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 3gka_1_A DATA FIRST_RESID 9 DATA SEQUENCE MPSLFDPLTI GDLTLANRII MAPLTRARAG DTRTPNALMA RYYAERASAG DATA SEQUENCE LIISEATSVT PQGVGYASTP GIWSPEQVDG WRLVTDAVHA AGGRIFLQLW DATA SEQUENCE HVGRVSDPVF LDGALPVAPS AIAPGGHVSL VRPQRPYVTP RALELDEIPG DATA SEQUENCE VVAAFRRGAE NARAAGFDGV EVHGANGYLL DQFLQDSANR RTDAYGGSIE DATA SEQUENCE NRARLLLEVV DAAIDVWSAA RVGVHLAPRG DAHTMGDSDP AATFGHVARE DATA SEQUENCE LGRRRIAFLF ARESFGGDAI GQQLKAAFGG PFIVNENFTL DSAQAALDAG DATA SEQUENCE QADAVAWGKL FIANPDLPRR FKLNAPLNEP NAATFYAQGE VGYTDYPALE 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 9 M HA 0.000 nan 4.480 nan 0.000 0.227 9 M C 0.000 176.309 176.300 0.015 0.000 1.140 9 M CA 0.000 55.308 55.300 0.013 0.000 0.988 9 M CB 0.000 32.609 32.600 0.015 0.000 1.302 10 P HA 0.733 nan 4.420 nan 0.000 0.286 10 P C -0.067 177.241 177.300 0.013 0.000 1.261 10 P CA -0.253 62.855 63.100 0.013 0.000 0.821 10 P CB 1.799 33.502 31.700 0.004 0.000 1.013 11 S N 1.006 116.725 115.700 0.031 0.000 2.592 11 S HA 0.148 -1.585 4.470 -10.338 0.000 0.271 11 S C 1.460 176.049 174.600 -0.018 0.000 1.326 11 S CA -0.640 57.587 58.200 0.045 0.000 1.024 11 S CB 0.036 63.312 63.200 0.127 0.000 0.921 11 S HN 0.408 nan 8.310 nan 0.000 0.527 12 L N 2.700 123.850 121.223 -0.121 0.000 2.189 12 L HA -0.093 -1.955 4.340 -10.338 0.000 0.214 12 L C 1.159 177.795 176.870 -0.390 0.000 1.097 12 L CA 1.400 56.054 54.840 -0.310 0.000 0.764 12 L CB -0.420 41.324 42.059 -0.524 0.000 0.900 12 L HN 0.709 nan 8.230 nan 0.000 0.436 13 F N -1.399 118.565 119.950 0.024 0.000 2.765 13 F HA 0.072 -1.603 4.527 -10.337 0.000 0.302 13 F C 0.825 176.635 175.800 0.017 0.000 1.111 13 F CA -0.519 57.496 58.000 0.025 0.000 1.359 13 F CB -0.310 38.702 39.000 0.019 0.000 1.097 13 F HN -0.056 nan 8.300 nan 0.000 0.577 14 D N 1.552 122.025 120.400 0.122 0.000 2.304 14 D HA 0.167 -1.396 4.640 -10.338 0.000 0.247 14 D C -2.205 174.123 176.300 0.046 0.000 1.089 14 D CA -1.642 52.404 54.000 0.078 0.000 0.910 14 D CB 0.666 41.496 40.800 0.050 0.000 1.199 14 D HN -0.089 nan 8.370 nan 0.000 0.426 15 P HA 0.097 nan 4.420 nan 0.000 0.269 15 P C -0.550 176.758 177.300 0.012 0.000 1.217 15 P CA -0.310 62.806 63.100 0.027 0.000 0.783 15 P CB 0.528 32.246 31.700 0.030 0.000 0.898 16 L N 1.550 122.774 121.223 0.002 0.000 2.431 16 L HA 0.509 -1.354 4.340 -10.338 0.000 0.266 16 L C -0.850 176.024 176.870 0.007 0.000 0.978 16 L CA -0.042 54.797 54.840 -0.003 0.000 0.822 16 L CB 2.020 44.062 42.059 -0.029 0.000 1.310 16 L HN 0.184 nan 8.230 nan 0.000 0.409 17 T N 6.108 120.675 114.554 0.022 0.000 2.767 17 T HA 0.615 -1.238 4.350 -10.338 0.000 0.284 17 T C -0.204 174.530 174.700 0.056 0.000 0.973 17 T CA -0.055 62.068 62.100 0.038 0.000 0.996 17 T CB 0.290 69.182 68.868 0.041 0.000 0.927 17 T HN 0.553 nan 8.240 nan 0.000 0.456 18 I N 0.409 121.026 120.570 0.077 0.000 2.362 18 I HA 0.761 -1.271 4.170 -10.338 0.000 0.289 18 I C 0.979 177.191 176.117 0.158 0.000 0.994 18 I CA -0.674 60.707 61.300 0.135 0.000 1.158 18 I CB 0.938 39.039 38.000 0.168 0.000 1.315 18 I HN 0.763 nan 8.210 nan 0.000 0.451 19 G N 5.937 114.827 108.800 0.150 0.000 2.665 19 G HA2 -0.393 -2.636 3.960 -10.338 0.000 0.326 19 G HA3 -0.393 -2.636 3.960 -10.338 0.000 0.326 19 G C 0.503 175.465 174.900 0.103 0.000 1.231 19 G CA 0.948 46.126 45.100 0.129 0.000 0.992 19 G HN 1.052 nan 8.290 nan 0.000 0.549 20 D N 0.244 120.711 120.400 0.111 0.000 2.402 20 D HA 0.374 -1.188 4.640 -10.338 0.000 0.216 20 D C 0.649 177.005 176.300 0.093 0.000 1.128 20 D CA -0.035 54.018 54.000 0.089 0.000 0.833 20 D CB 0.334 41.183 40.800 0.082 0.000 0.971 20 D HN 0.498 nan 8.370 nan 0.000 0.503 21 L N 1.296 122.588 121.223 0.115 0.000 2.296 21 L HA 0.443 -1.420 4.340 -10.338 0.000 0.286 21 L C -0.699 176.219 176.870 0.082 0.000 1.023 21 L CA -0.059 54.850 54.840 0.114 0.000 0.812 21 L CB 1.868 44.034 42.059 0.178 0.000 1.223 21 L HN -0.219 nan 8.230 nan 0.000 0.421 22 T N 6.160 120.750 114.554 0.060 0.000 2.806 22 T HA 0.540 -1.313 4.350 -10.338 0.000 0.290 22 T C -0.080 174.640 174.700 0.032 0.000 0.966 22 T CA -0.316 61.809 62.100 0.041 0.000 1.060 22 T CB 0.627 69.516 68.868 0.035 0.000 0.927 22 T HN 0.433 nan 8.240 nan 0.000 0.485 23 L N 2.027 123.259 121.223 0.015 0.000 2.322 23 L HA 0.538 -1.325 4.340 -10.338 0.000 0.279 23 L C 1.549 178.427 176.870 0.013 0.000 1.036 23 L CA -1.079 53.761 54.840 0.001 0.000 0.807 23 L CB 1.117 43.152 42.059 -0.040 0.000 1.226 23 L HN 0.774 nan 8.230 nan 0.000 0.433 24 A N 2.756 125.591 122.820 0.024 0.000 2.015 24 A HA -0.074 -1.957 4.320 -10.338 0.000 0.219 24 A C 0.612 178.228 177.584 0.053 0.000 1.163 24 A CA 1.708 53.770 52.037 0.041 0.000 0.646 24 A CB -0.684 18.345 19.000 0.049 0.000 0.806 24 A HN 0.952 nan 8.150 nan 0.000 0.448 25 N N -3.671 115.052 118.700 0.038 0.000 3.106 25 N HA 0.453 -1.010 4.740 -10.338 0.000 0.253 25 N C -0.591 174.907 175.510 -0.020 0.000 1.506 25 N CA -0.881 52.189 53.050 0.033 0.000 0.876 25 N CB 0.505 39.042 38.487 0.082 0.000 1.452 25 N HN -0.081 nan 8.380 nan 0.000 0.542 26 R N -0.502 119.962 120.500 -0.059 0.000 2.552 26 R HA 0.466 -1.397 4.340 -10.338 0.000 0.314 26 R C -0.401 175.870 176.300 -0.049 0.000 1.041 26 R CA -0.180 55.869 56.100 -0.085 0.000 1.076 26 R CB -0.209 30.029 30.300 -0.102 0.000 1.290 26 R HN 0.513 nan 8.270 nan 0.000 0.563 27 I N 2.232 122.815 120.570 0.022 0.000 2.307 27 I HA 0.222 -1.811 4.170 -10.338 0.000 0.287 27 I C -0.352 175.908 176.117 0.239 0.000 1.054 27 I CA -0.543 60.883 61.300 0.210 0.000 1.218 27 I CB 0.773 38.866 38.000 0.155 0.000 1.398 27 I HN -0.099 nan 8.210 nan 0.000 0.475 28 I N 6.196 126.890 120.570 0.207 0.000 2.385 28 I HA 0.305 -1.728 4.170 -10.338 0.000 0.294 28 I C 0.164 176.349 176.117 0.112 0.000 0.988 28 I CA -0.761 60.562 61.300 0.039 0.000 1.265 28 I CB 1.528 39.449 38.000 -0.133 0.000 1.388 28 I HN 0.642 nan 8.210 nan 0.000 0.480 29 M N 5.285 124.750 119.600 -0.224 0.000 2.105 29 M HA 0.481 -1.242 4.480 -10.338 0.000 0.350 29 M C 0.119 176.372 176.300 -0.078 0.000 1.308 29 M CA -0.313 54.735 55.300 -0.419 0.000 1.108 29 M CB 0.761 32.813 32.600 -0.913 0.000 1.622 29 M HN 0.751 nan 8.290 nan 0.000 0.468 30 A N 7.623 130.498 122.820 0.091 0.000 2.425 30 A HA 0.517 -1.366 4.320 -10.338 0.000 0.242 30 A C -2.460 175.106 177.584 -0.031 0.000 1.077 30 A CA -1.219 50.887 52.037 0.114 0.000 0.781 30 A CB -0.576 18.550 19.000 0.209 0.000 1.020 30 A HN 0.646 nan 8.150 nan 0.000 0.494 31 P HA 0.274 nan 4.420 nan 0.000 0.271 31 P C -1.172 176.043 177.300 -0.141 0.000 1.226 31 P CA 0.494 63.478 63.100 -0.193 0.000 0.765 31 P CB 0.359 31.800 31.700 -0.432 0.000 0.835 32 L N 3.116 124.310 121.223 -0.049 0.000 2.471 32 L HA 0.247 -1.616 4.340 -10.338 0.000 0.263 32 L C 0.425 177.277 176.870 -0.030 0.000 0.985 32 L CA -0.427 54.382 54.840 -0.052 0.000 0.868 32 L CB 1.565 43.609 42.059 -0.025 0.000 1.203 32 L HN 0.189 nan 8.230 nan 0.000 0.429 33 T N 3.173 117.676 114.554 -0.085 0.000 2.831 33 T HA 0.096 -1.756 4.350 -10.338 0.000 0.291 33 T C 1.030 175.733 174.700 0.006 0.000 0.981 33 T CA 0.021 62.094 62.100 -0.045 0.000 1.174 33 T CB 0.394 69.197 68.868 -0.109 0.000 0.929 33 T HN 0.430 nan 8.240 nan 0.000 0.532 34 R N 2.117 122.617 120.500 0.000 0.000 2.469 34 R HA 0.405 -1.458 4.340 -10.338 0.000 0.250 34 R C 1.132 177.401 176.300 -0.052 0.000 0.909 34 R CA 0.404 56.468 56.100 -0.061 0.000 1.050 34 R CB -0.413 29.816 30.300 -0.118 0.000 1.256 34 R HN 0.798 nan 8.270 nan 0.000 0.550 35 A N 1.781 124.597 122.820 -0.006 0.000 2.846 35 A HA -0.232 -2.115 4.320 -10.338 0.000 0.287 35 A C 0.752 178.268 177.584 -0.113 0.000 1.469 35 A CA 1.204 53.245 52.037 0.006 0.000 0.757 35 A CB -1.294 17.777 19.000 0.118 0.000 1.033 35 A HN 0.212 nan 8.150 nan 0.000 0.516 36 R N -0.770 119.587 120.500 -0.238 0.000 2.468 36 R HA 0.514 -1.348 4.340 -10.338 0.000 0.280 36 R C 1.826 177.996 176.300 -0.217 0.000 0.963 36 R CA 0.963 56.855 56.100 -0.346 0.000 1.083 36 R CB -0.111 29.729 30.300 -0.766 0.000 1.200 36 R HN 0.869 nan 8.270 nan 0.000 0.541 37 A N 0.010 122.746 122.820 -0.141 0.000 2.208 37 A HA 0.408 -1.475 4.320 -10.338 0.000 0.209 37 A C 1.021 178.545 177.584 -0.100 0.000 1.161 37 A CA 0.634 52.591 52.037 -0.133 0.000 0.782 37 A CB -0.402 18.525 19.000 -0.121 0.000 0.816 37 A HN 0.365 nan 8.150 nan 0.000 0.477 38 G N -0.329 108.427 108.800 -0.073 0.000 2.752 38 G HA2 -0.251 -2.493 3.960 -10.338 0.000 0.234 38 G HA3 -0.251 -2.493 3.960 -10.338 0.000 0.234 38 G C 0.090 174.981 174.900 -0.016 0.000 1.367 38 G CA 0.071 45.144 45.100 -0.045 0.000 0.879 38 G HN 0.191 nan 8.290 nan 0.000 0.563 39 D N -0.068 120.330 120.400 -0.003 0.000 2.182 39 D HA -0.093 -1.656 4.640 -10.338 0.000 0.201 39 D C 2.686 178.995 176.300 0.015 0.000 0.986 39 D CA 2.393 56.405 54.000 0.019 0.000 0.847 39 D CB -0.481 40.330 40.800 0.019 0.000 0.942 39 D HN 0.871 nan 8.370 nan 0.000 0.467 40 T N -2.165 112.380 114.554 -0.015 0.000 3.148 40 T HA 0.039 -1.813 4.350 -10.338 0.000 0.253 40 T C 0.938 175.602 174.700 -0.060 0.000 1.134 40 T CA -0.162 61.921 62.100 -0.028 0.000 1.051 40 T CB -0.087 68.753 68.868 -0.047 0.000 0.959 40 T HN 0.108 nan 8.240 nan 0.000 0.525 41 R N 0.488 120.952 120.500 -0.059 0.000 3.758 41 R HA -0.116 -1.978 4.340 -10.338 0.000 0.299 41 R C -0.829 175.352 176.300 -0.198 0.000 1.182 41 R CA 0.929 56.971 56.100 -0.095 0.000 0.809 41 R CB -2.871 27.391 30.300 -0.063 0.000 1.249 41 R HN 0.457 nan 8.270 nan 0.000 0.497 42 T N 1.472 115.905 114.554 -0.202 0.000 2.779 42 T HA 0.396 -1.457 4.350 -10.338 0.000 0.280 42 T C -2.286 172.218 174.700 -0.327 0.000 0.987 42 T CA -1.490 60.448 62.100 -0.270 0.000 0.966 42 T CB 2.058 70.812 68.868 -0.191 0.000 0.933 42 T HN -0.102 nan 8.240 nan 0.000 0.442 43 P HA 0.236 nan 4.420 nan 0.000 0.269 43 P C -0.583 176.544 177.300 -0.289 0.000 1.215 43 P CA -0.340 62.430 63.100 -0.550 0.000 0.780 43 P CB 0.480 31.530 31.700 -1.083 0.000 0.898 44 N N -0.725 117.872 118.700 -0.171 0.000 2.972 44 N HA 0.495 -0.968 4.740 -10.338 0.000 0.262 44 N C 0.484 175.983 175.510 -0.018 0.000 1.478 44 N CA -0.820 52.178 53.050 -0.087 0.000 0.841 44 N CB -0.188 38.250 38.487 -0.083 0.000 1.512 44 N HN 0.144 nan 8.380 nan 0.000 0.548 45 A N -0.416 122.402 122.820 -0.003 0.000 1.978 45 A HA -0.127 -2.010 4.320 -10.338 0.000 0.220 45 A C 1.767 179.389 177.584 0.064 0.000 1.170 45 A CA 1.600 53.653 52.037 0.027 0.000 0.636 45 A CB -0.872 18.138 19.000 0.017 0.000 0.810 45 A HN 0.616 nan 8.150 nan 0.000 0.448 46 L N -0.796 120.468 121.223 0.069 0.000 2.027 46 L HA -0.051 -1.914 4.340 -10.338 0.000 0.206 46 L C 2.465 179.490 176.870 0.259 0.000 1.074 46 L CA 2.090 57.012 54.840 0.137 0.000 0.745 46 L CB -0.538 41.577 42.059 0.093 0.000 0.898 46 L HN 0.434 nan 8.230 nan 0.000 0.433 47 M N -0.913 118.823 119.600 0.227 0.000 2.159 47 M HA -0.175 -1.898 4.480 -10.338 0.000 0.263 47 M C 2.264 178.773 176.300 0.348 0.000 1.063 47 M CA 1.692 57.185 55.300 0.320 0.000 1.110 47 M CB -0.588 32.144 32.600 0.220 0.000 1.374 47 M HN 0.418 nan 8.290 nan 0.000 0.411 48 A N 0.721 123.679 122.820 0.230 0.000 1.883 48 A HA -0.181 -2.063 4.320 -10.338 0.000 0.217 48 A C 2.203 179.884 177.584 0.161 0.000 1.186 48 A CA 1.700 53.852 52.037 0.193 0.000 0.624 48 A CB -0.608 18.451 19.000 0.098 0.000 0.822 48 A HN 0.449 nan 8.150 nan 0.000 0.444 49 R N -2.307 118.269 120.500 0.127 0.000 2.090 49 R HA -0.104 -1.966 4.340 -10.338 0.000 0.228 49 R C 2.188 178.516 176.300 0.047 0.000 1.110 49 R CA 1.450 57.598 56.100 0.079 0.000 0.973 49 R CB -0.557 29.785 30.300 0.071 0.000 0.869 49 R HN 0.720 nan 8.270 nan 0.000 0.440 50 Y N 0.662 120.887 120.300 -0.124 0.000 2.097 50 Y HA -0.321 -1.976 4.550 -10.341 0.000 0.282 50 Y C 1.799 177.538 175.900 -0.270 0.000 1.152 50 Y CA 1.528 59.410 58.100 -0.364 0.000 1.136 50 Y CB -0.478 37.495 38.460 -0.811 0.000 0.975 50 Y HN -0.043 nan 8.280 nan 0.000 0.498 51 Y N -0.088 120.138 120.300 -0.124 0.000 2.163 51 Y HA -0.105 -1.762 4.550 -10.346 0.000 0.288 51 Y C 2.769 178.564 175.900 -0.176 0.000 1.136 51 Y CA 1.274 59.248 58.100 -0.210 0.000 1.147 51 Y CB -1.297 37.167 38.460 0.007 0.000 0.987 51 Y HN 0.247 nan 8.280 nan 0.000 0.509 52 A N 0.745 123.606 122.820 0.067 0.000 1.917 52 A HA -0.293 -2.175 4.320 -10.338 0.000 0.219 52 A C 2.059 179.629 177.584 -0.024 0.000 1.182 52 A CA 2.178 54.225 52.037 0.017 0.000 0.633 52 A CB -0.913 18.102 19.000 0.026 0.000 0.819 52 A HN 0.673 nan 8.150 nan 0.000 0.448 53 E N -0.699 119.465 120.200 -0.059 0.000 2.478 53 E HA -0.084 -1.937 4.350 -10.338 0.000 0.198 53 E C 1.377 177.929 176.600 -0.081 0.000 1.046 53 E CA 0.630 56.991 56.400 -0.064 0.000 0.870 53 E CB -0.146 29.516 29.700 -0.063 0.000 0.818 53 E HN 0.595 nan 8.360 nan 0.000 0.527 54 R N 0.027 120.447 120.500 -0.133 0.000 2.468 54 R HA 0.297 -1.566 4.340 -10.338 0.000 0.280 54 R C 1.416 177.662 176.300 -0.091 0.000 0.963 54 R CA 0.458 56.486 56.100 -0.120 0.000 1.083 54 R CB 0.671 30.784 30.300 -0.312 0.000 1.200 54 R HN 0.181 nan 8.270 nan 0.000 0.541 55 A N 0.780 123.573 122.820 -0.044 0.000 2.209 55 A HA -0.096 -1.978 4.320 -10.338 0.000 0.212 55 A C 1.972 179.561 177.584 0.007 0.000 1.158 55 A CA 1.220 53.245 52.037 -0.020 0.000 0.742 55 A CB -0.192 18.809 19.000 0.002 0.000 0.790 55 A HN 0.330 nan 8.150 nan 0.000 0.472 56 S N 0.024 115.741 115.700 0.029 0.000 2.515 56 S HA 0.340 -1.393 4.470 -10.338 0.000 0.231 56 S C 1.031 175.684 174.600 0.088 0.000 0.987 56 S CA 0.411 58.646 58.200 0.058 0.000 0.936 56 S CB -0.702 62.535 63.200 0.062 0.000 0.766 56 S HN 0.900 nan 8.310 nan 0.000 0.528 57 A N 1.095 123.959 122.820 0.073 0.000 2.511 57 A HA 0.545 -1.338 4.320 -10.338 0.000 0.242 57 A C 1.616 179.206 177.584 0.010 0.000 1.069 57 A CA 0.099 52.172 52.037 0.059 0.000 0.763 57 A CB -0.436 18.436 19.000 -0.213 0.000 1.001 57 A HN 0.468 nan 8.150 nan 0.000 0.498 58 G N 0.922 109.735 108.800 0.021 0.000 2.469 58 G HA2 0.080 -2.163 3.960 -10.338 0.000 0.219 58 G HA3 0.080 -2.163 3.960 -10.338 0.000 0.219 58 G C 0.391 175.253 174.900 -0.063 0.000 1.150 58 G CA 1.713 46.803 45.100 -0.016 0.000 0.763 58 G HN 1.172 nan 8.290 nan 0.000 0.561 59 L N -0.826 120.329 121.223 -0.114 0.000 2.513 59 L HA 0.607 -1.256 4.340 -10.338 0.000 0.261 59 L C -1.324 175.439 176.870 -0.178 0.000 0.945 59 L CA -0.833 53.911 54.840 -0.159 0.000 0.848 59 L CB 2.048 43.931 42.059 -0.292 0.000 1.334 59 L HN 0.025 nan 8.230 nan 0.000 0.407 60 I N 5.351 125.839 120.570 -0.136 0.000 2.336 60 I HA 0.418 -1.615 4.170 -10.338 0.000 0.292 60 I C -0.473 175.596 176.117 -0.081 0.000 0.991 60 I CA -0.416 60.802 61.300 -0.138 0.000 1.227 60 I CB 1.469 39.407 38.000 -0.103 0.000 1.366 60 I HN 0.488 nan 8.210 nan 0.000 0.466 61 I N 5.623 126.145 120.570 -0.080 0.000 2.336 61 I HA 0.173 -1.860 4.170 -10.338 0.000 0.292 61 I C 0.713 176.801 176.117 -0.049 0.000 0.991 61 I CA -0.256 61.011 61.300 -0.055 0.000 1.227 61 I CB 1.528 39.478 38.000 -0.084 0.000 1.366 61 I HN 0.634 nan 8.210 nan 0.000 0.466 62 S N 5.253 120.904 115.700 -0.082 0.000 2.600 62 S HA 0.147 -1.586 4.470 -10.338 0.000 0.265 62 S C 0.185 174.796 174.600 0.019 0.000 1.325 62 S CA -0.851 57.339 58.200 -0.017 0.000 1.002 62 S CB 0.653 63.745 63.200 -0.181 0.000 0.921 62 S HN 0.692 nan 8.310 nan 0.000 0.554 63 E N 0.939 121.269 120.200 0.217 0.000 2.508 63 E HA 0.160 -1.693 4.350 -10.338 0.000 0.266 63 E C 0.264 176.809 176.600 -0.091 0.000 1.010 63 E CA -0.128 56.310 56.400 0.062 0.000 0.955 63 E CB 0.091 29.911 29.700 0.201 0.000 0.946 63 E HN 0.846 nan 8.360 nan 0.000 0.454 64 A N 3.304 125.908 122.820 -0.359 0.000 2.546 64 A HA 0.167 -1.716 4.320 -10.338 0.000 0.243 64 A C -0.139 177.446 177.584 0.002 0.000 1.063 64 A CA 0.275 51.992 52.037 -0.533 0.000 0.757 64 A CB 0.133 18.100 19.000 -1.721 0.000 0.991 64 A HN 0.593 nan 8.150 nan 0.000 0.503 65 T N 2.679 117.378 114.554 0.241 0.000 2.890 65 T HA 0.375 -1.478 4.350 -10.338 0.000 0.295 65 T C -0.066 174.863 174.700 0.383 0.000 0.993 65 T CA -0.299 62.017 62.100 0.361 0.000 0.979 65 T CB 1.167 70.155 68.868 0.199 0.000 0.967 65 T HN 0.605 nan 8.240 nan 0.000 0.441 66 S N 1.926 117.858 115.700 0.386 0.000 2.549 66 S HA 0.108 -1.625 4.470 -10.338 0.000 0.279 66 S C 1.784 176.526 174.600 0.238 0.000 1.321 66 S CA -0.688 57.625 58.200 0.188 0.000 1.054 66 S CB 0.789 64.046 63.200 0.095 0.000 0.899 66 S HN 0.707 nan 8.310 nan 0.000 0.497 67 V N 0.674 120.567 119.914 -0.036 0.000 3.623 67 V HA 0.321 -1.762 4.120 -10.338 0.000 0.271 67 V C 0.667 176.755 176.094 -0.011 0.000 1.248 67 V CA 0.604 62.871 62.300 -0.055 0.000 1.156 67 V CB -0.598 30.946 31.823 -0.466 0.000 0.870 67 V HN 0.798 nan 8.190 nan 0.000 0.453 68 T N -1.529 112.891 114.554 -0.224 0.000 2.907 68 T HA 0.409 -1.444 4.350 -10.338 0.000 0.344 68 T C -2.703 171.354 174.700 -1.073 0.000 1.675 68 T CA -0.108 61.570 62.100 -0.702 0.000 1.076 68 T CB 1.689 70.286 68.868 -0.451 0.000 1.483 68 T HN -0.050 nan 8.240 nan 0.000 0.487 69 P HA -0.142 nan 4.420 nan 0.000 0.216 69 P C 1.417 178.415 177.300 -0.504 0.000 1.154 69 P CA 1.267 63.843 63.100 -0.874 0.000 0.865 69 P CB 0.127 31.444 31.700 -0.639 0.000 0.789 70 Q N -0.512 119.013 119.800 -0.460 0.000 2.234 70 Q HA -0.094 -1.957 4.340 -10.338 0.000 0.206 70 Q C 1.526 177.223 176.000 -0.506 0.000 0.980 70 Q CA 1.599 57.208 55.803 -0.324 0.000 0.869 70 Q CB -0.758 27.875 28.738 -0.175 0.000 0.912 70 Q HN 0.195 nan 8.270 nan 0.000 0.436 71 G N 0.152 108.412 108.800 -0.901 0.000 3.448 71 G HA2 0.300 -1.942 3.960 -10.338 0.000 0.261 71 G HA3 0.300 -1.942 3.960 -10.338 0.000 0.261 71 G C -0.346 174.115 174.900 -0.733 0.000 1.173 71 G CA -0.300 44.085 45.100 -1.191 0.000 0.835 71 G HN 0.079 nan 8.290 nan 0.000 0.534 72 V N 0.189 119.807 119.914 -0.494 0.000 2.481 72 V HA 0.672 -1.410 4.120 -10.338 0.000 0.286 72 V C 1.075 176.918 176.094 -0.417 0.000 1.042 72 V CA 0.418 62.481 62.300 -0.395 0.000 0.928 72 V CB 1.698 33.413 31.823 -0.179 0.000 0.986 72 V HN 0.213 nan 8.190 nan 0.000 0.462 73 G N 3.118 111.595 108.800 -0.537 0.000 3.581 73 G HA2 0.307 -1.936 3.960 -10.338 0.000 0.248 73 G HA3 0.307 -1.936 3.960 -10.338 0.000 0.248 73 G C -0.382 173.728 174.900 -1.317 0.000 1.037 73 G CA 0.129 44.824 45.100 -0.676 0.000 0.902 73 G HN 0.548 nan 8.290 nan 0.000 0.512 74 Y N -0.541 119.132 120.300 -1.044 0.000 2.597 74 Y HA 0.644 -1.047 4.550 -10.401 0.000 0.340 74 Y C 0.220 175.738 175.900 -0.636 0.000 1.097 74 Y CA -1.350 56.255 58.100 -0.825 0.000 1.037 74 Y CB 1.690 40.041 38.460 -0.182 0.000 1.305 74 Y HN 0.110 nan 8.280 nan 0.000 0.463 75 A N 0.640 123.450 122.820 -0.018 0.000 2.440 75 A HA 0.476 -1.407 4.320 -10.338 0.000 0.251 75 A C 0.670 178.328 177.584 0.124 0.000 1.089 75 A CA 0.476 52.623 52.037 0.183 0.000 0.779 75 A CB -0.464 18.709 19.000 0.288 0.000 1.022 75 A HN 1.258 nan 8.150 nan 0.000 0.492 76 S N -0.260 115.500 115.700 0.099 0.000 3.490 76 S HA -0.180 -1.913 4.470 -10.338 0.000 0.301 76 S C 0.463 175.094 174.600 0.051 0.000 1.233 76 S CA 1.246 59.481 58.200 0.058 0.000 0.914 76 S CB -2.783 60.441 63.200 0.040 0.000 1.047 76 S HN 1.871 nan 8.310 nan 0.000 0.602 77 T N 0.334 114.942 114.554 0.090 0.000 2.882 77 T HA 0.636 -1.217 4.350 -10.338 0.000 0.287 77 T C -2.261 172.511 174.700 0.119 0.000 0.992 77 T CA -2.004 60.175 62.100 0.133 0.000 1.076 77 T CB 1.794 70.809 68.868 0.245 0.000 0.961 77 T HN 0.059 nan 8.240 nan 0.000 0.490 78 P HA 0.458 nan 4.420 nan 0.000 0.279 78 P C 0.057 177.436 177.300 0.130 0.000 1.252 78 P CA -0.227 62.907 63.100 0.057 0.000 0.811 78 P CB 1.050 32.766 31.700 0.026 0.000 1.035 79 G N 0.003 108.742 108.800 -0.101 0.000 2.597 79 G HA2 0.529 -1.713 3.960 -10.338 0.000 0.317 79 G HA3 0.529 -1.713 3.960 -10.338 0.000 0.317 79 G C -0.808 174.061 174.900 -0.051 0.000 1.230 79 G CA -0.523 44.437 45.100 -0.233 0.000 0.996 79 G HN 0.453 nan 8.290 nan 0.000 0.490 80 I N -0.234 120.340 120.570 0.006 0.000 3.597 80 I HA 0.317 -1.716 4.170 -10.338 0.000 0.323 80 I C 0.700 176.877 176.117 0.100 0.000 1.535 80 I CA -1.340 60.018 61.300 0.097 0.000 1.028 80 I CB -0.000 38.043 38.000 0.072 0.000 1.354 80 I HN 0.679 nan 8.210 nan 0.000 0.544 81 W N 0.687 122.023 121.300 0.060 0.000 2.762 81 W HA 0.473 -1.092 4.660 -10.375 0.000 0.265 81 W C 0.881 177.423 176.519 0.038 0.000 1.263 81 W CA 0.427 57.785 57.345 0.023 0.000 1.411 81 W CB -1.134 28.316 29.460 -0.017 0.000 1.065 81 W HN 0.207 nan 8.180 nan 0.000 0.609 82 S N 0.913 116.446 115.700 -0.278 0.000 2.654 82 S HA 0.449 -1.284 4.470 -10.338 0.000 0.283 82 S C -1.603 172.969 174.600 -0.047 0.000 1.180 82 S CA -1.309 56.823 58.200 -0.113 0.000 1.021 82 S CB 2.134 65.192 63.200 -0.236 0.000 1.018 82 S HN -0.194 nan 8.310 nan 0.000 0.532 83 P HA 0.020 nan 4.420 nan 0.000 0.219 83 P C 0.871 178.167 177.300 -0.008 0.000 1.150 83 P CA 0.961 64.068 63.100 0.013 0.000 0.814 83 P CB 0.042 31.756 31.700 0.022 0.000 0.787 84 E N -0.263 119.914 120.200 -0.038 0.000 2.077 84 E HA -0.181 -2.034 4.350 -10.338 0.000 0.193 84 E C 2.168 178.716 176.600 -0.086 0.000 0.989 84 E CA 1.219 57.585 56.400 -0.057 0.000 0.800 84 E CB -0.695 28.964 29.700 -0.067 0.000 0.746 84 E HN 0.362 nan 8.360 nan 0.000 0.452 85 Q N -0.184 119.539 119.800 -0.128 0.000 2.079 85 Q HA -0.099 -1.962 4.340 -10.338 0.000 0.200 85 Q C 2.240 178.265 176.000 0.042 0.000 0.974 85 Q CA 1.210 56.926 55.803 -0.143 0.000 0.840 85 Q CB -0.033 28.564 28.738 -0.236 0.000 0.898 85 Q HN 0.137 nan 8.270 nan 0.000 0.430 86 V N 1.702 121.681 119.914 0.110 0.000 2.287 86 V HA -0.301 -2.384 4.120 -10.338 0.000 0.248 86 V C 1.597 177.782 176.094 0.152 0.000 1.053 86 V CA 2.107 64.527 62.300 0.199 0.000 1.027 86 V CB -0.526 31.373 31.823 0.127 0.000 0.646 86 V HN 0.377 nan 8.190 nan 0.000 0.447 87 D N 0.382 120.819 120.400 0.061 0.000 2.149 87 D HA -0.129 -1.691 4.640 -10.338 0.000 0.198 87 D C 2.159 178.465 176.300 0.009 0.000 0.990 87 D CA 1.636 55.655 54.000 0.031 0.000 0.839 87 D CB -0.613 40.188 40.800 0.003 0.000 0.948 87 D HN 0.494 nan 8.370 nan 0.000 0.460 88 G N -0.105 108.666 108.800 -0.048 0.000 2.433 88 G HA2 -0.250 -2.492 3.960 -10.338 0.000 0.216 88 G HA3 -0.250 -2.492 3.960 -10.338 0.000 0.216 88 G C 1.539 176.377 174.900 -0.103 0.000 1.186 88 G CA 0.429 45.443 45.100 -0.143 0.000 0.779 88 G HN 0.313 nan 8.290 nan 0.000 0.543 89 W N 0.492 121.806 121.300 0.023 0.000 2.350 89 W HA -0.027 -1.581 4.660 -10.356 0.000 0.289 89 W C 2.823 179.286 176.519 -0.094 0.000 1.215 89 W CA 0.724 58.087 57.345 0.031 0.000 1.236 89 W CB 0.050 29.627 29.460 0.194 0.000 1.130 89 W HN 0.121 nan 8.180 nan 0.000 0.541 90 R N 0.955 121.549 120.500 0.157 0.000 2.105 90 R HA -0.168 -2.030 4.340 -10.338 0.000 0.239 90 R C 1.786 178.087 176.300 0.000 0.000 1.135 90 R CA 1.665 57.791 56.100 0.042 0.000 0.967 90 R CB -1.001 29.328 30.300 0.047 0.000 0.861 90 R HN 0.242 nan 8.270 nan 0.000 0.442 91 L N -0.715 120.515 121.223 0.012 0.000 2.046 91 L HA -0.156 -2.019 4.340 -10.338 0.000 0.208 91 L C 2.308 179.179 176.870 0.001 0.000 1.077 91 L CA 1.160 56.001 54.840 0.002 0.000 0.747 91 L CB -0.540 41.518 42.059 -0.002 0.000 0.896 91 L HN 0.027 nan 8.230 nan 0.000 0.432 92 V N -0.185 119.746 119.914 0.028 0.000 2.307 92 V HA -0.255 -2.338 4.120 -10.338 0.000 0.245 92 V C 2.785 178.796 176.094 -0.139 0.000 1.045 92 V CA 2.317 64.647 62.300 0.049 0.000 1.024 92 V CB -0.937 31.027 31.823 0.235 0.000 0.651 92 V HN 0.682 nan 8.190 nan 0.000 0.449 93 T N -2.095 112.276 114.554 -0.304 0.000 2.746 93 T HA -0.233 -2.086 4.350 -10.338 0.000 0.267 93 T C 1.581 175.998 174.700 -0.472 0.000 1.039 93 T CA 1.690 63.440 62.100 -0.583 0.000 1.142 93 T CB -0.504 67.964 68.868 -0.667 0.000 0.866 93 T HN 0.374 nan 8.240 nan 0.000 0.444 94 D N 2.064 122.352 120.400 -0.187 0.000 2.104 94 D HA 0.028 -1.535 4.640 -10.338 0.000 0.194 94 D C 2.489 178.761 176.300 -0.048 0.000 0.994 94 D CA 1.608 55.574 54.000 -0.058 0.000 0.830 94 D CB -0.723 40.071 40.800 -0.010 0.000 0.959 94 D HN 0.583 nan 8.370 nan 0.000 0.452 95 A N 0.330 123.117 122.820 -0.055 0.000 1.898 95 A HA -0.098 -1.981 4.320 -10.338 0.000 0.216 95 A C 2.515 180.083 177.584 -0.027 0.000 1.181 95 A CA 1.027 53.055 52.037 -0.016 0.000 0.620 95 A CB -0.669 18.340 19.000 0.014 0.000 0.819 95 A HN 0.139 nan 8.150 nan 0.000 0.442 96 V N -0.200 119.655 119.914 -0.098 0.000 2.295 96 V HA -0.306 -2.389 4.120 -10.338 0.000 0.246 96 V C 2.296 178.375 176.094 -0.025 0.000 1.049 96 V CA 2.388 64.629 62.300 -0.098 0.000 1.024 96 V CB -1.140 30.557 31.823 -0.210 0.000 0.648 96 V HN 0.758 nan 8.190 nan 0.000 0.447 97 H N -0.226 118.835 119.070 -0.015 0.000 2.389 97 H HA -0.038 -1.685 4.556 -10.337 0.000 0.299 97 H C 2.289 177.618 175.328 0.003 0.000 1.081 97 H CA 0.993 57.038 56.048 -0.005 0.000 1.345 97 H CB -0.105 29.652 29.762 -0.009 0.000 1.393 97 H HN 0.469 nan 8.280 nan 0.000 0.520 98 A N 1.053 123.941 122.820 0.113 0.000 1.972 98 A HA -0.069 -1.952 4.320 -10.338 0.000 0.219 98 A C 2.356 179.970 177.584 0.051 0.000 1.169 98 A CA 1.356 53.433 52.037 0.067 0.000 0.635 98 A CB -0.574 18.453 19.000 0.044 0.000 0.810 98 A HN 0.462 nan 8.150 nan 0.000 0.446 99 A N -2.145 120.703 122.820 0.047 0.000 2.251 99 A HA 0.428 -1.454 4.320 -10.338 0.000 0.209 99 A C 1.693 179.302 177.584 0.042 0.000 1.187 99 A CA 1.167 53.224 52.037 0.035 0.000 0.823 99 A CB -0.684 18.329 19.000 0.022 0.000 0.846 99 A HN 1.837 nan 8.150 nan 0.000 0.486 100 G N -2.080 106.758 108.800 0.064 0.000 2.159 100 G HA2 -0.002 -2.245 3.960 -10.338 0.000 0.227 100 G HA3 -0.002 -2.245 3.960 -10.338 0.000 0.227 100 G C 0.653 175.598 174.900 0.075 0.000 0.986 100 G CA 0.190 45.328 45.100 0.063 0.000 0.651 100 G HN 1.293 nan 8.290 nan 0.000 0.523 101 G N -0.823 108.033 108.800 0.093 0.000 2.522 101 G HA2 0.663 -1.580 3.960 -10.338 0.000 0.304 101 G HA3 0.663 -1.580 3.960 -10.338 0.000 0.304 101 G C -0.194 174.805 174.900 0.165 0.000 1.210 101 G CA -0.697 44.453 45.100 0.084 0.000 0.960 101 G HN 0.318 nan 8.290 nan 0.000 0.497 102 R N -0.836 119.736 120.500 0.120 0.000 2.740 102 R HA 0.599 -1.264 4.340 -10.338 0.000 0.282 102 R C -1.277 175.110 176.300 0.146 0.000 0.969 102 R CA -0.801 55.412 56.100 0.188 0.000 0.918 102 R CB 2.009 32.392 30.300 0.137 0.000 1.175 102 R HN 0.514 nan 8.270 nan 0.000 0.464 103 I N 1.664 122.383 120.570 0.249 0.000 2.607 103 I HA 0.438 -1.595 4.170 -10.338 0.000 0.290 103 I C -1.567 174.860 176.117 0.516 0.000 1.129 103 I CA -0.732 60.701 61.300 0.222 0.000 1.042 103 I CB 1.368 39.362 38.000 -0.010 0.000 1.242 103 I HN 0.293 nan 8.210 nan 0.000 0.421 104 F N 6.910 126.888 119.950 0.046 0.000 2.443 104 F HA 0.504 -1.176 4.527 -10.345 0.000 0.335 104 F C -0.349 175.245 175.800 -0.343 0.000 1.104 104 F CA -0.859 57.082 58.000 -0.098 0.000 1.013 104 F CB 1.851 40.807 39.000 -0.073 0.000 1.136 104 F HN 0.254 nan 8.300 nan 0.000 0.470 105 L N 3.596 124.369 121.223 -0.751 0.000 2.290 105 L HA 0.307 -1.556 4.340 -10.338 0.000 0.284 105 L C 0.032 176.579 176.870 -0.537 0.000 1.078 105 L CA -0.062 54.137 54.840 -1.069 0.000 0.815 105 L CB 0.789 41.758 42.059 -1.817 0.000 1.162 105 L HN 0.654 nan 8.230 nan 0.000 0.435 106 Q N 4.768 124.340 119.800 -0.381 0.000 2.296 106 Q HA 0.325 -1.538 4.340 -10.338 0.000 0.263 106 Q C -1.261 174.659 176.000 -0.132 0.000 1.026 106 Q CA -0.273 55.384 55.803 -0.243 0.000 0.912 106 Q CB 0.532 29.081 28.738 -0.313 0.000 1.198 106 Q HN 0.693 nan 8.270 nan 0.000 0.407 107 L N 4.783 126.005 121.223 -0.001 0.000 2.305 107 L HA 0.416 -1.447 4.340 -10.338 0.000 0.281 107 L C -0.641 176.488 176.870 0.432 0.000 1.085 107 L CA -0.467 54.471 54.840 0.163 0.000 0.813 107 L CB 0.508 42.724 42.059 0.261 0.000 1.157 107 L HN 0.653 nan 8.230 nan 0.000 0.436 108 W N 4.201 125.545 121.300 0.073 0.000 2.998 108 W HA 0.406 4.831 4.660 -0.391 0.000 0.335 108 W C -1.193 175.326 176.519 -0.000 0.000 1.110 108 W CA -0.668 56.731 57.345 0.090 0.000 1.230 108 W CB 1.181 30.638 29.460 -0.005 0.000 1.405 108 W HN 0.358 nan 8.180 nan 0.000 0.493 109 H N 4.835 123.919 119.070 0.024 0.000 2.924 109 H HA 0.269 -1.399 4.556 -10.373 0.000 0.333 109 H C 0.721 175.841 175.328 -0.348 0.000 0.979 109 H CA 0.031 55.929 56.048 -0.250 0.000 1.326 109 H CB 1.827 31.604 29.762 0.025 0.000 1.600 109 H HN 0.393 nan 8.280 nan 0.000 0.520 110 V N 2.872 122.533 119.914 -0.422 0.000 2.809 110 V HA 0.172 -1.911 4.120 -10.338 0.000 0.256 110 V C 1.450 177.665 176.094 0.201 0.000 1.080 110 V CA 1.338 63.513 62.300 -0.208 0.000 1.102 110 V CB -1.007 30.584 31.823 -0.386 0.000 0.705 110 V HN 0.978 nan 8.190 nan 0.000 0.475 111 G N 2.379 111.363 108.800 0.308 0.000 2.611 111 G HA2 -0.459 -2.702 3.960 -10.338 0.000 0.301 111 G HA3 -0.459 -2.702 3.960 -10.338 0.000 0.301 111 G C 1.042 175.997 174.900 0.092 0.000 1.233 111 G CA 1.439 46.635 45.100 0.160 0.000 0.993 111 G HN 0.989 nan 8.290 nan 0.000 0.553 112 R N 0.002 120.520 120.500 0.030 0.000 2.235 112 R HA 0.189 -1.674 4.340 -10.338 0.000 0.213 112 R C 1.093 177.360 176.300 -0.056 0.000 1.059 112 R CA 1.356 57.444 56.100 -0.021 0.000 0.997 112 R CB -0.285 29.970 30.300 -0.075 0.000 0.884 112 R HN 0.458 nan 8.270 nan 0.000 0.462 113 V N 1.929 121.810 119.914 -0.055 0.000 2.055 113 V HA 0.128 -1.955 4.120 -10.338 0.000 0.248 113 V C 0.084 176.243 176.094 0.108 0.000 1.476 113 V CA 0.110 62.366 62.300 -0.073 0.000 1.417 113 V CB -0.314 31.418 31.823 -0.150 0.000 1.465 113 V HN 0.410 nan 8.190 nan 0.000 0.502 114 S N 2.044 117.865 115.700 0.202 0.000 2.755 114 S HA 0.622 -1.110 4.470 -10.338 0.000 0.286 114 S C -2.114 172.616 174.600 0.216 0.000 1.207 114 S CA -0.607 57.680 58.200 0.145 0.000 0.892 114 S CB 2.209 65.440 63.200 0.052 0.000 1.240 114 S HN 0.684 nan 8.310 nan 0.000 0.525 115 D N -0.728 119.797 120.400 0.207 0.000 2.736 115 D HA 0.550 -1.013 4.640 -10.338 0.000 0.223 115 D C -2.289 174.017 176.300 0.010 0.000 1.231 115 D CA -1.510 52.532 54.000 0.071 0.000 0.818 115 D CB 2.009 42.785 40.800 -0.039 0.000 1.587 115 D HN 0.123 nan 8.370 nan 0.000 0.463 116 P HA -0.170 nan 4.420 nan 0.000 0.218 116 P C 1.446 178.677 177.300 -0.115 0.000 1.146 116 P CA 0.494 63.562 63.100 -0.054 0.000 0.820 116 P CB 0.190 31.859 31.700 -0.052 0.000 0.778 117 V N -1.663 118.107 119.914 -0.240 0.000 2.568 117 V HA -0.222 -2.305 4.120 -10.338 0.000 0.253 117 V C 1.545 177.408 176.094 -0.386 0.000 1.072 117 V CA 1.837 63.914 62.300 -0.372 0.000 1.084 117 V CB -1.014 30.476 31.823 -0.556 0.000 0.676 117 V HN -0.031 nan 8.190 nan 0.000 0.469 118 F N -0.777 119.142 119.950 -0.051 0.000 2.776 118 F HA 0.348 -1.306 4.527 -10.301 0.000 0.300 118 F C 1.390 177.152 175.800 -0.063 0.000 1.116 118 F CA 0.384 58.352 58.000 -0.052 0.000 1.375 118 F CB 0.027 38.984 39.000 -0.073 0.000 1.109 118 F HN 0.074 nan 8.300 nan 0.000 0.585 119 L N -0.396 120.867 121.223 0.067 0.000 3.066 119 L HA 0.242 -1.621 4.340 -10.338 0.000 0.265 119 L C -0.320 176.539 176.870 -0.017 0.000 1.232 119 L CA -0.183 54.663 54.840 0.009 0.000 1.031 119 L CB -0.174 41.885 42.059 0.000 0.000 1.379 119 L HN -0.079 nan 8.230 nan 0.000 0.563 120 D N 1.513 121.903 120.400 -0.017 0.000 2.708 120 D HA -0.214 -1.777 4.640 -10.338 0.000 0.236 120 D C 1.367 177.648 176.300 -0.031 0.000 1.146 120 D CA 1.371 55.356 54.000 -0.025 0.000 0.662 120 D CB -1.044 39.744 40.800 -0.020 0.000 1.059 120 D HN 0.700 nan 8.370 nan 0.000 0.428 121 G N -1.660 107.117 108.800 -0.039 0.000 2.241 121 G HA2 -0.155 -2.398 3.960 -10.338 0.000 0.244 121 G HA3 -0.155 -2.398 3.960 -10.338 0.000 0.244 121 G C 0.583 175.466 174.900 -0.027 0.000 0.998 121 G CA 0.583 45.661 45.100 -0.036 0.000 0.621 121 G HN 1.251 nan 8.290 nan 0.000 0.519 122 A N 0.553 123.359 122.820 -0.024 0.000 2.425 122 A HA 0.667 -1.216 4.320 -10.338 0.000 0.242 122 A C 0.830 178.408 177.584 -0.010 0.000 1.077 122 A CA 0.046 52.072 52.037 -0.018 0.000 0.781 122 A CB 0.266 19.252 19.000 -0.023 0.000 1.020 122 A HN 0.888 nan 8.150 nan 0.000 0.494 123 L N 1.903 123.123 121.223 -0.005 0.000 2.439 123 L HA 0.245 -1.618 4.340 -10.338 0.000 0.269 123 L C -1.880 174.999 176.870 0.015 0.000 1.179 123 L CA -1.632 53.212 54.840 0.006 0.000 0.828 123 L CB 0.431 42.492 42.059 0.004 0.000 1.106 123 L HN 0.472 nan 8.230 nan 0.000 0.467 124 P HA 0.051 nan 4.420 nan 0.000 0.269 124 P C -0.835 176.486 177.300 0.035 0.000 1.215 124 P CA -0.263 62.862 63.100 0.042 0.000 0.780 124 P CB 0.683 32.418 31.700 0.059 0.000 0.898 125 V N -1.291 118.656 119.914 0.054 0.000 2.850 125 V HA 0.966 -1.117 4.120 -10.338 0.000 0.315 125 V C -0.366 175.741 176.094 0.022 0.000 1.064 125 V CA -0.955 61.367 62.300 0.037 0.000 0.979 125 V CB 1.120 32.972 31.823 0.048 0.000 1.039 125 V HN 0.778 nan 8.190 nan 0.000 0.452 126 A N 2.858 125.676 122.820 -0.003 0.000 2.586 126 A HA 0.857 -1.025 4.320 -10.338 0.000 0.290 126 A C -2.578 174.907 177.584 -0.164 0.000 1.086 126 A CA -0.684 51.320 52.037 -0.056 0.000 0.665 126 A CB 0.968 19.918 19.000 -0.083 0.000 1.279 126 A HN 0.552 nan 8.150 nan 0.000 0.423 127 P HA 0.008 nan 4.420 nan 0.000 0.216 127 P C 0.520 177.593 177.300 -0.378 0.000 1.153 127 P CA 1.349 63.922 63.100 -0.878 0.000 0.848 127 P CB 0.202 31.088 31.700 -1.357 0.000 0.787 128 S N -1.586 113.956 115.700 -0.264 0.000 2.595 128 S HA 0.590 -1.143 4.470 -10.338 0.000 0.281 128 S C -0.437 174.099 174.600 -0.105 0.000 1.117 128 S CA -0.521 57.587 58.200 -0.153 0.000 0.873 128 S CB 1.898 65.014 63.200 -0.141 0.000 1.108 128 S HN 0.118 nan 8.310 nan 0.000 0.477 129 A N 2.263 125.041 122.820 -0.070 0.000 3.048 129 A HA 0.492 -1.391 4.320 -10.338 0.000 0.264 129 A C -0.276 177.281 177.584 -0.045 0.000 1.796 129 A CA 0.098 52.105 52.037 -0.048 0.000 1.445 129 A CB -1.176 17.804 19.000 -0.033 0.000 1.074 129 A HN 0.635 nan 8.150 nan 0.000 0.621 130 I N 1.175 121.712 120.570 -0.055 0.000 2.512 130 I HA 0.434 -1.599 4.170 -10.338 0.000 0.287 130 I C 0.423 176.509 176.117 -0.053 0.000 1.069 130 I CA -0.481 60.790 61.300 -0.049 0.000 1.056 130 I CB 1.956 39.921 38.000 -0.058 0.000 1.229 130 I HN 0.406 nan 8.210 nan 0.000 0.429 131 A N 8.232 131.032 122.820 -0.034 0.000 2.340 131 A HA 0.756 -1.127 4.320 -10.338 0.000 0.268 131 A C -2.364 175.179 177.584 -0.067 0.000 1.100 131 A CA -1.126 50.891 52.037 -0.033 0.000 0.803 131 A CB -0.093 18.921 19.000 0.025 0.000 1.043 131 A HN 0.442 nan 8.150 nan 0.000 0.488 132 P HA 0.349 nan 4.420 nan 0.000 0.276 132 P C 0.392 177.668 177.300 -0.039 0.000 1.244 132 P CA -0.006 62.986 63.100 -0.179 0.000 0.801 132 P CB 0.788 32.230 31.700 -0.430 0.000 1.006 133 G N -0.709 108.097 108.800 0.011 0.000 2.616 133 G HA2 0.489 -1.754 3.960 -10.338 0.000 0.268 133 G HA3 0.489 -1.754 3.960 -10.338 0.000 0.268 133 G C 0.333 175.324 174.900 0.151 0.000 1.213 133 G CA 0.089 45.226 45.100 0.062 0.000 0.926 133 G HN 0.843 nan 8.290 nan 0.000 0.523 134 G N -0.895 107.935 108.800 0.050 0.000 2.593 134 G HA2 -0.134 -2.376 3.960 -10.338 0.000 0.237 134 G HA3 -0.134 -2.376 3.960 -10.338 0.000 0.237 134 G C -0.326 174.471 174.900 -0.172 0.000 1.312 134 G CA -0.014 45.099 45.100 0.022 0.000 0.896 134 G HN 0.998 nan 8.290 nan 0.000 0.574 135 H N -1.161 117.961 119.070 0.086 0.000 2.679 135 H HA 0.493 -1.154 4.556 -10.339 0.000 0.367 135 H C 0.148 175.308 175.328 -0.280 0.000 1.162 135 H CA -0.299 55.685 56.048 -0.106 0.000 1.181 135 H CB 1.711 31.444 29.762 -0.049 0.000 1.693 135 H HN 0.471 nan 8.280 nan 0.000 0.538 136 V N 2.361 121.999 119.914 -0.460 0.000 2.540 136 V HA -0.086 -2.168 4.120 -10.338 0.000 0.297 136 V C 0.707 176.758 176.094 -0.071 0.000 1.024 136 V CA 0.250 62.251 62.300 -0.498 0.000 1.105 136 V CB 0.378 31.959 31.823 -0.404 0.000 0.938 136 V HN 0.706 nan 8.190 nan 0.000 0.482 137 S N 5.762 121.510 115.700 0.080 0.000 2.549 137 S HA 0.345 -1.388 4.470 -10.338 0.000 0.286 137 S C 1.123 175.794 174.600 0.118 0.000 1.314 137 S CA -0.081 58.219 58.200 0.167 0.000 1.062 137 S CB 0.216 63.631 63.200 0.358 0.000 0.865 137 S HN 0.737 nan 8.310 nan 0.000 0.498 138 L N -0.082 121.194 121.223 0.088 0.000 3.271 138 L HA -0.220 -2.083 4.340 -10.338 0.000 0.385 138 L C 0.700 177.623 176.870 0.089 0.000 0.696 138 L CA 1.128 56.017 54.840 0.082 0.000 3.118 138 L CB -2.011 40.103 42.059 0.092 0.000 0.639 138 L HN 0.624 nan 8.230 nan 0.000 0.752 139 V N -0.040 119.930 119.914 0.093 0.000 2.493 139 V HA 0.563 -1.520 4.120 -10.338 0.000 0.292 139 V C 0.664 176.761 176.094 0.006 0.000 1.016 139 V CA 0.610 62.943 62.300 0.054 0.000 1.097 139 V CB 0.857 32.684 31.823 0.007 0.000 0.947 139 V HN 0.397 nan 8.190 nan 0.000 0.479 140 R N 4.983 125.483 120.500 0.000 0.000 2.445 140 R HA 0.829 -1.034 4.340 -10.338 0.000 0.308 140 R C -1.833 174.448 176.300 -0.032 0.000 0.961 140 R CA -1.230 54.861 56.100 -0.016 0.000 0.862 140 R CB 0.230 30.528 30.300 -0.003 0.000 1.144 140 R HN 0.979 nan 8.270 nan 0.000 0.447 141 P HA 0.235 nan 4.420 nan 0.000 0.281 141 P C -0.878 176.390 177.300 -0.053 0.000 1.249 141 P CA -0.604 62.469 63.100 -0.044 0.000 0.810 141 P CB 0.947 32.621 31.700 -0.042 0.000 1.008 142 Q N 1.330 121.085 119.800 -0.075 0.000 2.315 142 Q HA 0.145 -1.718 4.340 -10.338 0.000 0.289 142 Q C 0.496 176.474 176.000 -0.036 0.000 1.044 142 Q CA 0.515 56.258 55.803 -0.101 0.000 0.920 142 Q CB 0.438 29.020 28.738 -0.259 0.000 1.214 142 Q HN 0.460 nan 8.270 nan 0.000 0.392 143 R N 1.825 122.368 120.500 0.073 0.000 2.707 143 R HA 0.604 -1.259 4.340 -10.338 0.000 0.272 143 R C -3.083 173.299 176.300 0.136 0.000 1.011 143 R CA -2.136 54.039 56.100 0.126 0.000 0.893 143 R CB 1.405 31.699 30.300 -0.010 0.000 1.233 143 R HN 0.265 nan 8.270 nan 0.000 0.464 144 P HA 0.049 nan 4.420 nan 0.000 0.274 144 P C -0.982 176.240 177.300 -0.130 0.000 1.246 144 P CA -0.241 62.761 63.100 -0.163 0.000 0.795 144 P CB 0.373 32.006 31.700 -0.112 0.000 1.006 145 Y N -0.147 120.126 120.300 -0.045 0.000 2.526 145 Y HA 0.109 -1.548 4.550 -10.345 0.000 0.330 145 Y C 1.365 177.251 175.900 -0.023 0.000 1.156 145 Y CA -0.131 57.958 58.100 -0.020 0.000 1.419 145 Y CB -0.036 38.415 38.460 -0.014 0.000 1.250 145 Y HN 0.139 nan 8.280 nan 0.000 0.540 146 V N 0.490 120.475 119.914 0.118 0.000 3.096 146 V HA 0.179 -1.904 4.120 -10.338 0.000 0.306 146 V C 0.377 176.512 176.094 0.068 0.000 1.088 146 V CA -1.035 61.303 62.300 0.064 0.000 1.129 146 V CB 0.477 32.321 31.823 0.034 0.000 1.014 146 V HN 0.764 nan 8.190 nan 0.000 0.486 147 T N 6.296 120.870 114.554 0.034 0.000 2.853 147 T HA 0.269 -1.583 4.350 -10.338 0.000 0.298 147 T C -1.887 172.820 174.700 0.012 0.000 0.978 147 T CA -0.023 62.087 62.100 0.017 0.000 1.152 147 T CB 0.386 69.256 68.868 0.004 0.000 0.914 147 T HN 0.880 nan 8.240 nan 0.000 0.539 148 P HA 0.241 nan 4.420 nan 0.000 0.277 148 P C -0.370 176.924 177.300 -0.009 0.000 1.271 148 P CA -0.793 62.307 63.100 0.001 0.000 0.795 148 P CB 0.878 32.571 31.700 -0.012 0.000 1.101 149 R N 0.400 120.897 120.500 -0.006 0.000 2.254 149 R HA 0.525 -1.338 4.340 -10.338 0.000 0.318 149 R C -0.316 175.974 176.300 -0.017 0.000 1.031 149 R CA -0.569 55.525 56.100 -0.010 0.000 0.905 149 R CB 0.362 30.660 30.300 -0.004 0.000 1.050 149 R HN 0.548 nan 8.270 nan 0.000 0.456 150 A N 5.859 128.664 122.820 -0.026 0.000 2.409 150 A HA 0.211 -1.671 4.320 -10.338 0.000 0.267 150 A C 0.133 177.709 177.584 -0.013 0.000 1.127 150 A CA -0.447 51.567 52.037 -0.038 0.000 0.795 150 A CB 0.159 19.131 19.000 -0.048 0.000 1.061 150 A HN 0.792 nan 8.150 nan 0.000 0.502 151 L N 2.892 124.118 121.223 0.006 0.000 2.540 151 L HA 0.031 -1.832 4.340 -10.338 0.000 0.276 151 L C 0.867 177.748 176.870 0.019 0.000 1.212 151 L CA -0.004 54.852 54.840 0.026 0.000 0.893 151 L CB 0.218 42.321 42.059 0.074 0.000 1.138 151 L HN 0.671 nan 8.230 nan 0.000 0.491 152 E N 1.858 122.062 120.200 0.007 0.000 2.390 152 E HA -0.034 -1.887 4.350 -10.338 0.000 0.261 152 E C 0.807 177.410 176.600 0.006 0.000 1.076 152 E CA -0.362 56.044 56.400 0.009 0.000 0.905 152 E CB 1.125 30.827 29.700 0.004 0.000 0.984 152 E HN 0.422 nan 8.360 nan 0.000 0.427 153 L N 2.983 124.220 121.223 0.024 0.000 2.013 153 L HA -0.242 -2.105 4.340 -10.338 0.000 0.212 153 L C 1.549 178.419 176.870 -0.001 0.000 1.073 153 L CA 2.420 57.280 54.840 0.033 0.000 0.753 153 L CB -0.596 41.510 42.059 0.078 0.000 0.890 153 L HN 0.576 nan 8.230 nan 0.000 0.432 154 D N -1.744 118.659 120.400 0.005 0.000 2.363 154 D HA -0.140 -1.703 4.640 -10.338 0.000 0.226 154 D C 1.511 177.799 176.300 -0.019 0.000 1.020 154 D CA 0.626 54.626 54.000 -0.001 0.000 0.892 154 D CB -0.375 40.429 40.800 0.008 0.000 0.900 154 D HN 0.575 nan 8.370 nan 0.000 0.531 155 E N -0.148 120.032 120.200 -0.033 0.000 2.385 155 E HA 0.117 -1.735 4.350 -10.338 0.000 0.194 155 E C 1.966 178.519 176.600 -0.079 0.000 1.013 155 E CA -0.029 56.346 56.400 -0.041 0.000 0.866 155 E CB 0.235 29.918 29.700 -0.029 0.000 0.832 155 E HN 0.365 nan 8.360 nan 0.000 0.500 156 I N 1.434 121.920 120.570 -0.141 0.000 2.315 156 I HA -0.145 -2.178 4.170 -10.338 0.000 0.248 156 I C -0.817 175.194 176.117 -0.177 0.000 1.117 156 I CA 0.757 61.899 61.300 -0.263 0.000 1.404 156 I CB -1.049 36.603 38.000 -0.580 0.000 1.071 156 I HN 0.035 nan 8.210 nan 0.000 0.419 157 P HA -0.120 nan 4.420 nan 0.000 0.218 157 P C 1.661 178.951 177.300 -0.017 0.000 1.149 157 P CA 1.500 64.579 63.100 -0.035 0.000 0.817 157 P CB -0.206 31.490 31.700 -0.007 0.000 0.785 158 G N -0.304 108.483 108.800 -0.022 0.000 2.422 158 G HA2 -0.219 -2.461 3.960 -10.338 0.000 0.218 158 G HA3 -0.219 -2.461 3.960 -10.338 0.000 0.218 158 G C 1.623 176.532 174.900 0.015 0.000 1.146 158 G CA 0.578 45.675 45.100 -0.005 0.000 0.769 158 G HN 0.153 nan 8.290 nan 0.000 0.547 159 V N 0.521 120.437 119.914 0.005 0.000 2.295 159 V HA -0.178 -2.261 4.120 -10.338 0.000 0.246 159 V C 3.042 179.248 176.094 0.187 0.000 1.049 159 V CA 1.583 63.926 62.300 0.072 0.000 1.024 159 V CB -0.420 31.386 31.823 -0.029 0.000 0.648 159 V HN 0.252 nan 8.190 nan 0.000 0.447 160 V N 0.332 120.299 119.914 0.089 0.000 2.343 160 V HA -0.267 -2.350 4.120 -10.338 0.000 0.247 160 V C 2.681 178.863 176.094 0.146 0.000 1.051 160 V CA 2.023 64.392 62.300 0.114 0.000 1.036 160 V CB -1.159 30.676 31.823 0.020 0.000 0.654 160 V HN 0.569 nan 8.190 nan 0.000 0.451 161 A N -0.126 122.747 122.820 0.089 0.000 1.972 161 A HA -0.070 -1.953 4.320 -10.338 0.000 0.219 161 A C 2.411 180.043 177.584 0.081 0.000 1.169 161 A CA 1.927 54.007 52.037 0.073 0.000 0.635 161 A CB -0.645 18.380 19.000 0.041 0.000 0.810 161 A HN 0.566 nan 8.150 nan 0.000 0.446 162 A N -1.120 121.745 122.820 0.075 0.000 1.898 162 A HA 0.019 -1.864 4.320 -10.338 0.000 0.216 162 A C 1.941 179.526 177.584 0.002 0.000 1.181 162 A CA 1.415 53.462 52.037 0.016 0.000 0.620 162 A CB -0.717 18.259 19.000 -0.041 0.000 0.819 162 A HN 0.452 nan 8.150 nan 0.000 0.442 163 F N -0.370 119.613 119.950 0.057 0.000 2.134 163 F HA -0.097 -1.793 4.527 -10.372 0.000 0.299 163 F C 2.524 178.361 175.800 0.063 0.000 1.097 163 F CA 1.768 59.806 58.000 0.062 0.000 1.264 163 F CB -0.211 38.816 39.000 0.045 0.000 1.001 163 F HN 0.128 nan 8.300 nan 0.000 0.479 164 R N 0.021 120.656 120.500 0.225 0.000 2.073 164 R HA -0.196 -2.059 4.340 -10.338 0.000 0.234 164 R C 2.376 178.745 176.300 0.115 0.000 1.134 164 R CA 1.522 57.712 56.100 0.150 0.000 0.952 164 R CB -0.192 30.170 30.300 0.104 0.000 0.850 164 R HN 0.049 nan 8.270 nan 0.000 0.433 165 R N -0.122 120.433 120.500 0.093 0.000 2.092 165 R HA -0.038 -1.901 4.340 -10.338 0.000 0.231 165 R C 2.103 178.455 176.300 0.088 0.000 1.119 165 R CA 1.704 57.851 56.100 0.078 0.000 0.970 165 R CB -0.946 29.398 30.300 0.073 0.000 0.864 165 R HN 0.374 nan 8.270 nan 0.000 0.440 166 G N -0.366 108.483 108.800 0.082 0.000 2.469 166 G HA2 -0.306 -2.549 3.960 -10.338 0.000 0.219 166 G HA3 -0.306 -2.549 3.960 -10.338 0.000 0.219 166 G C 1.505 176.463 174.900 0.096 0.000 1.150 166 G CA 0.953 46.093 45.100 0.066 0.000 0.763 166 G HN 0.488 nan 8.290 nan 0.000 0.561 167 A N 0.549 123.465 122.820 0.160 0.000 1.968 167 A HA 0.097 -1.786 4.320 -10.338 0.000 0.217 167 A C 2.151 179.882 177.584 0.245 0.000 1.169 167 A CA 1.765 53.981 52.037 0.299 0.000 0.638 167 A CB -0.271 18.940 19.000 0.352 0.000 0.812 167 A HN 0.458 nan 8.150 nan 0.000 0.446 168 E N 0.147 120.400 120.200 0.088 0.000 2.051 168 E HA -0.178 -2.031 4.350 -10.338 0.000 0.192 168 E C 1.687 178.296 176.600 0.014 0.000 0.991 168 E CA 1.251 57.642 56.400 -0.014 0.000 0.799 168 E CB -0.177 29.522 29.700 -0.003 0.000 0.748 168 E HN 0.505 nan 8.360 nan 0.000 0.449 169 N N 0.536 119.277 118.700 0.068 0.000 2.188 169 N HA -0.091 -1.554 4.740 -10.338 0.000 0.184 169 N C 1.618 177.208 175.510 0.133 0.000 1.018 169 N CA 1.145 54.248 53.050 0.088 0.000 0.858 169 N CB -0.289 38.256 38.487 0.097 0.000 0.989 169 N HN 0.135 nan 8.380 nan 0.000 0.426 170 A N 1.114 124.023 122.820 0.147 0.000 1.902 170 A HA -0.138 -2.021 4.320 -10.338 0.000 0.217 170 A C 2.279 180.142 177.584 0.465 0.000 1.181 170 A CA 1.297 53.472 52.037 0.230 0.000 0.623 170 A CB -0.441 18.587 19.000 0.046 0.000 0.818 170 A HN 0.232 nan 8.150 nan 0.000 0.443 171 R N -0.513 120.151 120.500 0.273 0.000 2.066 171 R HA -0.055 -1.918 4.340 -10.338 0.000 0.232 171 R C 2.304 178.590 176.300 -0.024 0.000 1.131 171 R CA 1.312 57.326 56.100 -0.143 0.000 0.955 171 R CB -0.390 29.419 30.300 -0.817 0.000 0.851 171 R HN 0.430 nan 8.270 nan 0.000 0.432 172 A N 0.494 123.315 122.820 0.001 0.000 2.019 172 A HA -0.077 -1.960 4.320 -10.338 0.000 0.219 172 A C 2.129 179.764 177.584 0.086 0.000 1.164 172 A CA 1.610 53.664 52.037 0.027 0.000 0.644 172 A CB -0.495 18.521 19.000 0.028 0.000 0.805 172 A HN 0.514 nan 8.150 nan 0.000 0.449 173 A N -1.864 121.056 122.820 0.166 0.000 2.208 173 A HA 0.409 -1.474 4.320 -10.338 0.000 0.209 173 A C 1.719 179.357 177.584 0.090 0.000 1.161 173 A CA 1.187 53.336 52.037 0.187 0.000 0.782 173 A CB -0.826 18.382 19.000 0.347 0.000 0.816 173 A HN 1.889 nan 8.150 nan 0.000 0.477 174 G N -1.821 107.059 108.800 0.133 0.000 2.132 174 G HA2 -0.229 -2.472 3.960 -10.338 0.000 0.228 174 G HA3 -0.229 -2.472 3.960 -10.338 0.000 0.228 174 G C -0.041 174.937 174.900 0.130 0.000 1.000 174 G CA -0.047 45.120 45.100 0.111 0.000 0.693 174 G HN 0.276 nan 8.290 nan 0.000 0.515 175 F N 0.657 120.732 119.950 0.207 0.000 2.444 175 F HA 0.303 -1.363 4.527 -10.323 0.000 0.331 175 F C 1.687 177.632 175.800 0.241 0.000 1.167 175 F CA 0.339 58.425 58.000 0.143 0.000 1.262 175 F CB 0.549 39.516 39.000 -0.056 0.000 1.196 175 F HN 0.025 nan 8.300 nan 0.000 0.583 176 D N 0.580 121.167 120.400 0.311 0.000 2.323 176 D HA 0.171 -1.391 4.640 -10.338 0.000 0.209 176 D C 0.860 176.950 176.300 -0.350 0.000 0.973 176 D CA 0.914 55.041 54.000 0.211 0.000 0.874 176 D CB 0.387 41.419 40.800 0.386 0.000 0.930 176 D HN 0.643 nan 8.370 nan 0.000 0.521 177 G N -0.171 107.875 108.800 -1.256 0.000 2.321 177 G HA2 0.374 -1.869 3.960 -10.338 0.000 0.296 177 G HA3 0.374 -1.869 3.960 -10.338 0.000 0.296 177 G C -1.647 171.938 174.900 -2.191 0.000 1.287 177 G CA -0.217 43.337 45.100 -2.575 0.000 0.846 177 G HN 0.108 nan 8.290 nan 0.000 0.508 178 V N -2.777 116.060 119.914 -1.794 0.000 2.876 178 V HA 0.886 -1.197 4.120 -10.338 0.000 0.312 178 V C -0.638 175.235 176.094 -0.368 0.000 1.085 178 V CA -0.861 60.904 62.300 -0.891 0.000 0.945 178 V CB 1.948 33.340 31.823 -0.718 0.000 1.017 178 V HN 0.971 nan 8.190 nan 0.000 0.428 179 E N 2.356 122.477 120.200 -0.133 0.000 2.158 179 E HA 0.577 -1.276 4.350 -10.338 0.000 0.271 179 E C -1.320 175.247 176.600 -0.055 0.000 0.911 179 E CA -0.711 55.663 56.400 -0.044 0.000 0.767 179 E CB 2.206 31.959 29.700 0.088 0.000 1.120 179 E HN 0.742 nan 8.360 nan 0.000 0.405 180 V N 4.543 124.436 119.914 -0.034 0.000 2.488 180 V HA 0.001 -2.082 4.120 -10.338 0.000 0.277 180 V C 0.316 176.489 176.094 0.131 0.000 1.046 180 V CA -0.347 61.983 62.300 0.051 0.000 0.986 180 V CB 0.786 32.596 31.823 -0.021 0.000 0.989 180 V HN 0.608 nan 8.190 nan 0.000 0.475 181 H N 4.206 123.340 119.070 0.107 0.000 3.014 181 H HA 0.309 -1.313 4.556 -10.297 0.000 0.266 181 H C 0.943 176.390 175.328 0.198 0.000 1.455 181 H CA -0.476 55.637 56.048 0.108 0.000 1.402 181 H CB 0.637 30.453 29.762 0.090 0.000 1.626 181 H HN 0.711 nan 8.280 nan 0.000 0.520 182 G N 2.724 111.783 108.800 0.431 0.000 3.523 182 G HA2 0.451 -1.792 3.960 -10.338 0.000 0.270 182 G HA3 0.451 -1.792 3.960 -10.338 0.000 0.270 182 G C 0.254 175.391 174.900 0.396 0.000 1.134 182 G CA 0.368 45.658 45.100 0.317 0.000 0.825 182 G HN 0.687 nan 8.290 nan 0.000 0.534 183 A N -0.199 122.962 122.820 0.568 0.000 2.443 183 A HA 0.661 -1.221 4.320 -10.338 0.000 0.278 183 A C 0.649 178.490 177.584 0.428 0.000 1.252 183 A CA -0.533 51.821 52.037 0.527 0.000 0.816 183 A CB 0.622 20.042 19.000 0.700 0.000 1.369 183 A HN 0.190 nan 8.150 nan 0.000 0.446 184 N N -0.899 118.004 118.700 0.339 0.000 2.725 184 N HA -0.182 -1.645 4.740 -10.338 0.000 0.249 184 N C 0.807 176.282 175.510 -0.059 0.000 1.103 184 N CA 2.601 55.777 53.050 0.211 0.000 0.707 184 N CB -1.608 37.107 38.487 0.379 0.000 1.043 184 N HN 2.262 nan 8.380 nan 0.000 0.553 185 G N -2.214 106.589 108.800 0.005 0.000 2.160 185 G HA2 -0.385 -2.628 3.960 -10.338 0.000 0.251 185 G HA3 -0.385 -2.628 3.960 -10.338 0.000 0.251 185 G C 0.194 174.979 174.900 -0.192 0.000 1.008 185 G CA 0.771 45.830 45.100 -0.068 0.000 0.724 185 G HN 0.589 nan 8.290 nan 0.000 0.514 186 Y N -1.785 118.576 120.300 0.102 0.000 2.378 186 Y HA 0.519 -0.857 4.550 -9.877 0.000 0.351 186 Y C 1.818 177.773 175.900 0.092 0.000 1.351 186 Y CA -0.563 57.583 58.100 0.076 0.000 1.616 186 Y CB 0.071 38.591 38.460 0.101 0.000 1.622 186 Y HN 0.043 nan 8.280 nan 0.000 0.568 187 L N 0.457 121.862 121.223 0.304 0.000 1.990 187 L HA -0.239 -2.102 4.340 -10.338 0.000 0.213 187 L C 1.690 178.705 176.870 0.241 0.000 1.072 187 L CA 1.880 56.841 54.840 0.202 0.000 0.755 187 L CB -0.928 41.161 42.059 0.049 0.000 0.889 187 L HN 0.652 nan 8.230 nan 0.000 0.432 188 L N -1.037 120.296 121.223 0.183 0.000 2.217 188 L HA -0.132 -1.995 4.340 -10.338 0.000 0.211 188 L C 2.154 179.128 176.870 0.173 0.000 1.107 188 L CA 1.161 56.072 54.840 0.118 0.000 0.783 188 L CB -0.746 41.317 42.059 0.008 0.000 0.919 188 L HN 0.310 nan 8.230 nan 0.000 0.442 189 D N -0.066 120.447 120.400 0.188 0.000 2.224 189 D HA -0.148 -1.711 4.640 -10.338 0.000 0.205 189 D C 2.251 178.630 176.300 0.133 0.000 0.965 189 D CA 0.979 55.083 54.000 0.174 0.000 0.852 189 D CB 0.219 41.144 40.800 0.208 0.000 0.947 189 D HN 0.285 nan 8.370 nan 0.000 0.494 190 Q N -1.063 118.816 119.800 0.132 0.000 2.079 190 Q HA -0.091 -1.954 4.340 -10.338 0.000 0.200 190 Q C 1.960 177.963 176.000 0.006 0.000 0.974 190 Q CA 1.023 56.853 55.803 0.046 0.000 0.840 190 Q CB -0.178 28.566 28.738 0.011 0.000 0.898 190 Q HN 0.310 nan 8.270 nan 0.000 0.430 191 F N 0.157 120.103 119.950 -0.007 0.000 2.171 191 F HA -0.201 -1.884 4.527 -10.350 0.000 0.300 191 F C 1.994 177.786 175.800 -0.014 0.000 1.090 191 F CA 0.785 58.783 58.000 -0.004 0.000 1.293 191 F CB -0.197 38.806 39.000 0.005 0.000 1.013 191 F HN 0.111 nan 8.300 nan 0.000 0.486 192 L N -0.276 121.031 121.223 0.141 0.000 2.056 192 L HA -0.069 -1.932 4.340 -10.338 0.000 0.207 192 L C 0.812 177.651 176.870 -0.052 0.000 1.078 192 L CA 1.562 56.408 54.840 0.010 0.000 0.749 192 L CB -0.443 41.577 42.059 -0.064 0.000 0.901 192 L HN 0.048 nan 8.230 nan 0.000 0.433 193 Q N -0.124 119.665 119.800 -0.019 0.000 2.245 193 Q HA 0.136 -1.727 4.340 -10.338 0.000 0.256 193 Q C 0.178 176.167 176.000 -0.019 0.000 0.942 193 Q CA 0.094 55.889 55.803 -0.012 0.000 0.896 193 Q CB 1.334 30.104 28.738 0.053 0.000 1.272 193 Q HN 0.284 nan 8.270 nan 0.000 0.442 194 D N 0.254 120.644 120.400 -0.016 0.000 2.349 194 D HA -0.119 -1.682 4.640 -10.338 0.000 0.224 194 D C 1.278 177.564 176.300 -0.024 0.000 1.029 194 D CA 0.612 54.596 54.000 -0.026 0.000 0.879 194 D CB 0.092 40.878 40.800 -0.023 0.000 0.906 194 D HN 0.417 nan 8.370 nan 0.000 0.528 195 S N -0.240 115.453 115.700 -0.011 0.000 2.406 195 S HA 0.116 -1.617 4.470 -10.338 0.000 0.228 195 S C 1.979 176.557 174.600 -0.035 0.000 1.020 195 S CA 0.604 58.795 58.200 -0.015 0.000 0.965 195 S CB -0.160 63.041 63.200 0.001 0.000 0.798 195 S HN 0.354 nan 8.310 nan 0.000 0.488 196 A N 1.168 123.958 122.820 -0.049 0.000 2.108 196 A HA 0.363 -1.519 4.320 -10.338 0.000 0.206 196 A C 0.945 178.448 177.584 -0.134 0.000 1.212 196 A CA -0.015 51.973 52.037 -0.082 0.000 0.843 196 A CB -0.148 18.808 19.000 -0.074 0.000 0.902 196 A HN 0.447 nan 8.150 nan 0.000 0.477 197 N N 0.913 119.531 118.700 -0.136 0.000 2.485 197 N HA 0.233 -1.230 4.740 -10.338 0.000 0.243 197 N C -0.215 175.225 175.510 -0.117 0.000 0.987 197 N CA -0.294 52.642 53.050 -0.189 0.000 0.940 197 N CB 0.596 38.968 38.487 -0.191 0.000 1.122 197 N HN 0.027 nan 8.380 nan 0.000 0.509 198 R N 2.538 122.970 120.500 -0.113 0.000 2.613 198 R HA 0.232 -1.630 4.340 -10.338 0.000 0.361 198 R C 0.097 176.361 176.300 -0.060 0.000 1.072 198 R CA -0.298 55.760 56.100 -0.071 0.000 1.089 198 R CB -0.011 30.254 30.300 -0.059 0.000 1.343 198 R HN 0.455 nan 8.270 nan 0.000 0.571 199 R N 0.590 121.048 120.500 -0.069 0.000 2.734 199 R HA 0.051 -1.811 4.340 -10.338 0.000 0.266 199 R C 0.880 177.177 176.300 -0.005 0.000 1.044 199 R CA 0.843 56.924 56.100 -0.031 0.000 1.128 199 R CB 0.394 30.689 30.300 -0.008 0.000 1.010 199 R HN 0.069 nan 8.270 nan 0.000 0.461 200 T N -3.255 111.303 114.554 0.008 0.000 3.145 200 T HA 0.066 -1.787 4.350 -10.338 0.000 0.281 200 T C -0.045 174.667 174.700 0.021 0.000 1.003 200 T CA -0.556 61.549 62.100 0.008 0.000 0.901 200 T CB -0.167 68.701 68.868 0.000 0.000 1.112 200 T HN 0.645 nan 8.240 nan 0.000 0.535 201 D N 1.237 121.665 120.400 0.048 0.000 2.567 201 D HA 0.594 -0.969 4.640 -10.338 0.000 0.275 201 D C 1.605 177.937 176.300 0.054 0.000 1.195 201 D CA -0.528 53.510 54.000 0.063 0.000 1.087 201 D CB 0.261 41.124 40.800 0.105 0.000 1.165 201 D HN 0.004 nan 8.370 nan 0.000 0.609 202 A N -1.536 121.304 122.820 0.034 0.000 2.216 202 A HA -0.078 -1.961 4.320 -10.338 0.000 0.214 202 A C 1.011 178.443 177.584 -0.253 0.000 1.160 202 A CA 0.770 52.739 52.037 -0.114 0.000 0.725 202 A CB -1.030 17.858 19.000 -0.186 0.000 0.784 202 A HN 0.529 nan 8.150 nan 0.000 0.472 203 Y N -0.781 119.564 120.300 0.076 0.000 2.524 203 Y HA 0.418 -1.233 4.550 -10.335 0.000 0.266 203 Y C 1.258 177.240 175.900 0.136 0.000 1.180 203 Y CA 0.096 58.284 58.100 0.147 0.000 1.244 203 Y CB 0.388 39.015 38.460 0.278 0.000 1.125 203 Y HN 0.310 nan 8.280 nan 0.000 0.524 204 G N -2.079 106.798 108.800 0.127 0.000 2.708 204 G HA2 0.521 -1.721 3.960 -10.338 0.000 0.289 204 G HA3 0.521 -1.721 3.960 -10.338 0.000 0.289 204 G C 0.212 175.114 174.900 0.002 0.000 1.416 204 G CA -0.192 44.939 45.100 0.052 0.000 0.829 204 G HN 0.322 nan 8.290 nan 0.000 0.480 205 G N -0.064 108.727 108.800 -0.016 0.000 3.675 205 G HA2 -0.024 -2.266 3.960 -10.338 0.000 0.275 205 G HA3 -0.024 -2.266 3.960 -10.338 0.000 0.275 205 G C 1.115 175.990 174.900 -0.043 0.000 1.648 205 G CA 0.868 45.951 45.100 -0.028 0.000 1.093 205 G HN 2.348 nan 8.290 nan 0.000 0.617 206 S N 1.098 116.765 115.700 -0.055 0.000 2.584 206 S HA 0.538 -1.195 4.470 -10.338 0.000 0.270 206 S C 1.654 176.186 174.600 -0.113 0.000 1.346 206 S CA 0.258 58.410 58.200 -0.081 0.000 1.018 206 S CB 1.094 64.241 63.200 -0.088 0.000 0.899 206 S HN 0.836 nan 8.310 nan 0.000 0.542 207 I N 0.886 121.361 120.570 -0.160 0.000 2.208 207 I HA -0.210 -2.243 4.170 -10.338 0.000 0.245 207 I C 2.851 178.767 176.117 -0.335 0.000 1.097 207 I CA 1.993 63.150 61.300 -0.237 0.000 1.363 207 I CB -0.460 37.367 38.000 -0.289 0.000 1.051 207 I HN 0.894 nan 8.210 nan 0.000 0.413 208 E N 1.064 121.036 120.200 -0.379 0.000 2.085 208 E HA -0.258 -2.110 4.350 -10.338 0.000 0.194 208 E C 1.869 178.392 176.600 -0.129 0.000 0.994 208 E CA 1.509 57.737 56.400 -0.286 0.000 0.801 208 E CB 0.052 29.652 29.700 -0.167 0.000 0.743 208 E HN 0.451 nan 8.360 nan 0.000 0.453 209 N N 0.359 118.987 118.700 -0.120 0.000 2.188 209 N HA -0.091 -1.554 4.740 -10.338 0.000 0.184 209 N C 1.733 177.232 175.510 -0.019 0.000 1.018 209 N CA 0.880 53.868 53.050 -0.103 0.000 0.858 209 N CB -0.183 38.254 38.487 -0.084 0.000 0.989 209 N HN 0.136 nan 8.380 nan 0.000 0.426 210 R N 0.316 120.812 120.500 -0.007 0.000 2.090 210 R HA 0.160 -1.702 4.340 -10.338 0.000 0.228 210 R C 1.839 178.188 176.300 0.080 0.000 1.110 210 R CA 1.072 57.211 56.100 0.064 0.000 0.973 210 R CB -0.126 30.173 30.300 -0.001 0.000 0.869 210 R HN 0.131 nan 8.270 nan 0.000 0.440 211 A N 0.642 123.473 122.820 0.019 0.000 2.206 211 A HA -0.052 -1.935 4.320 -10.338 0.000 0.211 211 A C 1.915 179.533 177.584 0.056 0.000 1.158 211 A CA 0.420 52.487 52.037 0.050 0.000 0.761 211 A CB -0.337 18.739 19.000 0.126 0.000 0.801 211 A HN 0.191 nan 8.150 nan 0.000 0.473 212 R N -0.599 119.925 120.500 0.039 0.000 2.083 212 R HA -0.169 -2.031 4.340 -10.338 0.000 0.237 212 R C 1.983 178.319 176.300 0.060 0.000 1.137 212 R CA 1.895 57.996 56.100 0.001 0.000 0.951 212 R CB -0.400 29.787 30.300 -0.189 0.000 0.851 212 R HN 0.441 nan 8.270 nan 0.000 0.434 213 L N 0.961 122.248 121.223 0.108 0.000 2.017 213 L HA -0.140 -2.003 4.340 -10.338 0.000 0.208 213 L C 2.152 178.938 176.870 -0.141 0.000 1.073 213 L CA 1.544 56.349 54.840 -0.059 0.000 0.745 213 L CB -0.759 41.029 42.059 -0.452 0.000 0.894 213 L HN 0.327 nan 8.230 nan 0.000 0.432 214 L N -0.678 120.481 121.223 -0.106 0.000 2.013 214 L HA -0.228 -2.091 4.340 -10.338 0.000 0.212 214 L C 2.281 179.095 176.870 -0.092 0.000 1.073 214 L CA 2.004 56.776 54.840 -0.113 0.000 0.753 214 L CB -0.703 41.331 42.059 -0.040 0.000 0.890 214 L HN 0.326 nan 8.230 nan 0.000 0.432 215 L N -0.972 120.227 121.223 -0.040 0.000 2.141 215 L HA -0.154 -2.016 4.340 -10.338 0.000 0.209 215 L C 2.502 179.354 176.870 -0.030 0.000 1.094 215 L CA 1.195 56.021 54.840 -0.024 0.000 0.763 215 L CB -0.581 41.480 42.059 0.003 0.000 0.908 215 L HN 0.360 nan 8.230 nan 0.000 0.437 216 E N -0.288 119.895 120.200 -0.029 0.000 2.106 216 E HA -0.172 -2.025 4.350 -10.338 0.000 0.192 216 E C 2.285 178.853 176.600 -0.054 0.000 0.984 216 E CA 1.073 57.460 56.400 -0.021 0.000 0.806 216 E CB 0.051 29.759 29.700 0.014 0.000 0.750 216 E HN 0.251 nan 8.360 nan 0.000 0.458 217 V N 0.622 120.455 119.914 -0.136 0.000 2.358 217 V HA -0.211 -2.294 4.120 -10.338 0.000 0.246 217 V C 2.293 178.319 176.094 -0.112 0.000 1.047 217 V CA 1.166 63.343 62.300 -0.205 0.000 1.035 217 V CB -0.228 31.256 31.823 -0.566 0.000 0.658 217 V HN 0.135 nan 8.190 nan 0.000 0.452 218 V N 0.336 120.191 119.914 -0.099 0.000 2.332 218 V HA -0.276 -2.359 4.120 -10.338 0.000 0.248 218 V C 2.263 178.352 176.094 -0.007 0.000 1.055 218 V CA 2.254 64.525 62.300 -0.049 0.000 1.038 218 V CB -0.706 31.092 31.823 -0.041 0.000 0.651 218 V HN 0.572 nan 8.190 nan 0.000 0.450 219 D N 0.250 120.648 120.400 -0.004 0.000 2.178 219 D HA -0.081 -1.644 4.640 -10.338 0.000 0.202 219 D C 2.216 178.536 176.300 0.034 0.000 0.974 219 D CA 1.505 55.516 54.000 0.017 0.000 0.841 219 D CB -0.243 40.565 40.800 0.013 0.000 0.953 219 D HN 0.457 nan 8.370 nan 0.000 0.478 220 A N 1.104 123.945 122.820 0.035 0.000 1.930 220 A HA -0.019 -1.902 4.320 -10.338 0.000 0.217 220 A C 2.317 179.959 177.584 0.096 0.000 1.175 220 A CA 1.983 54.056 52.037 0.062 0.000 0.627 220 A CB -0.565 18.479 19.000 0.072 0.000 0.815 220 A HN 0.230 nan 8.150 nan 0.000 0.443 221 A N 0.035 122.917 122.820 0.103 0.000 1.873 221 A HA -0.064 -1.947 4.320 -10.338 0.000 0.215 221 A C 2.098 179.799 177.584 0.194 0.000 1.186 221 A CA 1.458 53.595 52.037 0.168 0.000 0.616 221 A CB -0.616 18.436 19.000 0.086 0.000 0.823 221 A HN 0.479 nan 8.150 nan 0.000 0.442 222 I N 0.126 120.764 120.570 0.113 0.000 2.264 222 I HA -0.270 -2.303 4.170 -10.338 0.000 0.248 222 I C 1.723 177.898 176.117 0.097 0.000 1.111 222 I CA 1.492 62.856 61.300 0.106 0.000 1.382 222 I CB -0.477 37.562 38.000 0.064 0.000 1.060 222 I HN 0.264 nan 8.210 nan 0.000 0.418 223 D N 0.331 120.776 120.400 0.074 0.000 2.144 223 D HA -0.132 -1.695 4.640 -10.338 0.000 0.199 223 D C 2.299 178.615 176.300 0.027 0.000 0.984 223 D CA 1.129 55.156 54.000 0.046 0.000 0.834 223 D CB -0.186 40.636 40.800 0.036 0.000 0.955 223 D HN 0.184 nan 8.370 nan 0.000 0.465 224 V N -1.030 118.911 119.914 0.046 0.000 2.379 224 V HA -0.117 -2.199 4.120 -10.338 0.000 0.243 224 V C 1.677 177.668 176.094 -0.172 0.000 1.035 224 V CA 1.128 63.386 62.300 -0.070 0.000 1.035 224 V CB -0.262 31.529 31.823 -0.054 0.000 0.673 224 V HN 0.228 nan 8.190 nan 0.000 0.457 225 W N 0.125 121.408 121.300 -0.027 0.000 2.907 225 W HA 0.401 -1.141 4.660 -10.337 0.000 0.271 225 W C 1.157 177.663 176.519 -0.020 0.000 1.253 225 W CA 0.986 58.307 57.345 -0.039 0.000 1.501 225 W CB 0.191 29.605 29.460 -0.077 0.000 1.047 225 W HN 0.347 nan 8.180 nan 0.000 0.610 226 S N -0.153 115.661 115.700 0.189 0.000 3.493 226 S HA -0.208 -1.941 4.470 -10.338 0.000 0.825 226 S C 0.712 175.395 174.600 0.140 0.000 1.181 226 S CA -0.159 58.120 58.200 0.133 0.000 1.045 226 S CB -1.056 62.208 63.200 0.106 0.000 0.630 226 S HN 0.726 nan 8.310 nan 0.000 0.345 227 A N 2.982 125.860 122.820 0.096 0.000 1.972 227 A HA 0.328 -1.555 4.320 -10.338 0.000 0.219 227 A C 2.657 180.296 177.584 0.092 0.000 1.169 227 A CA 2.423 54.508 52.037 0.080 0.000 0.635 227 A CB -1.604 17.436 19.000 0.067 0.000 0.810 227 A HN 2.318 nan 8.150 nan 0.000 0.446 228 A N -0.971 121.915 122.820 0.109 0.000 2.076 228 A HA -0.125 -2.008 4.320 -10.338 0.000 0.220 228 A C 1.797 179.485 177.584 0.173 0.000 1.160 228 A CA 1.347 53.463 52.037 0.132 0.000 0.653 228 A CB -0.205 18.869 19.000 0.123 0.000 0.801 228 A HN 0.319 nan 8.150 nan 0.000 0.455 229 R N -0.826 119.762 120.500 0.147 0.000 2.613 229 R HA 0.334 -1.529 4.340 -10.338 0.000 0.361 229 R C -0.979 175.207 176.300 -0.190 0.000 1.072 229 R CA 0.080 56.219 56.100 0.065 0.000 1.089 229 R CB 0.051 30.422 30.300 0.117 0.000 1.343 229 R HN 0.240 nan 8.270 nan 0.000 0.571 230 V N -0.112 119.766 119.914 -0.060 0.000 2.487 230 V HA 0.698 -1.385 4.120 -10.338 0.000 0.298 230 V C 0.469 176.406 176.094 -0.261 0.000 1.028 230 V CA -1.003 61.190 62.300 -0.178 0.000 0.860 230 V CB 1.950 33.706 31.823 -0.111 0.000 0.991 230 V HN 0.293 nan 8.190 nan 0.000 0.427 231 G N 2.781 111.302 108.800 -0.465 0.000 2.537 231 G HA2 0.750 -1.493 3.960 -10.338 0.000 0.323 231 G HA3 0.750 -1.493 3.960 -10.338 0.000 0.323 231 G C -1.416 173.193 174.900 -0.486 0.000 1.207 231 G CA -0.693 43.764 45.100 -1.072 0.000 0.976 231 G HN 0.569 nan 8.290 nan 0.000 0.487 232 V N -0.185 119.499 119.914 -0.383 0.000 2.841 232 V HA 0.399 -1.683 4.120 -10.338 0.000 0.310 232 V C -1.176 174.929 176.094 0.017 0.000 1.090 232 V CA -0.822 61.406 62.300 -0.119 0.000 0.930 232 V CB 2.018 33.774 31.823 -0.110 0.000 1.014 232 V HN 0.926 nan 8.190 nan 0.000 0.425 233 H N 3.762 122.824 119.070 -0.013 0.000 2.481 233 H HA 0.814 -0.817 4.556 -10.312 0.000 0.333 233 H C -1.098 174.290 175.328 0.100 0.000 1.066 233 H CA -0.271 55.774 56.048 -0.004 0.000 1.209 233 H CB 1.157 30.799 29.762 -0.200 0.000 1.445 233 H HN 0.539 nan 8.280 nan 0.000 0.488 234 L N 3.129 124.367 121.223 0.025 0.000 2.350 234 L HA 0.749 -1.114 4.340 -10.338 0.000 0.260 234 L C -0.802 176.114 176.870 0.077 0.000 1.015 234 L CA -1.268 53.679 54.840 0.178 0.000 0.821 234 L CB 2.277 44.474 42.059 0.230 0.000 1.370 234 L HN 0.721 nan 8.230 nan 0.000 0.416 235 A N 1.203 124.093 122.820 0.116 0.000 2.815 235 A HA 0.596 -1.287 4.320 -10.338 0.000 0.318 235 A C -2.335 175.123 177.584 -0.210 0.000 1.186 235 A CA -1.052 50.994 52.037 0.016 0.000 0.754 235 A CB 0.518 19.606 19.000 0.148 0.000 1.151 235 A HN 0.483 nan 8.150 nan 0.000 0.452 236 P HA -0.119 nan 4.420 nan 0.000 0.220 236 P C 1.462 178.492 177.300 -0.451 0.000 1.148 236 P CA 0.893 63.352 63.100 -1.068 0.000 0.803 236 P CB 0.184 31.444 31.700 -0.733 0.000 0.782 237 R N -1.076 119.313 120.500 -0.186 0.000 2.189 237 R HA 0.044 -1.819 4.340 -10.338 0.000 0.223 237 R C 1.230 177.530 176.300 0.001 0.000 1.092 237 R CA 0.986 57.050 56.100 -0.060 0.000 0.989 237 R CB -0.977 29.311 30.300 -0.019 0.000 0.876 237 R HN 0.197 nan 8.270 nan 0.000 0.457 238 G N 3.008 111.823 108.800 0.025 0.000 2.323 238 G HA2 -0.237 -2.480 3.960 -10.338 0.000 0.292 238 G HA3 -0.237 -2.480 3.960 -10.338 0.000 0.292 238 G C -0.028 174.902 174.900 0.051 0.000 1.040 238 G CA 0.738 45.888 45.100 0.083 0.000 0.942 238 G HN 0.546 nan 8.290 nan 0.000 0.506 239 D N -1.154 119.267 120.400 0.035 0.000 2.368 239 D HA 0.524 -1.039 4.640 -10.338 0.000 0.218 239 D C 0.892 177.187 176.300 -0.008 0.000 1.112 239 D CA 0.473 54.484 54.000 0.018 0.000 0.834 239 D CB 0.299 41.111 40.800 0.020 0.000 0.953 239 D HN 1.021 nan 8.370 nan 0.000 0.505 240 A N 0.044 122.853 122.820 -0.018 0.000 2.356 240 A HA 0.601 -1.282 4.320 -10.338 0.000 0.310 240 A C -0.647 176.872 177.584 -0.108 0.000 1.075 240 A CA -0.804 51.154 52.037 -0.132 0.000 0.746 240 A CB 0.293 19.229 19.000 -0.107 0.000 1.221 240 A HN 0.310 nan 8.150 nan 0.000 0.443 241 H N 0.924 119.978 119.070 -0.028 0.000 2.819 241 H HA -0.148 -1.780 4.556 -10.314 0.000 0.315 241 H C 0.501 175.769 175.328 -0.100 0.000 1.242 241 H CA 0.929 56.921 56.048 -0.094 0.000 1.157 241 H CB -2.273 27.365 29.762 -0.207 0.000 1.451 241 H HN 1.203 nan 8.280 nan 0.000 0.430 242 T N -1.279 113.282 114.554 0.011 0.000 4.039 242 T HA -0.282 -2.135 4.350 -10.338 0.000 0.352 242 T C 0.767 175.470 174.700 0.004 0.000 0.756 242 T CA 1.061 63.161 62.100 0.000 0.000 1.923 242 T CB -0.667 68.188 68.868 -0.021 0.000 1.848 242 T HN 0.427 nan 8.240 nan 0.000 0.835 243 M N 0.356 119.971 119.600 0.024 0.000 2.116 243 M HA 0.646 -1.077 4.480 -10.338 0.000 0.235 243 M C 1.210 177.540 176.300 0.050 0.000 1.193 243 M CA 0.472 55.799 55.300 0.046 0.000 0.959 243 M CB 0.561 33.209 32.600 0.081 0.000 1.313 243 M HN 0.769 nan 8.290 nan 0.000 0.530 244 G N 0.934 109.779 108.800 0.075 0.000 2.312 244 G HA2 0.234 -2.009 3.960 -10.338 0.000 0.322 244 G HA3 0.234 -2.009 3.960 -10.338 0.000 0.322 244 G C -2.238 172.710 174.900 0.079 0.000 1.645 244 G CA -0.879 44.265 45.100 0.073 0.000 0.919 244 G HN 0.706 nan 8.290 nan 0.000 0.699 245 D N -0.244 120.215 120.400 0.098 0.000 2.732 245 D HA 0.639 -0.923 4.640 -10.338 0.000 0.229 245 D C 1.593 177.933 176.300 0.067 0.000 1.152 245 D CA 0.233 54.282 54.000 0.082 0.000 0.854 245 D CB 1.787 42.659 40.800 0.119 0.000 1.590 245 D HN 0.590 nan 8.370 nan 0.000 0.468 246 S N 2.224 117.948 115.700 0.041 0.000 2.400 246 S HA -0.140 -1.873 4.470 -10.338 0.000 0.232 246 S C 0.708 175.333 174.600 0.042 0.000 1.025 246 S CA 0.900 59.119 58.200 0.032 0.000 0.993 246 S CB 0.019 63.228 63.200 0.016 0.000 0.808 246 S HN 0.543 nan 8.310 nan 0.000 0.478 247 D N 0.938 121.370 120.400 0.054 0.000 2.586 247 D HA 0.391 -1.171 4.640 -10.338 0.000 0.254 247 D C -2.444 173.923 176.300 0.112 0.000 1.248 247 D CA -2.151 51.888 54.000 0.065 0.000 0.843 247 D CB 1.409 42.233 40.800 0.041 0.000 1.332 247 D HN -0.044 nan 8.370 nan 0.000 0.523 248 P HA -0.130 nan 4.420 nan 0.000 0.215 248 P C 1.304 178.798 177.300 0.324 0.000 1.157 248 P CA 1.500 64.792 63.100 0.321 0.000 0.874 248 P CB 0.313 32.152 31.700 0.233 0.000 0.790 249 A N -0.097 122.830 122.820 0.179 0.000 1.917 249 A HA -0.189 -2.072 4.320 -10.338 0.000 0.219 249 A C 2.335 180.005 177.584 0.144 0.000 1.182 249 A CA 2.414 54.538 52.037 0.144 0.000 0.633 249 A CB -1.610 17.439 19.000 0.080 0.000 0.819 249 A HN 0.228 nan 8.150 nan 0.000 0.448 250 A N -1.392 121.495 122.820 0.113 0.000 1.897 250 A HA 0.001 -1.882 4.320 -10.338 0.000 0.215 250 A C 2.317 179.955 177.584 0.089 0.000 1.181 250 A CA 2.123 54.211 52.037 0.086 0.000 0.620 250 A CB -1.087 17.941 19.000 0.046 0.000 0.821 250 A HN 0.429 nan 8.150 nan 0.000 0.443 251 T N -0.539 114.055 114.554 0.067 0.000 2.701 251 T HA -0.062 -1.914 4.350 -10.338 0.000 0.263 251 T C 1.529 176.183 174.700 -0.077 0.000 1.040 251 T CA 1.628 63.693 62.100 -0.058 0.000 1.147 251 T CB -0.426 68.335 68.868 -0.179 0.000 0.865 251 T HN 0.395 nan 8.240 nan 0.000 0.426 252 F N 1.355 121.363 119.950 0.097 0.000 2.259 252 F HA 0.182 -1.499 4.527 -10.346 0.000 0.298 252 F C 2.622 178.485 175.800 0.104 0.000 1.088 252 F CA 0.560 58.621 58.000 0.101 0.000 1.358 252 F CB -0.875 38.179 39.000 0.090 0.000 1.040 252 F HN 0.218 nan 8.300 nan 0.000 0.505 253 G N -0.828 108.123 108.800 0.252 0.000 2.421 253 G HA2 -0.299 -2.542 3.960 -10.338 0.000 0.216 253 G HA3 -0.299 -2.542 3.960 -10.338 0.000 0.216 253 G C 1.720 176.709 174.900 0.147 0.000 1.171 253 G CA 1.092 46.296 45.100 0.173 0.000 0.775 253 G HN 0.408 nan 8.290 nan 0.000 0.543 254 H N 0.574 119.678 119.070 0.057 0.000 2.319 254 H HA -0.086 -1.734 4.556 -10.340 0.000 0.299 254 H C 2.616 177.968 175.328 0.039 0.000 1.092 254 H CA 1.836 57.904 56.048 0.033 0.000 1.302 254 H CB -0.185 29.578 29.762 0.002 0.000 1.373 254 H HN 0.173 nan 8.280 nan 0.000 0.497 255 V N 1.502 121.467 119.914 0.086 0.000 2.295 255 V HA -0.270 -2.353 4.120 -10.338 0.000 0.246 255 V C 3.145 179.260 176.094 0.035 0.000 1.049 255 V CA 1.703 64.023 62.300 0.034 0.000 1.024 255 V CB -1.284 30.574 31.823 0.058 0.000 0.648 255 V HN 0.611 nan 8.190 nan 0.000 0.447 256 A N -0.138 122.747 122.820 0.107 0.000 1.902 256 A HA -0.227 -2.110 4.320 -10.338 0.000 0.217 256 A C 2.381 180.071 177.584 0.176 0.000 1.181 256 A CA 1.832 53.967 52.037 0.163 0.000 0.623 256 A CB -0.491 18.631 19.000 0.202 0.000 0.818 256 A HN 0.516 nan 8.150 nan 0.000 0.443 257 R N -0.568 119.973 120.500 0.067 0.000 2.081 257 R HA -0.098 -1.961 4.340 -10.338 0.000 0.235 257 R C 2.045 178.338 176.300 -0.012 0.000 1.131 257 R CA 1.343 57.456 56.100 0.021 0.000 0.960 257 R CB -0.277 30.002 30.300 -0.035 0.000 0.856 257 R HN 0.503 nan 8.270 nan 0.000 0.436 258 E N 0.822 120.961 120.200 -0.102 0.000 2.106 258 E HA -0.128 -1.981 4.350 -10.338 0.000 0.192 258 E C 2.145 178.754 176.600 0.015 0.000 0.984 258 E CA 0.917 57.257 56.400 -0.099 0.000 0.806 258 E CB -0.049 29.526 29.700 -0.208 0.000 0.750 258 E HN 0.350 nan 8.360 nan 0.000 0.458 259 L N 0.013 121.289 121.223 0.087 0.000 2.109 259 L HA -0.049 -1.912 4.340 -10.338 0.000 0.207 259 L C 2.513 179.579 176.870 0.327 0.000 1.086 259 L CA 1.138 56.084 54.840 0.177 0.000 0.760 259 L CB -0.650 41.491 42.059 0.137 0.000 0.910 259 L HN 0.164 nan 8.230 nan 0.000 0.437 260 G N -0.100 108.928 108.800 0.379 0.000 2.422 260 G HA2 -0.240 -2.483 3.960 -10.338 0.000 0.218 260 G HA3 -0.240 -2.483 3.960 -10.338 0.000 0.218 260 G C 1.724 176.614 174.900 -0.017 0.000 1.146 260 G CA 0.414 45.562 45.100 0.080 0.000 0.769 260 G HN 0.268 nan 8.290 nan 0.000 0.547 261 R N -0.085 120.424 120.500 0.015 0.000 2.120 261 R HA 0.015 -1.848 4.340 -10.338 0.000 0.234 261 R C 2.553 178.856 176.300 0.006 0.000 1.123 261 R CA 1.008 57.104 56.100 -0.007 0.000 0.975 261 R CB -0.162 30.132 30.300 -0.011 0.000 0.866 261 R HN 0.263 nan 8.270 nan 0.000 0.446 262 R N -0.122 120.399 120.500 0.034 0.000 2.299 262 R HA 0.092 -1.771 4.340 -10.338 0.000 0.197 262 R C 0.733 177.061 176.300 0.047 0.000 0.971 262 R CA 0.688 56.812 56.100 0.040 0.000 1.030 262 R CB -0.008 30.323 30.300 0.051 0.000 0.932 262 R HN 0.178 nan 8.270 nan 0.000 0.477 263 R N 1.320 121.840 120.500 0.034 0.000 3.422 263 R HA -0.166 -2.028 4.340 -10.338 0.000 0.267 263 R C 0.269 176.615 176.300 0.077 0.000 1.074 263 R CA 1.369 57.474 56.100 0.008 0.000 0.718 263 R CB -3.230 27.067 30.300 -0.006 0.000 1.157 263 R HN 0.607 nan 8.270 nan 0.000 0.440 264 I N -3.593 117.077 120.570 0.166 0.000 3.194 264 I HA 0.617 -1.416 4.170 -10.338 0.000 0.283 264 I C 1.860 178.103 176.117 0.209 0.000 1.199 264 I CA 0.006 61.402 61.300 0.160 0.000 1.328 264 I CB 0.602 38.670 38.000 0.114 0.000 1.404 264 I HN 0.337 nan 8.210 nan 0.000 0.618 265 A N 3.294 126.185 122.820 0.117 0.000 1.865 265 A HA 0.050 -1.833 4.320 -10.338 0.000 0.217 265 A C 0.712 178.497 177.584 0.334 0.000 1.191 265 A CA 2.047 54.196 52.037 0.186 0.000 0.623 265 A CB -0.818 18.296 19.000 0.191 0.000 0.826 265 A HN 0.938 nan 8.150 nan 0.000 0.444 266 F N -5.356 114.715 119.950 0.202 0.000 2.741 266 F HA 0.674 -1.005 4.527 -10.344 0.000 0.311 266 F C -1.503 174.210 175.800 -0.145 0.000 1.149 266 F CA -1.765 56.317 58.000 0.136 0.000 0.930 266 F CB 0.925 39.924 39.000 -0.002 0.000 1.312 266 F HN -0.027 nan 8.300 nan 0.000 0.450 267 L N 2.754 123.927 121.223 -0.082 0.000 2.349 267 L HA 0.563 -1.300 4.340 -10.338 0.000 0.278 267 L C -1.691 175.055 176.870 -0.207 0.000 0.996 267 L CA -0.774 53.858 54.840 -0.348 0.000 0.825 267 L CB 1.376 42.963 42.059 -0.786 0.000 1.243 267 L HN 0.725 nan 8.230 nan 0.000 0.412 268 F N 4.918 124.740 119.950 -0.214 0.000 2.385 268 F HA 0.736 -0.926 4.527 -10.315 0.000 0.360 268 F C 0.025 175.492 175.800 -0.555 0.000 1.122 268 F CA -0.608 57.163 58.000 -0.381 0.000 1.090 268 F CB 1.110 39.989 39.000 -0.203 0.000 1.150 268 F HN 0.621 nan 8.300 nan 0.000 0.472 269 A N 7.228 129.810 122.820 -0.396 0.000 2.273 269 A HA 0.434 -1.449 4.320 -10.338 0.000 0.315 269 A C -0.524 176.999 177.584 -0.102 0.000 1.256 269 A CA -0.851 51.046 52.037 -0.233 0.000 0.851 269 A CB 0.688 19.535 19.000 -0.255 0.000 1.172 269 A HN 0.884 nan 8.150 nan 0.000 0.508 270 R N 2.683 123.192 120.500 0.014 0.000 2.248 270 R HA 0.330 -1.533 4.340 -10.338 0.000 0.337 270 R C -0.674 175.663 176.300 0.062 0.000 1.085 270 R CA 0.307 56.469 56.100 0.104 0.000 0.934 270 R CB 0.186 30.593 30.300 0.178 0.000 1.034 270 R HN 0.786 nan 8.270 nan 0.000 0.465 271 E N 3.763 124.014 120.200 0.085 0.000 2.558 271 E HA 0.030 -1.823 4.350 -10.338 0.000 0.345 271 E C -1.267 175.444 176.600 0.186 0.000 0.928 271 E CA -0.401 56.063 56.400 0.107 0.000 0.774 271 E CB 0.851 30.607 29.700 0.093 0.000 1.462 271 E HN 0.778 nan 8.360 nan 0.000 0.387 272 S N 3.189 118.958 115.700 0.114 0.000 2.558 272 S HA 0.112 -1.621 4.470 -10.338 0.000 0.293 272 S C 0.372 175.083 174.600 0.185 0.000 1.292 272 S CA -0.313 57.919 58.200 0.053 0.000 1.063 272 S CB 0.084 63.275 63.200 -0.015 0.000 0.831 272 S HN 0.284 nan 8.310 nan 0.000 0.499 273 F N 2.247 122.100 119.950 -0.161 0.000 2.496 273 F HA 0.605 -1.072 4.527 -10.339 0.000 0.344 273 F C 1.427 177.166 175.800 -0.101 0.000 1.155 273 F CA 0.415 58.349 58.000 -0.110 0.000 1.302 273 F CB 0.392 39.300 39.000 -0.152 0.000 1.159 273 F HN 1.144 nan 8.300 nan 0.000 0.595 274 G N 0.325 109.166 108.800 0.068 0.000 2.341 274 G HA2 0.360 -1.882 3.960 -10.338 0.000 0.293 274 G HA3 0.360 -1.882 3.960 -10.338 0.000 0.293 274 G C 0.528 175.412 174.900 -0.028 0.000 1.298 274 G CA -0.282 44.824 45.100 0.011 0.000 0.868 274 G HN 0.858 nan 8.290 nan 0.000 0.540 275 G N -0.292 108.495 108.800 -0.021 0.000 2.462 275 G HA2 0.006 -2.237 3.960 -10.338 0.000 0.220 275 G HA3 0.006 -2.237 3.960 -10.338 0.000 0.220 275 G C 1.058 175.939 174.900 -0.032 0.000 1.121 275 G CA 2.031 47.113 45.100 -0.029 0.000 0.758 275 G HN 0.970 nan 8.290 nan 0.000 0.559 276 D N 0.205 120.591 120.400 -0.024 0.000 2.369 276 D HA 0.351 -1.212 4.640 -10.338 0.000 0.211 276 D C 1.148 177.430 176.300 -0.029 0.000 1.077 276 D CA 0.127 54.115 54.000 -0.020 0.000 0.842 276 D CB -0.204 40.591 40.800 -0.008 0.000 0.947 276 D HN 0.228 nan 8.370 nan 0.000 0.509 277 A N 1.440 124.234 122.820 -0.043 0.000 2.477 277 A HA 0.378 -1.505 4.320 -10.338 0.000 0.246 277 A C 1.158 178.700 177.584 -0.070 0.000 1.078 277 A CA -0.378 51.629 52.037 -0.050 0.000 0.770 277 A CB -0.177 18.774 19.000 -0.082 0.000 1.011 277 A HN 0.433 nan 8.150 nan 0.000 0.494 278 I N 0.612 121.153 120.570 -0.048 0.000 3.974 278 I HA 0.326 -1.707 4.170 -10.338 0.000 0.334 278 I C 1.299 177.399 176.117 -0.029 0.000 1.437 278 I CA 0.331 61.606 61.300 -0.040 0.000 1.113 278 I CB 0.072 38.063 38.000 -0.015 0.000 1.063 278 I HN 0.540 nan 8.210 nan 0.000 0.400 279 G N 1.393 110.187 108.800 -0.010 0.000 2.469 279 G HA2 -0.234 -2.477 3.960 -10.338 0.000 0.219 279 G HA3 -0.234 -2.477 3.960 -10.338 0.000 0.219 279 G C 1.495 176.309 174.900 -0.143 0.000 1.150 279 G CA 0.782 45.937 45.100 0.090 0.000 0.763 279 G HN 0.366 nan 8.290 nan 0.000 0.561 280 Q N 0.212 119.892 119.800 -0.200 0.000 2.119 280 Q HA -0.053 -1.916 4.340 -10.338 0.000 0.201 280 Q C 2.718 178.599 176.000 -0.199 0.000 0.972 280 Q CA 1.141 56.793 55.803 -0.251 0.000 0.847 280 Q CB -0.474 28.140 28.738 -0.207 0.000 0.903 280 Q HN 0.668 nan 8.270 nan 0.000 0.433 281 Q N 0.001 119.728 119.800 -0.122 0.000 2.061 281 Q HA -0.096 -1.959 4.340 -10.338 0.000 0.204 281 Q C 2.219 178.186 176.000 -0.055 0.000 0.984 281 Q CA 1.017 56.780 55.803 -0.067 0.000 0.846 281 Q CB -0.135 28.591 28.738 -0.020 0.000 0.902 281 Q HN 0.330 nan 8.270 nan 0.000 0.421 282 L N 0.552 121.746 121.223 -0.047 0.000 2.093 282 L HA -0.187 -2.050 4.340 -10.338 0.000 0.208 282 L C 2.532 179.351 176.870 -0.085 0.000 1.085 282 L CA 1.205 56.064 54.840 0.030 0.000 0.755 282 L CB -0.466 41.706 42.059 0.188 0.000 0.904 282 L HN 0.220 nan 8.230 nan 0.000 0.435 283 K N 0.580 120.666 120.400 -0.523 0.000 2.025 283 K HA -0.162 -2.045 4.320 -10.338 0.000 0.207 283 K C 2.177 178.661 176.600 -0.194 0.000 1.049 283 K CA 1.366 57.249 56.287 -0.673 0.000 0.933 283 K CB -0.071 31.803 32.500 -1.044 0.000 0.714 283 K HN 0.227 nan 8.250 nan 0.000 0.438 284 A N 0.895 123.617 122.820 -0.163 0.000 1.933 284 A HA -0.085 -1.967 4.320 -10.338 0.000 0.218 284 A C 2.279 179.847 177.584 -0.027 0.000 1.175 284 A CA 1.821 53.808 52.037 -0.082 0.000 0.628 284 A CB -0.723 18.232 19.000 -0.076 0.000 0.814 284 A HN 0.490 nan 8.150 nan 0.000 0.444 285 A N -1.453 121.372 122.820 0.010 0.000 1.930 285 A HA 0.074 -1.809 4.320 -10.338 0.000 0.217 285 A C 1.988 179.643 177.584 0.119 0.000 1.175 285 A CA 1.523 53.594 52.037 0.057 0.000 0.627 285 A CB -0.557 18.490 19.000 0.078 0.000 0.815 285 A HN 0.641 nan 8.150 nan 0.000 0.443 286 F N 0.145 120.095 119.950 -0.000 0.000 2.118 286 F HA 0.276 -1.396 4.527 -10.332 0.000 0.293 286 F C 1.944 177.761 175.800 0.028 0.000 1.102 286 F CA 1.568 59.594 58.000 0.043 0.000 1.247 286 F CB -0.448 38.629 39.000 0.129 0.000 1.017 286 F HN 0.430 nan 8.300 nan 0.000 0.475 287 G N -0.274 108.421 108.800 -0.174 0.000 2.234 287 G HA2 -0.203 -2.446 3.960 -10.338 0.000 0.260 287 G HA3 -0.203 -2.446 3.960 -10.338 0.000 0.260 287 G C 0.754 175.433 174.900 -0.367 0.000 0.987 287 G CA 0.402 45.348 45.100 -0.257 0.000 0.625 287 G HN 0.931 nan 8.290 nan 0.000 0.532 288 G N -0.267 108.062 108.800 -0.785 0.000 2.753 288 G HA2 0.704 -1.539 3.960 -10.338 0.000 0.285 288 G HA3 0.704 -1.539 3.960 -10.338 0.000 0.285 288 G C -2.693 172.329 174.900 0.202 0.000 1.344 288 G CA -1.147 43.698 45.100 -0.425 0.000 1.050 288 G HN 0.131 nan 8.290 nan 0.000 0.532 289 P HA 0.076 nan 4.420 nan 0.000 0.260 289 P C -1.192 176.399 177.300 0.485 0.000 1.172 289 P CA 0.585 63.888 63.100 0.338 0.000 0.760 289 P CB 0.131 31.989 31.700 0.262 0.000 0.773 290 F N 5.240 125.277 119.950 0.145 0.000 2.460 290 F HA 0.475 -1.198 4.527 -10.333 0.000 0.341 290 F C -0.455 175.277 175.800 -0.112 0.000 1.130 290 F CA -0.859 57.181 58.000 0.065 0.000 0.962 290 F CB 0.736 39.793 39.000 0.095 0.000 1.171 290 F HN 0.116 nan 8.300 nan 0.000 0.436 291 I N 7.600 127.813 120.570 -0.595 0.000 2.312 291 I HA 0.352 -1.681 4.170 -10.338 0.000 0.290 291 I C -0.242 175.268 176.117 -1.012 0.000 1.008 291 I CA -1.021 59.827 61.300 -0.753 0.000 1.226 291 I CB 1.195 38.655 38.000 -0.899 0.000 1.371 291 I HN 0.390 nan 8.210 nan 0.000 0.468 292 V N 3.667 123.097 119.914 -0.806 0.000 2.973 292 V HA 0.646 -1.437 4.120 -10.338 0.000 0.314 292 V C -0.325 175.178 176.094 -0.986 0.000 1.066 292 V CA -0.453 61.410 62.300 -0.729 0.000 1.021 292 V CB 1.802 33.371 31.823 -0.423 0.000 1.076 292 V HN 0.962 nan 8.190 nan 0.000 0.462 293 N N 0.939 119.271 118.700 -0.613 0.000 2.815 293 N HA 0.285 -1.178 4.740 -10.338 0.000 0.253 293 N C -1.486 174.047 175.510 0.038 0.000 1.202 293 N CA 0.113 52.917 53.050 -0.410 0.000 0.925 293 N CB 2.397 40.707 38.487 -0.295 0.000 1.622 293 N HN 1.200 nan 8.380 nan 0.000 0.497 294 E N 1.937 122.205 120.200 0.113 0.000 7.512 294 E HA -0.085 -1.938 4.350 -10.338 0.000 0.210 294 E C -1.189 175.431 176.600 0.033 0.000 0.876 294 E CA -0.112 56.348 56.400 0.099 0.000 1.670 294 E CB -0.599 29.154 29.700 0.089 0.000 0.895 294 E HN 0.821 nan 8.360 nan 0.000 0.262 295 N N 1.463 120.177 118.700 0.023 0.000 2.725 295 N HA -0.214 -1.677 4.740 -10.338 0.000 0.249 295 N C -0.916 174.505 175.510 -0.149 0.000 1.103 295 N CA 1.652 54.680 53.050 -0.036 0.000 0.707 295 N CB -1.525 36.915 38.487 -0.078 0.000 1.043 295 N HN 0.314 nan 8.380 nan 0.000 0.553 296 F N 0.584 120.431 119.950 -0.171 0.000 2.384 296 F HA 0.339 -1.338 4.527 -10.340 0.000 0.338 296 F C 1.676 177.595 175.800 0.199 0.000 1.103 296 F CA -0.137 57.750 58.000 -0.189 0.000 1.157 296 F CB 1.033 39.668 39.000 -0.609 0.000 1.167 296 F HN -0.032 nan 8.300 nan 0.000 0.529 297 T N 0.819 115.558 114.554 0.308 0.000 2.948 297 T HA 0.281 -1.571 4.350 -10.338 0.000 0.285 297 T C 0.851 175.706 174.700 0.259 0.000 1.019 297 T CA -0.852 61.430 62.100 0.304 0.000 1.013 297 T CB 1.224 70.156 68.868 0.106 0.000 1.117 297 T HN 0.532 nan 8.240 nan 0.000 0.533 298 L N 0.721 121.866 121.223 -0.129 0.000 2.021 298 L HA -0.114 -1.977 4.340 -10.338 0.000 0.215 298 L C 1.935 178.714 176.870 -0.152 0.000 1.074 298 L CA 2.116 56.653 54.840 -0.505 0.000 0.760 298 L CB -1.111 40.458 42.059 -0.816 0.000 0.889 298 L HN 0.764 nan 8.230 nan 0.000 0.433 299 D N -1.241 119.116 120.400 -0.070 0.000 2.162 299 D HA -0.112 -1.675 4.640 -10.338 0.000 0.203 299 D C 2.257 178.568 176.300 0.018 0.000 0.967 299 D CA 1.470 55.456 54.000 -0.024 0.000 0.840 299 D CB 0.014 40.804 40.800 -0.016 0.000 0.972 299 D HN 0.589 nan 8.370 nan 0.000 0.482 300 S N 0.928 116.651 115.700 0.039 0.000 2.423 300 S HA 0.002 -1.731 4.470 -10.338 0.000 0.231 300 S C 2.120 176.812 174.600 0.152 0.000 1.014 300 S CA 0.910 59.135 58.200 0.042 0.000 0.965 300 S CB 0.035 63.182 63.200 -0.087 0.000 0.785 300 S HN 0.193 nan 8.310 nan 0.000 0.495 301 A N 1.202 124.144 122.820 0.204 0.000 1.898 301 A HA 0.028 -1.854 4.320 -10.338 0.000 0.214 301 A C 2.301 179.884 177.584 -0.000 0.000 1.183 301 A CA 1.491 53.580 52.037 0.086 0.000 0.622 301 A CB -0.922 18.111 19.000 0.055 0.000 0.824 301 A HN 0.519 nan 8.150 nan 0.000 0.444 302 Q N 0.115 119.917 119.800 0.004 0.000 2.084 302 Q HA -0.024 -1.887 4.340 -10.338 0.000 0.202 302 Q C 2.050 178.063 176.000 0.022 0.000 0.978 302 Q CA 2.083 57.880 55.803 -0.010 0.000 0.844 302 Q CB -0.700 28.029 28.738 -0.016 0.000 0.898 302 Q HN 0.544 nan 8.270 nan 0.000 0.426 303 A N 0.212 123.058 122.820 0.044 0.000 1.948 303 A HA -0.137 -2.019 4.320 -10.338 0.000 0.220 303 A C 2.254 179.901 177.584 0.105 0.000 1.177 303 A CA 2.050 54.126 52.037 0.066 0.000 0.636 303 A CB -1.099 17.943 19.000 0.070 0.000 0.815 303 A HN 0.505 nan 8.150 nan 0.000 0.449 304 A N -0.791 122.112 122.820 0.137 0.000 1.898 304 A HA 0.057 -1.825 4.320 -10.338 0.000 0.216 304 A C 2.002 179.653 177.584 0.112 0.000 1.181 304 A CA 1.600 53.761 52.037 0.207 0.000 0.620 304 A CB -0.513 18.606 19.000 0.198 0.000 0.819 304 A HN 0.391 nan 8.150 nan 0.000 0.442 305 L N 0.313 121.559 121.223 0.038 0.000 2.046 305 L HA -0.166 -2.029 4.340 -10.338 0.000 0.208 305 L C 1.863 178.750 176.870 0.028 0.000 1.077 305 L CA 1.996 56.845 54.840 0.015 0.000 0.747 305 L CB -0.767 41.281 42.059 -0.019 0.000 0.896 305 L HN 0.317 nan 8.230 nan 0.000 0.432 306 D N -0.601 119.818 120.400 0.032 0.000 2.178 306 D HA -0.083 -1.646 4.640 -10.338 0.000 0.202 306 D C 2.026 178.345 176.300 0.031 0.000 0.974 306 D CA 1.360 55.377 54.000 0.029 0.000 0.841 306 D CB -0.008 40.809 40.800 0.028 0.000 0.953 306 D HN 0.336 nan 8.370 nan 0.000 0.478 307 A N -0.364 122.484 122.820 0.047 0.000 2.251 307 A HA 0.421 -1.462 4.320 -10.338 0.000 0.209 307 A C 1.669 179.271 177.584 0.030 0.000 1.187 307 A CA 0.898 52.959 52.037 0.040 0.000 0.823 307 A CB -0.193 18.841 19.000 0.057 0.000 0.846 307 A HN 0.217 nan 8.150 nan 0.000 0.486 308 G N -0.808 108.012 108.800 0.034 0.000 2.160 308 G HA2 -0.304 -2.547 3.960 -10.338 0.000 0.244 308 G HA3 -0.304 -2.547 3.960 -10.338 0.000 0.244 308 G C 0.516 175.431 174.900 0.024 0.000 1.022 308 G CA 0.642 45.755 45.100 0.021 0.000 0.741 308 G HN 0.580 nan 8.290 nan 0.000 0.508 309 Q N -0.829 119.015 119.800 0.074 0.000 2.384 309 Q HA 0.587 -1.276 4.340 -10.338 0.000 0.207 309 Q C 1.061 177.187 176.000 0.211 0.000 0.904 309 Q CA 0.978 56.846 55.803 0.108 0.000 0.933 309 Q CB 0.701 29.550 28.738 0.186 0.000 1.077 309 Q HN 1.150 nan 8.270 nan 0.000 0.522 310 A N -0.382 122.540 122.820 0.169 0.000 2.612 310 A HA 0.314 -1.569 4.320 -10.338 0.000 0.293 310 A C -1.057 176.564 177.584 0.062 0.000 1.075 310 A CA -0.694 51.446 52.037 0.171 0.000 0.680 310 A CB 1.057 20.086 19.000 0.049 0.000 1.279 310 A HN 0.013 nan 8.150 nan 0.000 0.411 311 D N 0.014 120.442 120.400 0.047 0.000 2.366 311 D HA 0.408 -1.155 4.640 -10.338 0.000 0.205 311 D C 0.622 176.871 176.300 -0.085 0.000 1.022 311 D CA 1.522 55.521 54.000 -0.002 0.000 0.868 311 D CB 0.972 41.796 40.800 0.040 0.000 0.953 311 D HN 0.867 nan 8.370 nan 0.000 0.514 312 A N 0.220 122.937 122.820 -0.171 0.000 2.610 312 A HA 0.572 -1.311 4.320 -10.338 0.000 0.291 312 A C -1.476 175.853 177.584 -0.425 0.000 1.086 312 A CA -0.537 51.347 52.037 -0.255 0.000 0.677 312 A CB 1.719 20.561 19.000 -0.263 0.000 1.278 312 A HN -0.105 nan 8.150 nan 0.000 0.414 313 V N 0.297 119.938 119.914 -0.455 0.000 2.638 313 V HA 0.770 -1.312 4.120 -10.338 0.000 0.306 313 V C 0.275 175.981 176.094 -0.647 0.000 1.052 313 V CA -0.177 61.648 62.300 -0.791 0.000 0.885 313 V CB 1.559 32.765 31.823 -1.028 0.000 0.999 313 V HN 1.619 nan 8.190 nan 0.000 0.424 314 A N 4.537 126.885 122.820 -0.786 0.000 2.324 314 A HA 0.856 -1.027 4.320 -10.338 0.000 0.330 314 A C -1.077 176.311 177.584 -0.325 0.000 1.165 314 A CA -0.552 51.291 52.037 -0.323 0.000 0.813 314 A CB 1.076 19.945 19.000 -0.218 0.000 1.197 314 A HN 0.808 nan 8.150 nan 0.000 0.484 315 W N 1.529 122.915 121.300 0.143 0.000 2.736 315 W HA 0.483 -1.060 4.660 -10.339 0.000 0.335 315 W C 0.507 177.163 176.519 0.229 0.000 1.059 315 W CA -0.286 57.164 57.345 0.175 0.000 1.226 315 W CB 2.576 32.118 29.460 0.137 0.000 1.416 315 W HN 0.938 nan 8.180 nan 0.000 0.505 316 G N 1.733 110.731 108.800 0.331 0.000 2.728 316 G HA2 -0.060 -2.303 3.960 -10.338 0.000 0.223 316 G HA3 -0.060 -2.303 3.960 -10.338 0.000 0.223 316 G C 1.186 176.160 174.900 0.123 0.000 1.379 316 G CA 0.157 45.371 45.100 0.190 0.000 0.870 316 G HN 0.355 nan 8.290 nan 0.000 0.591 317 K N 0.134 120.574 120.400 0.067 0.000 2.074 317 K HA 0.013 -1.870 4.320 -10.338 0.000 0.209 317 K C 2.507 179.101 176.600 -0.011 0.000 1.048 317 K CA 0.945 57.221 56.287 -0.018 0.000 0.926 317 K CB -0.336 32.205 32.500 0.068 0.000 0.713 317 K HN 0.187 nan 8.250 nan 0.000 0.444 318 L N -0.475 120.776 121.223 0.047 0.000 2.141 318 L HA -0.147 -2.010 4.340 -10.338 0.000 0.209 318 L C 2.188 178.912 176.870 -0.243 0.000 1.094 318 L CA 1.135 55.904 54.840 -0.118 0.000 0.763 318 L CB -0.280 41.671 42.059 -0.181 0.000 0.908 318 L HN 0.136 nan 8.230 nan 0.000 0.437 319 F N -0.156 119.716 119.950 -0.130 0.000 2.325 319 F HA -0.156 -1.831 4.527 -10.336 0.000 0.299 319 F C 2.310 177.975 175.800 -0.224 0.000 1.090 319 F CA 0.711 58.603 58.000 -0.181 0.000 1.392 319 F CB -0.014 38.923 39.000 -0.104 0.000 1.053 319 F HN -0.048 nan 8.300 nan 0.000 0.521 320 I N -0.246 120.303 120.570 -0.034 0.000 2.127 320 I HA -0.368 -2.401 4.170 -10.338 0.000 0.241 320 I C 2.517 178.345 176.117 -0.481 0.000 1.075 320 I CA 1.629 62.839 61.300 -0.151 0.000 1.334 320 I CB -0.563 37.301 38.000 -0.227 0.000 1.040 320 I HN 0.091 nan 8.210 nan 0.000 0.405 321 A N -0.545 121.896 122.820 -0.632 0.000 2.132 321 A HA 0.059 -1.824 4.320 -10.338 0.000 0.213 321 A C 0.778 178.050 177.584 -0.521 0.000 1.154 321 A CA 0.536 51.920 52.037 -1.088 0.000 0.753 321 A CB -0.091 18.544 19.000 -0.609 0.000 0.826 321 A HN 0.394 nan 8.150 nan 0.000 0.469 322 N N 0.203 118.691 118.700 -0.354 0.000 2.682 322 N HA 0.210 -1.252 4.740 -10.338 0.000 0.252 322 N C -2.569 172.797 175.510 -0.240 0.000 1.081 322 N CA -1.119 51.754 53.050 -0.296 0.000 0.844 322 N CB 1.801 40.034 38.487 -0.423 0.000 1.167 322 N HN 0.061 nan 8.380 nan 0.000 0.523 323 P HA -0.086 nan 4.420 nan 0.000 0.219 323 P C 0.273 177.560 177.300 -0.022 0.000 1.150 323 P CA 1.341 64.419 63.100 -0.036 0.000 0.814 323 P CB 0.202 31.873 31.700 -0.047 0.000 0.787 324 D N -0.721 119.613 120.400 -0.111 0.000 2.722 324 D HA 0.035 -1.527 4.640 -10.338 0.000 0.239 324 D C 1.418 177.558 176.300 -0.267 0.000 1.249 324 D CA -0.661 53.268 54.000 -0.119 0.000 0.830 324 D CB -0.583 40.164 40.800 -0.088 0.000 1.025 324 D HN -0.065 nan 8.370 nan 0.000 0.486 325 L N 0.980 121.907 121.223 -0.494 0.000 2.021 325 L HA -0.095 -1.958 4.340 -10.338 0.000 0.215 325 L C -0.794 175.615 176.870 -0.767 0.000 1.074 325 L CA 2.268 56.552 54.840 -0.927 0.000 0.760 325 L CB -1.261 39.821 42.059 -1.627 0.000 0.889 325 L HN 0.055 nan 8.230 nan 0.000 0.433 326 P HA -0.207 nan 4.420 nan 0.000 0.215 326 P C 1.599 178.972 177.300 0.122 0.000 1.157 326 P CA 1.655 64.763 63.100 0.015 0.000 0.868 326 P CB -0.131 31.652 31.700 0.138 0.000 0.788 327 R N -0.193 120.300 120.500 -0.011 0.000 2.092 327 R HA -0.046 -1.909 4.340 -10.338 0.000 0.231 327 R C 2.331 178.596 176.300 -0.059 0.000 1.119 327 R CA 1.169 57.251 56.100 -0.031 0.000 0.970 327 R CB -0.203 30.068 30.300 -0.048 0.000 0.864 327 R HN 0.032 nan 8.270 nan 0.000 0.440 328 R N -0.664 119.748 120.500 -0.145 0.000 2.081 328 R HA -0.129 -1.992 4.340 -10.338 0.000 0.235 328 R C 2.070 178.361 176.300 -0.016 0.000 1.131 328 R CA 1.478 57.490 56.100 -0.147 0.000 0.960 328 R CB -0.305 29.825 30.300 -0.284 0.000 0.856 328 R HN 0.181 nan 8.270 nan 0.000 0.436 329 F N 1.558 121.457 119.950 -0.084 0.000 2.102 329 F HA -0.147 -1.823 4.527 -10.339 0.000 0.298 329 F C 2.333 178.183 175.800 0.083 0.000 1.105 329 F CA 0.994 58.991 58.000 -0.005 0.000 1.239 329 F CB -0.625 38.381 39.000 0.010 0.000 0.991 329 F HN -0.155 nan 8.300 nan 0.000 0.474 330 K N 0.401 120.946 120.400 0.241 0.000 2.034 330 K HA -0.180 -2.063 4.320 -10.338 0.000 0.214 330 K C 1.964 178.512 176.600 -0.087 0.000 1.051 330 K CA 1.431 57.615 56.287 -0.172 0.000 0.931 330 K CB -0.846 31.463 32.500 -0.319 0.000 0.715 330 K HN 0.294 nan 8.250 nan 0.000 0.446 331 L N 0.415 121.616 121.223 -0.036 0.000 2.592 331 L HA 0.023 -1.840 4.340 -10.338 0.000 0.227 331 L C 0.372 177.238 176.870 -0.006 0.000 1.127 331 L CA -0.117 54.702 54.840 -0.036 0.000 0.884 331 L CB -0.448 41.586 42.059 -0.042 0.000 1.065 331 L HN 0.285 nan 8.230 nan 0.000 0.457 332 N N 0.951 119.670 118.700 0.031 0.000 2.727 332 N HA -0.195 -1.658 4.740 -10.338 0.000 0.249 332 N C -0.086 175.437 175.510 0.021 0.000 1.048 332 N CA 0.697 53.772 53.050 0.041 0.000 0.714 332 N CB -0.558 37.942 38.487 0.022 0.000 0.959 332 N HN 0.430 nan 8.380 nan 0.000 0.544 333 A N 0.084 122.909 122.820 0.009 0.000 2.322 333 A HA 0.651 -1.232 4.320 -10.338 0.000 0.269 333 A C -1.789 175.786 177.584 -0.014 0.000 1.094 333 A CA -0.951 51.078 52.037 -0.013 0.000 0.807 333 A CB 0.249 19.229 19.000 -0.034 0.000 1.047 333 A HN 0.315 nan 8.150 nan 0.000 0.487 334 P HA 0.232 nan 4.420 nan 0.000 0.267 334 P C -0.900 176.375 177.300 -0.041 0.000 1.201 334 P CA 0.281 63.371 63.100 -0.016 0.000 0.775 334 P CB 0.274 31.968 31.700 -0.010 0.000 0.854 335 L N 2.454 123.651 121.223 -0.044 0.000 2.331 335 L HA 0.354 -1.509 4.340 -10.338 0.000 0.275 335 L C 0.703 177.542 176.870 -0.051 0.000 1.022 335 L CA -1.033 53.755 54.840 -0.086 0.000 0.812 335 L CB 0.913 42.907 42.059 -0.108 0.000 1.257 335 L HN 0.305 nan 8.230 nan 0.000 0.435 336 N N 1.529 120.194 118.700 -0.060 0.000 2.441 336 N HA 0.165 -1.297 4.740 -10.338 0.000 0.251 336 N C 0.028 175.534 175.510 -0.007 0.000 1.242 336 N CA 0.046 53.097 53.050 0.001 0.000 0.898 336 N CB 0.615 39.127 38.487 0.043 0.000 1.100 336 N HN 0.706 nan 8.380 nan 0.000 0.443 337 E N 1.371 121.605 120.200 0.057 0.000 2.227 337 E HA 0.380 -1.473 4.350 -10.338 0.000 0.282 337 E C -2.445 174.225 176.600 0.117 0.000 1.015 337 E CA -1.820 54.621 56.400 0.067 0.000 0.823 337 E CB 0.095 29.840 29.700 0.075 0.000 1.081 337 E HN 0.322 nan 8.360 nan 0.000 0.396 338 P HA 0.205 nan 4.420 nan 0.000 0.275 338 P C -0.744 176.705 177.300 0.248 0.000 1.227 338 P CA -0.559 62.659 63.100 0.197 0.000 0.781 338 P CB 0.667 32.533 31.700 0.277 0.000 0.906 339 N N 1.595 120.486 118.700 0.318 0.000 2.527 339 N HA 0.277 -1.186 4.740 -10.338 0.000 0.236 339 N C 1.008 176.305 175.510 -0.354 0.000 0.999 339 N CA -0.380 52.702 53.050 0.053 0.000 0.935 339 N CB 0.653 39.207 38.487 0.111 0.000 1.132 339 N HN 0.295 nan 8.380 nan 0.000 0.511 340 A N 3.657 126.021 122.820 -0.761 0.000 1.986 340 A HA -0.138 -2.021 4.320 -10.338 0.000 0.220 340 A C 2.047 179.197 177.584 -0.723 0.000 1.171 340 A CA 1.914 53.061 52.037 -1.483 0.000 0.640 340 A CB -0.711 17.843 19.000 -0.743 0.000 0.811 340 A HN 0.718 nan 8.150 nan 0.000 0.451 341 A N -0.521 122.111 122.820 -0.313 0.000 2.024 341 A HA -0.082 -1.965 4.320 -10.338 0.000 0.220 341 A C 2.069 179.632 177.584 -0.035 0.000 1.164 341 A CA 2.244 54.214 52.037 -0.112 0.000 0.643 341 A CB -0.893 18.072 19.000 -0.058 0.000 0.806 341 A HN 0.881 nan 8.150 nan 0.000 0.451 342 T N -5.000 109.540 114.554 -0.023 0.000 3.129 342 T HA 0.298 -1.555 4.350 -10.338 0.000 0.267 342 T C 1.025 175.841 174.700 0.194 0.000 1.018 342 T CA -0.273 61.880 62.100 0.088 0.000 0.903 342 T CB -0.325 68.599 68.868 0.094 0.000 1.067 342 T HN 0.101 nan 8.240 nan 0.000 0.549 343 F N 1.888 121.783 119.950 -0.090 0.000 2.126 343 F HA 0.061 -1.614 4.527 -10.336 0.000 0.299 343 F C 1.211 176.705 175.800 -0.510 0.000 1.096 343 F CA 0.458 58.238 58.000 -0.367 0.000 1.255 343 F CB -0.705 37.901 39.000 -0.657 0.000 0.997 343 F HN 0.345 nan 8.300 nan 0.000 0.479 344 Y N -1.543 118.901 120.300 0.241 0.000 2.557 344 Y HA 0.584 -1.073 4.550 -10.344 0.000 0.247 344 Y C 1.018 176.958 175.900 0.066 0.000 1.164 344 Y CA -0.474 57.702 58.100 0.127 0.000 1.218 344 Y CB -0.770 37.780 38.460 0.150 0.000 1.210 344 Y HN -0.111 nan 8.280 nan 0.000 0.529 345 A N 0.522 123.432 122.820 0.150 0.000 2.310 345 A HA 0.317 -1.566 4.320 -10.338 0.000 0.260 345 A C 0.232 177.818 177.584 0.004 0.000 1.112 345 A CA -0.446 51.640 52.037 0.081 0.000 0.804 345 A CB 0.310 19.346 19.000 0.061 0.000 1.081 345 A HN 0.394 nan 8.150 nan 0.000 0.499 346 Q N -0.539 119.256 119.800 -0.010 0.000 2.299 346 Q HA 0.473 -1.390 4.340 -10.338 0.000 0.246 346 Q C 0.689 176.640 176.000 -0.083 0.000 0.935 346 Q CA 0.743 56.512 55.803 -0.056 0.000 0.887 346 Q CB 1.034 29.755 28.738 -0.029 0.000 1.223 346 Q HN 1.567 nan 8.270 nan 0.000 0.439 347 G N 1.134 109.852 108.800 -0.138 0.000 2.725 347 G HA2 -0.314 -2.557 3.960 -10.338 0.000 0.220 347 G HA3 -0.314 -2.557 3.960 -10.338 0.000 0.220 347 G C 0.415 175.268 174.900 -0.080 0.000 1.357 347 G CA 0.081 45.119 45.100 -0.103 0.000 0.866 347 G HN 0.854 nan 8.290 nan 0.000 0.548 348 E N -1.153 119.052 120.200 0.010 0.000 2.347 348 E HA 0.100 -1.753 4.350 -10.338 0.000 0.196 348 E C 1.159 177.819 176.600 0.099 0.000 1.008 348 E CA 0.861 57.330 56.400 0.114 0.000 0.852 348 E CB -0.007 29.749 29.700 0.095 0.000 0.783 348 E HN 0.518 nan 8.360 nan 0.000 0.505 349 V N 2.222 122.156 119.914 0.033 0.000 2.529 349 V HA 0.187 -1.896 4.120 -10.338 0.000 0.292 349 V C 1.352 177.455 176.094 0.015 0.000 1.028 349 V CA 1.036 63.334 62.300 -0.004 0.000 1.074 349 V CB 0.419 32.231 31.823 -0.019 0.000 0.958 349 V HN 0.581 nan 8.190 nan 0.000 0.481 350 G N 3.601 112.359 108.800 -0.070 0.000 2.179 350 G HA2 -0.343 -2.586 3.960 -10.338 0.000 0.257 350 G HA3 -0.343 -2.586 3.960 -10.338 0.000 0.257 350 G C 0.165 175.241 174.900 0.292 0.000 1.010 350 G CA 1.074 46.161 45.100 -0.021 0.000 0.736 350 G HN 0.934 nan 8.290 nan 0.000 0.513 351 Y N -0.373 119.969 120.300 0.070 0.000 3.011 351 Y HA 0.238 -1.417 4.550 -10.341 0.000 0.231 351 Y C 2.410 178.446 175.900 0.227 0.000 0.983 351 Y CA 1.926 60.080 58.100 0.090 0.000 1.429 351 Y CB 0.223 38.634 38.460 -0.082 0.000 1.491 351 Y HN 0.444 nan 8.280 nan 0.000 0.444 352 T N -1.980 112.661 114.554 0.145 0.000 3.085 352 T HA 0.151 -1.702 4.350 -10.338 0.000 0.264 352 T C 0.287 175.026 174.700 0.064 0.000 1.019 352 T CA 0.366 62.514 62.100 0.079 0.000 0.910 352 T CB -0.079 68.840 68.868 0.084 0.000 1.059 352 T HN 0.424 nan 8.240 nan 0.000 0.542 353 D N -0.083 120.329 120.400 0.019 0.000 2.402 353 D HA 0.040 -1.522 4.640 -10.338 0.000 0.216 353 D C -0.560 175.677 176.300 -0.105 0.000 1.128 353 D CA -0.630 53.337 54.000 -0.054 0.000 0.833 353 D CB -0.608 40.137 40.800 -0.092 0.000 0.971 353 D HN 0.380 nan 8.370 nan 0.000 0.503 354 Y N 2.342 122.653 120.300 0.018 0.000 2.436 354 Y HA 0.304 -1.350 4.550 -10.339 0.000 0.343 354 Y C -1.765 174.126 175.900 -0.015 0.000 1.008 354 Y CA -2.091 56.012 58.100 0.005 0.000 1.241 354 Y CB 0.768 39.232 38.460 0.008 0.000 1.153 354 Y HN -0.046 nan 8.280 nan 0.000 0.521 355 P HA 0.247 nan 4.420 nan 0.000 0.280 355 P C -0.641 176.677 177.300 0.030 0.000 1.244 355 P CA -0.299 62.832 63.100 0.052 0.000 0.784 355 P CB 1.287 33.004 31.700 0.029 0.000 0.913 356 A N 3.256 126.080 122.820 0.006 0.000 2.332 356 A HA 0.198 -1.685 4.320 -10.338 0.000 0.258 356 A C 1.736 179.307 177.584 -0.023 0.000 1.087 356 A CA -0.517 51.507 52.037 -0.021 0.000 0.802 356 A CB -0.300 18.686 19.000 -0.023 0.000 1.042 356 A HN 0.621 nan 8.150 nan 0.000 0.489 357 L N 0.789 121.989 121.223 -0.038 0.000 1.990 357 L HA -0.049 -1.912 4.340 -10.338 0.000 0.213 357 L C 1.675 178.531 176.870 -0.023 0.000 1.072 357 L CA 1.986 56.806 54.840 -0.033 0.000 0.755 357 L CB -1.345 40.688 42.059 -0.043 0.000 0.889 357 L HN 1.151 nan 8.230 nan 0.000 0.432 358 E N 0.000 120.186 120.200 -0.023 0.000 2.725 358 E HA 0.000 -1.853 4.350 -10.338 0.000 0.291 358 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 358 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 358 E HN 0.000 nan 8.360 nan 0.000 0.440