.614 108.829 108.800 -0.976 0.000 2.218 297 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 297 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 297 G C -0.157 174.356 174.900 -0.644 0.000 0.994 297 G CA 0.032 44.355 45.100 -1.295 0.000 0.637 297 G HN 0.333 nan 8.290 nan 0.000 0.505 298 V N 1.062 120.770 119.914 -0.344 0.000 2.482 298 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 298 V C 0.753 176.800 176.094 -0.078 0.000 1.026 298 V CA -0.639 61.569 62.300 -0.152 0.000 0.856 298 V CB 1.376 33.130 31.823 -0.116 0.000 1.001 298 V HN 0.649 nan 8.190 nan 0.000 0.424 299 c N 4.967 123.550 118.600 -0.029 0.000 2.648 299 c HA 0.571 5.141 4.570 -0.000 0.000 0.419 299 c C 1.643 175.709 174.090 -0.041 0.000 1.352 299 c CA 1.456 57.769 56.329 -0.026 0.000 1.816 299 c CB -0.845 41.642 42.510 -0.040 0.000 2.598 299 c HN 1.544 nan 8.230 nan 0.000 0.598 300 G N 4.576 113.352 108.800 -0.040 0.000 2.238 300 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.217 300 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.217 300 G C 0.025 174.917 174.900 -0.014 0.000 0.996 300 G CA 0.328 45.410 45.100 -0.031 0.000 0.632 300 G HN 1.282 nan 8.290 nan 0.000 0.503 301 I N 0.000 120.559 120.570 -0.018 0.000 2.984 301 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 301 I CA 0.000 61.297 61.300 -0.004 0.000 1.566 301 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 301 I HN 0.000 nan 8.210 nan 0.000 0.494