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 1tzp_1_A DATA FIRST_RESID 20 DATA SEQUENCE ATPWQKITQP VPGSAQSIGS FSNGcIVGAD TLPIQSEHYQ VMRTDQRRYF DATA SEQUENCE GHPDLVMFIQ RLSSQVSNLG MGTVLIGDMG MPAGGRFNGG HASHQTGLDV DATA SEQUENCE DIFLQLPKTR WTSAQLLRPQ ALDLVSRDGK HVVSTLWKPE IFSLIKLAAQ DATA SEQUENCE DKDVTRIFVN PAIKQQLcLD AGTDRDWLRK VRPWFQHRAH MHVRLRcPAD DATA SEQUENCE SLEcEDQPLP PSGDGcGAEL QSWFEXXXXX XXXXXXXXXX PLPPScQALL DATA SEQUENCE DEHVI 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.616 177.584 0.054 0.000 1.274 20 A CA 0.000 52.067 52.037 0.049 0.000 0.836 20 A CB 0.000 19.023 19.000 0.038 0.000 0.831 21 T N 0.160 114.769 114.554 0.091 0.000 2.849 21 T HA 0.594 4.942 4.350 -0.003 0.000 0.284 21 T C -1.792 172.925 174.700 0.028 0.000 1.004 21 T CA -1.293 60.874 62.100 0.112 0.000 1.021 21 T CB 0.885 69.923 68.868 0.284 0.000 1.013 21 T HN 0.207 nan 8.240 nan 0.000 0.527 22 P HA -0.022 nan 4.420 nan 0.000 0.216 22 P C 0.755 177.883 177.300 -0.287 0.000 1.150 22 P CA 1.090 64.023 63.100 -0.278 0.000 0.837 22 P CB -0.131 31.275 31.700 -0.490 0.000 0.786 23 W N -0.071 121.221 121.300 -0.014 0.000 2.374 23 W HA -0.084 4.574 4.660 -0.003 0.000 0.288 23 W C 2.218 178.733 176.519 -0.007 0.000 1.218 23 W CA 0.786 58.119 57.345 -0.019 0.000 1.245 23 W CB -1.295 28.156 29.460 -0.016 0.000 1.126 23 W HN 0.075 nan 8.180 nan 0.000 0.545 24 Q N 0.078 119.999 119.800 0.202 0.000 2.432 24 Q HA -0.010 4.329 4.340 -0.003 0.000 0.205 24 Q C 1.713 177.748 176.000 0.059 0.000 0.945 24 Q CA 0.786 56.671 55.803 0.137 0.000 0.924 24 Q CB 0.019 28.837 28.738 0.133 0.000 1.016 24 Q HN 0.332 nan 8.270 nan 0.000 0.503 25 K N -0.049 120.359 120.400 0.013 0.000 2.370 25 K HA 0.193 4.511 4.320 -0.003 0.000 0.194 25 K C 0.561 177.133 176.600 -0.047 0.000 1.070 25 K CA -0.179 56.097 56.287 -0.018 0.000 0.998 25 K CB 0.732 33.213 32.500 -0.031 0.000 0.911 25 K HN 0.128 nan 8.250 nan 0.000 0.533 26 I N 2.699 123.224 120.570 -0.075 0.000 2.710 26 I HA -0.139 4.030 4.170 -0.003 0.000 0.286 26 I C 1.108 177.152 176.117 -0.122 0.000 1.181 26 I CA 0.692 61.927 61.300 -0.108 0.000 1.430 26 I CB 1.062 38.978 38.000 -0.139 0.000 1.367 26 I HN 0.234 nan 8.210 nan 0.000 0.577 27 T N 3.298 117.781 114.554 -0.119 0.000 3.014 27 T HA 0.246 4.594 4.350 -0.003 0.000 0.250 27 T C 0.570 175.152 174.700 -0.197 0.000 1.060 27 T CA -0.163 61.862 62.100 -0.124 0.000 1.040 27 T CB 0.286 69.131 68.868 -0.039 0.000 0.971 27 T HN 0.544 nan 8.240 nan 0.000 0.497 28 Q N 1.695 121.382 119.800 -0.189 0.000 2.375 28 Q HA 0.495 4.833 4.340 -0.003 0.000 0.271 28 Q C -2.965 172.913 176.000 -0.204 0.000 1.074 28 Q CA -2.455 53.248 55.803 -0.167 0.000 0.808 28 Q CB 2.118 30.819 28.738 -0.061 0.000 1.327 28 Q HN 0.135 nan 8.270 nan 0.000 0.441 29 P HA -0.034 nan 4.420 nan 0.000 0.267 29 P C -0.428 176.838 177.300 -0.057 0.000 1.201 29 P CA -0.088 62.941 63.100 -0.118 0.000 0.775 29 P CB 0.477 32.163 31.700 -0.024 0.000 0.854 30 V N 5.098 124.992 119.914 -0.033 0.000 2.470 30 V HA 0.112 4.231 4.120 -0.003 0.000 0.276 30 V C -1.835 174.257 176.094 -0.003 0.000 1.040 30 V CA -1.181 61.109 62.300 -0.016 0.000 1.008 30 V CB 0.113 31.938 31.823 0.004 0.000 0.990 30 V HN 0.576 nan 8.190 nan 0.000 0.477 31 P HA 0.474 nan 4.420 nan 0.000 0.268 31 P C 0.269 177.573 177.300 0.006 0.000 1.205 31 P CA 0.570 63.672 63.100 0.004 0.000 0.771 31 P CB 0.727 32.429 31.700 0.003 0.000 0.858 32 G N 0.537 109.341 108.800 0.007 0.000 2.352 32 G HA2 0.169 4.127 3.960 -0.003 0.000 0.302 32 G HA3 0.169 4.127 3.960 -0.003 0.000 0.302 32 G C -1.107 173.796 174.900 0.005 0.000 1.370 32 G CA -0.781 44.323 45.100 0.008 0.000 0.918 32 G HN 0.334 nan 8.290 nan 0.000 0.610 33 S N 0.029 115.734 115.700 0.008 0.000 2.552 33 S HA 0.475 4.943 4.470 -0.003 0.000 0.289 33 S C 1.039 175.642 174.600 0.005 0.000 1.304 33 S CA 0.402 58.606 58.200 0.007 0.000 1.063 33 S CB 1.030 64.240 63.200 0.016 0.000 0.848 33 S HN 1.812 nan 8.310 nan 0.000 0.499 34 A N 3.862 126.669 122.820 -0.022 0.000 2.524 34 A HA 0.311 4.629 4.320 -0.003 0.000 0.250 34 A C 0.423 178.046 177.584 0.065 0.000 1.078 34 A CA -0.184 51.817 52.037 -0.059 0.000 0.761 34 A CB -0.229 18.597 19.000 -0.289 0.000 1.012 34 A HN 0.785 nan 8.150 nan 0.000 0.500 35 Q N 2.221 122.077 119.800 0.093 0.000 2.275 35 Q HA 0.481 4.819 4.340 -0.003 0.000 0.258 35 Q C -1.169 174.895 176.000 0.106 0.000 0.960 35 Q CA -0.528 55.343 55.803 0.113 0.000 0.801 35 Q CB 1.187 29.957 28.738 0.054 0.000 1.302 35 Q HN 0.403 nan 8.270 nan 0.000 0.433 36 S N 3.814 119.582 115.700 0.113 0.000 2.481 36 S HA 0.427 4.896 4.470 -0.003 0.000 0.276 36 S C -0.135 174.427 174.600 -0.064 0.000 1.247 36 S CA -0.243 57.963 58.200 0.010 0.000 1.053 36 S CB 0.102 63.266 63.200 -0.059 0.000 0.925 36 S HN 0.502 nan 8.310 nan 0.000 0.491 37 I N 3.086 123.603 120.570 -0.088 0.000 2.418 37 I HA 0.612 4.780 4.170 -0.003 0.000 0.287 37 I C 0.708 176.729 176.117 -0.159 0.000 1.008 37 I CA -0.194 61.044 61.300 -0.102 0.000 1.104 37 I CB 1.263 39.225 38.000 -0.062 0.000 1.264 37 I HN 0.870 nan 8.210 nan 0.000 0.438 38 G N 4.892 113.590 108.800 -0.170 0.000 2.508 38 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.220 38 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.220 38 G C -0.411 174.319 174.900 -0.284 0.000 1.287 38 G CA -0.185 44.799 45.100 -0.194 0.000 0.916 38 G HN 0.872 nan 8.290 nan 0.000 0.574 39 S N -0.973 114.561 115.700 -0.277 0.000 2.704 39 S HA 0.756 5.225 4.470 -0.003 0.000 0.305 39 S C 0.941 175.332 174.600 -0.349 0.000 1.107 39 S CA 0.182 58.174 58.200 -0.348 0.000 0.993 39 S CB 1.599 64.711 63.200 -0.146 0.000 1.110 39 S HN 0.876 nan 8.310 nan 0.000 0.534 40 F N 0.856 120.752 119.950 -0.091 0.000 2.216 40 F HA 0.024 4.549 4.527 -0.003 0.000 0.300 40 F C 2.237 177.955 175.800 -0.137 0.000 1.085 40 F CA 0.939 58.881 58.000 -0.097 0.000 1.326 40 F CB -0.325 38.638 39.000 -0.061 0.000 1.027 40 F HN 0.488 nan 8.300 nan 0.000 0.497 41 S N -0.967 114.738 115.700 0.009 0.000 2.575 41 S HA 0.140 4.608 4.470 -0.003 0.000 0.237 41 S C -0.071 174.450 174.600 -0.131 0.000 0.975 41 S CA -0.152 57.990 58.200 -0.096 0.000 0.960 41 S CB -0.327 62.816 63.200 -0.095 0.000 0.822 41 S HN 0.285 nan 8.310 nan 0.000 0.472 42 N N 0.829 119.437 118.700 -0.154 0.000 3.151 42 N HA 0.437 5.175 4.740 -0.003 0.000 0.219 42 N C -0.452 174.926 175.510 -0.221 0.000 1.434 42 N CA 0.151 53.091 53.050 -0.182 0.000 0.767 42 N CB 0.553 38.960 38.487 -0.134 0.000 1.564 42 N HN 0.264 nan 8.380 nan 0.000 0.612 43 G N 0.173 108.800 108.800 -0.288 0.000 2.427 43 G HA2 0.582 4.540 3.960 -0.003 0.000 0.306 43 G HA3 0.582 4.540 3.960 -0.003 0.000 0.306 43 G C -1.136 173.526 174.900 -0.396 0.000 1.280 43 G CA 0.032 44.951 45.100 -0.302 0.000 0.837 43 G HN 1.163 nan 8.290 nan 0.000 0.482 44 c N -1.671 116.751 118.600 -0.297 0.000 3.293 44 c HA 0.897 5.465 4.570 -0.003 0.000 0.362 44 c C -1.175 172.866 174.090 -0.082 0.000 1.539 44 c CA -0.994 55.183 56.329 -0.252 0.000 1.201 44 c CB 1.004 43.313 42.510 -0.335 0.000 1.770 44 c HN 1.444 nan 8.230 nan 0.000 0.440 45 I N 1.063 121.642 120.570 0.014 0.000 2.644 45 I HA 0.672 4.840 4.170 -0.003 0.000 0.291 45 I C -1.289 174.875 176.117 0.077 0.000 1.180 45 I CA -0.506 60.825 61.300 0.051 0.000 1.040 45 I CB 1.931 39.974 38.000 0.072 0.000 1.255 45 I HN 0.741 nan 8.210 nan 0.000 0.422 46 V N 6.623 126.575 119.914 0.064 0.000 2.539 46 V HA 0.605 4.723 4.120 -0.003 0.000 0.292 46 V C 0.985 177.097 176.094 0.030 0.000 1.045 46 V CA 0.622 62.952 62.300 0.051 0.000 0.945 46 V CB 1.194 33.043 31.823 0.044 0.000 0.993 46 V HN 1.085 nan 8.190 nan 0.000 0.464 47 G N 3.691 112.502 108.800 0.018 0.000 2.198 47 G HA2 -0.078 3.880 3.960 -0.003 0.000 0.257 47 G HA3 -0.078 3.880 3.960 -0.003 0.000 0.257 47 G C 0.366 175.261 174.900 -0.009 0.000 1.042 47 G CA 0.086 45.187 45.100 0.001 0.000 0.791 47 G HN 1.508 nan 8.290 nan 0.000 0.502 48 A N -0.404 122.432 122.820 0.026 0.000 2.498 48 A HA 0.496 4.814 4.320 -0.003 0.000 0.239 48 A C 0.621 178.264 177.584 0.098 0.000 1.068 48 A CA 0.759 52.834 52.037 0.063 0.000 0.766 48 A CB 0.408 19.480 19.000 0.121 0.000 1.003 48 A HN 0.505 nan 8.150 nan 0.000 0.497 49 D N 0.084 120.538 120.400 0.091 0.000 2.348 49 D HA 0.516 5.154 4.640 -0.003 0.000 0.249 49 D C -0.239 176.177 176.300 0.194 0.000 1.110 49 D CA 0.348 54.415 54.000 0.113 0.000 0.967 49 D CB 0.917 41.750 40.800 0.055 0.000 1.139 49 D HN 0.401 nan 8.370 nan 0.000 0.466 50 T N 1.904 116.552 114.554 0.156 0.000 2.797 50 T HA 0.329 4.678 4.350 -0.003 0.000 0.279 50 T C -0.324 174.406 174.700 0.051 0.000 0.991 50 T CA -0.633 61.511 62.100 0.075 0.000 0.979 50 T CB 0.967 69.916 68.868 0.135 0.000 0.943 50 T HN 0.236 nan 8.240 nan 0.000 0.444 51 L N 6.090 127.331 121.223 0.030 0.000 2.410 51 L HA 0.353 4.692 4.340 -0.003 0.000 0.273 51 L C -2.313 174.578 176.870 0.035 0.000 1.144 51 L CA -1.547 53.315 54.840 0.035 0.000 0.863 51 L CB -0.003 42.054 42.059 -0.003 0.000 1.140 51 L HN 0.356 nan 8.230 nan 0.000 0.463 52 P HA 0.024 nan 4.420 nan 0.000 0.264 52 P C 0.609 177.933 177.300 0.041 0.000 1.193 52 P CA -0.170 62.958 63.100 0.045 0.000 0.763 52 P CB 0.490 32.225 31.700 0.058 0.000 0.810 53 I N 1.297 121.816 120.570 -0.086 0.000 2.439 53 I HA -0.095 4.073 4.170 -0.003 0.000 0.251 53 I C 1.021 177.058 176.117 -0.132 0.000 1.139 53 I CA 1.382 62.606 61.300 -0.126 0.000 1.438 53 I CB -1.031 36.841 38.000 -0.214 0.000 1.085 53 I HN 0.444 nan 8.210 nan 0.000 0.427 54 Q N 0.808 120.518 119.800 -0.151 0.000 2.296 54 Q HA 0.433 4.772 4.340 -0.003 0.000 0.257 54 Q C -0.136 175.678 176.000 -0.310 0.000 0.942 54 Q CA -0.027 55.654 55.803 -0.202 0.000 0.939 54 Q CB 1.929 30.582 28.738 -0.141 0.000 1.198 54 Q HN 0.130 nan 8.270 nan 0.000 0.429 55 S N 1.223 116.646 115.700 -0.461 0.000 2.547 55 S HA 0.177 4.645 4.470 -0.003 0.000 0.270 55 S C -0.084 174.211 174.600 -0.509 0.000 1.150 55 S CA -0.598 57.235 58.200 -0.612 0.000 0.850 55 S CB 1.394 63.814 63.200 -1.300 0.000 1.118 55 S HN 0.592 nan 8.310 nan 0.000 0.461 56 E N 1.455 121.335 120.200 -0.534 0.000 2.427 56 E HA 0.042 4.391 4.350 -0.003 0.000 0.196 56 E C 0.585 176.998 176.600 -0.311 0.000 1.028 56 E CA 0.938 57.078 56.400 -0.434 0.000 0.864 56 E CB -0.092 29.331 29.700 -0.463 0.000 0.813 56 E HN 0.769 nan 8.360 nan 0.000 0.514 57 H N -1.974 116.965 119.070 -0.217 0.000 2.885 57 H HA 0.107 4.659 4.556 -0.006 0.000 0.260 57 H C -0.090 175.204 175.328 -0.056 0.000 0.985 57 H CA -0.174 55.808 56.048 -0.110 0.000 1.210 57 H CB 0.658 30.400 29.762 -0.034 0.000 1.466 57 H HN 0.065 nan 8.280 nan 0.000 0.493 58 Y N -0.788 119.508 120.300 -0.006 0.000 2.625 58 Y HA 0.611 5.163 4.550 0.003 0.000 0.338 58 Y C -1.571 174.275 175.900 -0.090 0.000 1.123 58 Y CA -1.488 56.576 58.100 -0.060 0.000 1.046 58 Y CB 1.370 39.796 38.460 -0.057 0.000 1.299 58 Y HN -0.174 nan 8.280 nan 0.000 0.464 59 Q N 0.716 120.581 119.800 0.108 0.000 2.484 59 Q HA 0.779 5.117 4.340 -0.003 0.000 0.285 59 Q C -1.741 174.317 176.000 0.097 0.000 1.097 59 Q CA -1.542 54.285 55.803 0.040 0.000 0.802 59 Q CB 3.511 32.219 28.738 -0.050 0.000 1.444 59 Q HN 0.613 nan 8.270 nan 0.000 0.429 60 V N 1.843 121.782 119.914 0.041 0.000 2.378 60 V HA 0.400 4.518 4.120 -0.003 0.000 0.288 60 V C -0.331 175.743 176.094 -0.034 0.000 1.016 60 V CA -0.539 61.761 62.300 0.001 0.000 0.840 60 V CB 1.203 33.005 31.823 -0.035 0.000 0.994 60 V HN 0.731 nan 8.190 nan 0.000 0.431 61 M N 3.848 123.413 119.600 -0.058 0.000 2.250 61 M HA 0.491 4.969 4.480 -0.003 0.000 0.344 61 M C 0.691 176.966 176.300 -0.043 0.000 1.150 61 M CA -0.250 55.009 55.300 -0.067 0.000 1.147 61 M CB 0.457 32.947 32.600 -0.184 0.000 1.498 61 M HN 0.563 nan 8.290 nan 0.000 0.461 62 R N -0.049 120.434 120.500 -0.028 0.000 3.251 62 R HA -0.161 4.177 4.340 -0.003 0.000 0.249 62 R C 0.729 177.051 176.300 0.036 0.000 0.949 62 R CA 0.721 56.813 56.100 -0.012 0.000 0.645 62 R CB -2.318 27.955 30.300 -0.045 0.000 1.065 62 R HN 0.992 nan 8.270 nan 0.000 0.452 63 T N -2.678 111.905 114.554 0.047 0.000 3.072 63 T HA -0.132 4.216 4.350 -0.003 0.000 0.266 63 T C 1.506 176.321 174.700 0.191 0.000 1.127 63 T CA 0.988 63.169 62.100 0.136 0.000 1.107 63 T CB -0.078 68.762 68.868 -0.048 0.000 0.910 63 T HN 0.518 nan 8.240 nan 0.000 0.513 64 D N 1.830 122.288 120.400 0.096 0.000 2.221 64 D HA -0.238 4.400 4.640 -0.003 0.000 0.204 64 D C 1.808 178.158 176.300 0.084 0.000 0.982 64 D CA 1.025 55.076 54.000 0.084 0.000 0.857 64 D CB -0.427 40.398 40.800 0.041 0.000 0.934 64 D HN 0.509 nan 8.370 nan 0.000 0.475 65 Q N -0.134 119.706 119.800 0.067 0.000 2.378 65 Q HA 0.066 4.405 4.340 -0.003 0.000 0.205 65 Q C 0.091 176.122 176.000 0.053 0.000 0.954 65 Q CA 0.067 55.884 55.803 0.022 0.000 0.901 65 Q CB -0.003 28.704 28.738 -0.051 0.000 0.981 65 Q HN 0.259 nan 8.270 nan 0.000 0.483 66 R N 0.309 120.885 120.500 0.126 0.000 3.267 66 R HA -0.184 4.154 4.340 -0.003 0.000 0.254 66 R C -0.543 175.785 176.300 0.046 0.000 0.993 66 R CA 0.406 56.541 56.100 0.059 0.000 0.670 66 R CB -1.595 28.773 30.300 0.112 0.000 1.125 66 R HN 0.231 nan 8.270 nan 0.000 0.434 67 R N 0.942 121.449 120.500 0.012 0.000 2.727 67 R HA 0.097 4.436 4.340 -0.003 0.000 0.410 67 R C -0.385 175.966 176.300 0.084 0.000 1.101 67 R CA -0.166 55.992 56.100 0.097 0.000 1.045 67 R CB 0.399 30.700 30.300 0.003 0.000 1.380 67 R HN 0.421 nan 8.270 nan 0.000 0.587 68 Y N -1.711 118.563 120.300 -0.044 0.000 2.774 68 Y HA 0.488 5.038 4.550 0.000 0.000 0.305 68 Y C -0.602 175.034 175.900 -0.442 0.000 1.067 68 Y CA -1.371 56.587 58.100 -0.236 0.000 1.304 68 Y CB -0.225 38.060 38.460 -0.292 0.000 1.209 68 Y HN -0.202 nan 8.280 nan 0.000 0.543 69 F N 0.664 120.616 119.950 0.003 0.000 2.538 69 F HA 0.908 5.434 4.527 -0.000 0.000 0.325 69 F C 0.706 176.559 175.800 0.089 0.000 1.066 69 F CA -0.808 57.211 58.000 0.032 0.000 0.946 69 F CB 2.214 41.191 39.000 -0.039 0.000 1.199 69 F HN 0.252 nan 8.300 nan 0.000 0.473 70 G N -0.246 108.710 108.800 0.261 0.000 2.430 70 G HA2 0.157 4.115 3.960 -0.003 0.000 0.300 70 G HA3 0.157 4.115 3.960 -0.003 0.000 0.300 70 G C -1.978 173.030 174.900 0.180 0.000 1.330 70 G CA -0.892 44.336 45.100 0.212 0.000 0.813 70 G HN 0.714 nan 8.290 nan 0.000 0.487 71 H N 0.794 119.926 119.070 0.104 0.000 2.871 71 H HA 0.135 4.689 4.556 -0.003 0.000 0.355 71 H C -1.306 174.075 175.328 0.087 0.000 1.092 71 H CA -0.421 55.676 56.048 0.082 0.000 1.420 71 H CB 1.834 31.633 29.762 0.061 0.000 1.400 71 H HN 0.036 nan 8.280 nan 0.000 0.604 72 P HA -0.179 nan 4.420 nan 0.000 0.217 72 P C 0.879 178.302 177.300 0.205 0.000 1.151 72 P CA 1.531 64.632 63.100 0.003 0.000 0.849 72 P CB 0.310 31.946 31.700 -0.107 0.000 0.787 73 D N -1.372 119.311 120.400 0.472 0.000 2.144 73 D HA -0.126 4.512 4.640 -0.003 0.000 0.199 73 D C 1.810 178.252 176.300 0.237 0.000 0.984 73 D CA 0.796 54.973 54.000 0.296 0.000 0.834 73 D CB -0.798 40.114 40.800 0.188 0.000 0.955 73 D HN 0.081 nan 8.370 nan 0.000 0.465 74 L N 0.183 121.551 121.223 0.242 0.000 2.072 74 L HA -0.091 4.248 4.340 -0.003 0.000 0.205 74 L C 2.152 179.148 176.870 0.211 0.000 1.079 74 L CA 1.130 56.106 54.840 0.226 0.000 0.752 74 L CB -0.325 41.851 42.059 0.195 0.000 0.906 74 L HN -0.122 nan 8.230 nan 0.000 0.436 75 V N -0.385 119.619 119.914 0.149 0.000 2.295 75 V HA -0.349 3.769 4.120 -0.003 0.000 0.246 75 V C 2.574 178.714 176.094 0.077 0.000 1.049 75 V CA 2.307 64.657 62.300 0.084 0.000 1.024 75 V CB -0.526 31.342 31.823 0.075 0.000 0.648 75 V HN 0.439 nan 8.190 nan 0.000 0.447 76 M N -1.145 118.524 119.600 0.114 0.000 2.117 76 M HA -0.185 4.294 4.480 -0.003 0.000 0.262 76 M C 2.181 178.539 176.300 0.097 0.000 1.065 76 M CA 2.140 57.500 55.300 0.100 0.000 1.114 76 M CB -0.559 32.109 32.600 0.113 0.000 1.361 76 M HN 0.456 nan 8.290 nan 0.000 0.408 77 F N 1.522 121.486 119.950 0.023 0.000 2.095 77 F HA -0.211 4.317 4.527 0.001 0.000 0.298 77 F C 1.932 177.721 175.800 -0.018 0.000 1.104 77 F CA 1.625 59.628 58.000 0.005 0.000 1.232 77 F CB -0.381 38.624 39.000 0.009 0.000 0.987 77 F HN -0.028 nan 8.300 nan 0.000 0.475 78 I N 0.301 120.716 120.570 -0.258 0.000 2.208 78 I HA -0.340 3.828 4.170 -0.003 0.000 0.245 78 I C 2.431 178.358 176.117 -0.318 0.000 1.097 78 I CA 1.667 62.724 61.300 -0.406 0.000 1.363 78 I CB -0.655 37.158 38.000 -0.312 0.000 1.051 78 I HN 0.283 nan 8.210 nan 0.000 0.413 79 Q N 0.035 119.752 119.800 -0.139 0.000 2.079 79 Q HA -0.220 4.118 4.340 -0.003 0.000 0.200 79 Q C 2.348 178.336 176.000 -0.020 0.000 0.974 79 Q CA 1.354 57.177 55.803 0.033 0.000 0.840 79 Q CB -0.197 28.595 28.738 0.090 0.000 0.898 79 Q HN 0.395 nan 8.270 nan 0.000 0.430 80 R N 0.533 120.973 120.500 -0.101 0.000 2.070 80 R HA -0.170 4.168 4.340 -0.003 0.000 0.233 80 R C 2.256 178.436 176.300 -0.201 0.000 1.137 80 R CA 1.131 57.162 56.100 -0.115 0.000 0.945 80 R CB -0.301 29.953 30.300 -0.076 0.000 0.845 80 R HN 0.225 nan 8.270 nan 0.000 0.430 81 L N 0.594 121.590 121.223 -0.377 0.000 2.012 81 L HA -0.132 4.207 4.340 -0.003 0.000 0.210 81 L C 2.004 178.729 176.870 -0.241 0.000 1.073 81 L CA 2.044 56.655 54.840 -0.381 0.000 0.748 81 L CB -0.489 41.161 42.059 -0.681 0.000 0.891 81 L HN 0.121 nan 8.230 nan 0.000 0.431 82 S N -1.245 114.344 115.700 -0.185 0.000 2.383 82 S HA -0.176 4.292 4.470 -0.003 0.000 0.227 82 S C 2.091 176.575 174.600 -0.193 0.000 1.026 82 S CA 1.266 59.425 58.200 -0.070 0.000 0.981 82 S CB -0.448 62.847 63.200 0.159 0.000 0.818 82 S HN 0.646 nan 8.310 nan 0.000 0.472 83 S N 1.313 116.865 115.700 -0.248 0.000 2.368 83 S HA -0.164 4.305 4.470 -0.003 0.000 0.225 83 S C 1.976 176.364 174.600 -0.353 0.000 1.030 83 S CA 1.190 59.078 58.200 -0.521 0.000 0.999 83 S CB -0.308 62.749 63.200 -0.239 0.000 0.844 83 S HN 0.528 nan 8.310 nan 0.000 0.459 84 Q N -0.008 119.659 119.800 -0.221 0.000 2.084 84 Q HA -0.068 4.270 4.340 -0.003 0.000 0.202 84 Q C 2.311 178.215 176.000 -0.160 0.000 0.978 84 Q CA 1.730 57.433 55.803 -0.166 0.000 0.844 84 Q CB -0.298 28.356 28.738 -0.140 0.000 0.898 84 Q HN 0.460 nan 8.270 nan 0.000 0.426 85 V N 0.302 120.117 119.914 -0.165 0.000 2.295 85 V HA -0.280 3.839 4.120 -0.003 0.000 0.246 85 V C 2.340 178.357 176.094 -0.129 0.000 1.049 85 V CA 1.987 64.208 62.300 -0.132 0.000 1.024 85 V CB -0.674 31.081 31.823 -0.113 0.000 0.648 85 V HN 0.363 nan 8.190 nan 0.000 0.447 86 S N 0.378 115.969 115.700 -0.183 0.000 2.368 86 S HA -0.216 4.253 4.470 -0.003 0.000 0.225 86 S C 1.843 176.366 174.600 -0.127 0.000 1.030 86 S CA 1.855 59.961 58.200 -0.157 0.000 0.999 86 S CB -0.468 62.575 63.200 -0.262 0.000 0.844 86 S HN 0.647 nan 8.310 nan 0.000 0.459 87 N N 1.144 119.750 118.700 -0.157 0.000 2.459 87 N HA 0.101 4.839 4.740 -0.003 0.000 0.181 87 N C 1.186 176.652 175.510 -0.073 0.000 1.046 87 N CA 0.510 53.498 53.050 -0.102 0.000 0.904 87 N CB -0.336 38.088 38.487 -0.105 0.000 0.964 87 N HN 0.448 nan 8.380 nan 0.000 0.444 88 L N -0.565 120.612 121.223 -0.077 0.000 2.627 88 L HA 0.165 4.503 4.340 -0.003 0.000 0.233 88 L C 1.042 177.884 176.870 -0.046 0.000 1.144 88 L CA 0.092 54.898 54.840 -0.057 0.000 0.892 88 L CB -0.379 41.644 42.059 -0.060 0.000 1.039 88 L HN 0.157 nan 8.230 nan 0.000 0.442 89 G N 0.083 108.855 108.800 -0.047 0.000 2.143 89 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.248 89 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.248 89 G C 0.251 175.131 174.900 -0.033 0.000 0.991 89 G CA 0.199 45.278 45.100 -0.034 0.000 0.689 89 G HN 0.279 nan 8.290 nan 0.000 0.522 90 M N -0.051 119.523 119.600 -0.044 0.000 2.369 90 M HA 0.573 5.052 4.480 -0.003 0.000 0.291 90 M C 1.526 177.802 176.300 -0.039 0.000 1.178 90 M CA 0.026 55.300 55.300 -0.044 0.000 0.996 90 M CB 0.578 33.144 32.600 -0.056 0.000 1.472 90 M HN 0.180 nan 8.290 nan 0.000 0.496 91 G N -0.068 108.708 108.800 -0.040 0.000 2.489 91 G HA2 0.286 4.245 3.960 -0.003 0.000 0.271 91 G HA3 0.286 4.245 3.960 -0.003 0.000 0.271 91 G C -0.720 174.150 174.900 -0.049 0.000 1.427 91 G CA -0.523 44.553 45.100 -0.039 0.000 1.057 91 G HN 0.611 nan 8.290 nan 0.000 0.532 92 T N 0.266 114.778 114.554 -0.070 0.000 2.832 92 T HA 0.346 4.695 4.350 -0.003 0.000 0.296 92 T C 0.378 175.020 174.700 -0.096 0.000 0.968 92 T CA -0.256 61.797 62.100 -0.078 0.000 1.107 92 T CB 1.263 70.058 68.868 -0.122 0.000 0.916 92 T HN 0.255 nan 8.240 nan 0.000 0.517 93 V N 5.374 125.269 119.914 -0.032 0.000 2.614 93 V HA 0.257 4.376 4.120 -0.003 0.000 0.291 93 V C 0.231 176.300 176.094 -0.042 0.000 1.049 93 V CA -0.365 61.919 62.300 -0.026 0.000 1.038 93 V CB 0.638 32.468 31.823 0.012 0.000 0.980 93 V HN 0.672 nan 8.190 nan 0.000 0.481 94 L N 5.898 127.069 121.223 -0.087 0.000 2.298 94 L HA 0.507 4.845 4.340 -0.003 0.000 0.284 94 L C -0.649 176.173 176.870 -0.080 0.000 1.013 94 L CA -0.460 54.289 54.840 -0.151 0.000 0.824 94 L CB 1.460 43.329 42.059 -0.316 0.000 1.221 94 L HN 0.408 nan 8.230 nan 0.000 0.418 95 I N 2.771 123.298 120.570 -0.073 0.000 2.315 95 I HA 0.366 4.534 4.170 -0.003 0.000 0.291 95 I C 0.916 176.995 176.117 -0.064 0.000 1.006 95 I CA 0.076 61.343 61.300 -0.054 0.000 1.265 95 I CB 1.068 39.008 38.000 -0.101 0.000 1.387 95 I HN 0.620 nan 8.210 nan 0.000 0.475 96 G N 5.492 114.274 108.800 -0.030 0.000 3.022 96 G HA2 0.157 4.115 3.960 -0.003 0.000 0.157 96 G HA3 0.157 4.115 3.960 -0.003 0.000 0.157 96 G C -0.466 174.445 174.900 0.019 0.000 1.468 96 G CA -0.289 44.782 45.100 -0.048 0.000 1.058 96 G HN 0.484 nan 8.290 nan 0.000 0.581 97 D N 0.655 121.060 120.400 0.009 0.000 2.417 97 D HA 0.290 4.929 4.640 -0.003 0.000 0.250 97 D C 0.936 177.384 176.300 0.247 0.000 1.166 97 D CA 0.317 54.341 54.000 0.040 0.000 0.881 97 D CB 1.541 42.253 40.800 -0.146 0.000 1.164 97 D HN 0.146 nan 8.370 nan 0.000 0.467 98 M N 0.930 120.696 119.600 0.277 0.000 1.986 98 M HA 0.368 4.846 4.480 -0.003 0.000 0.159 98 M C 1.159 177.757 176.300 0.496 0.000 1.430 98 M CA 0.187 55.696 55.300 0.348 0.000 1.199 98 M CB 0.067 32.800 32.600 0.223 0.000 0.818 98 M HN 0.382 nan 8.290 nan 0.000 0.450 99 G N -0.554 108.483 108.800 0.395 0.000 2.727 99 G HA2 0.634 4.592 3.960 -0.003 0.000 0.289 99 G HA3 0.634 4.592 3.960 -0.003 0.000 0.289 99 G C -1.230 173.909 174.900 0.397 0.000 1.418 99 G CA -0.875 44.486 45.100 0.435 0.000 0.818 99 G HN 0.235 nan 8.290 nan 0.000 0.486 100 M N 0.459 120.268 119.600 0.348 0.000 2.202 100 M HA 0.198 4.676 4.480 -0.003 0.000 0.316 100 M C -1.439 174.866 176.300 0.009 0.000 1.138 100 M CA -1.307 54.111 55.300 0.196 0.000 1.151 100 M CB 1.368 34.088 32.600 0.200 0.000 1.422 100 M HN 0.214 nan 8.290 nan 0.000 0.471 101 P HA -0.151 nan 4.420 nan 0.000 0.216 101 P C 0.176 177.370 177.300 -0.177 0.000 1.150 101 P CA 1.482 64.193 63.100 -0.649 0.000 0.843 101 P CB 0.137 31.327 31.700 -0.851 0.000 0.787 102 A N -2.111 120.703 122.820 -0.010 0.000 2.594 102 A HA 0.607 4.926 4.320 -0.003 0.000 0.287 102 A C 1.032 178.729 177.584 0.189 0.000 1.227 102 A CA 0.294 52.413 52.037 0.138 0.000 0.952 102 A CB -0.546 18.594 19.000 0.233 0.000 1.161 102 A HN 0.284 nan 8.150 nan 0.000 0.524 103 G N -0.482 108.384 108.800 0.110 0.000 2.562 103 G HA2 0.371 4.329 3.960 -0.003 0.000 0.250 103 G HA3 0.371 4.329 3.960 -0.003 0.000 0.250 103 G C 1.111 175.985 174.900 -0.045 0.000 1.269 103 G CA 0.238 45.351 45.100 0.022 0.000 0.919 103 G HN 2.593 nan 8.290 nan 0.000 0.574 104 G N -1.386 107.251 108.800 -0.272 0.000 2.757 104 G HA2 0.239 4.197 3.960 -0.003 0.000 0.638 104 G HA3 0.239 4.197 3.960 -0.003 0.000 0.638 104 G C 0.048 174.776 174.900 -0.287 0.000 1.344 104 G CA 0.818 45.659 45.100 -0.432 0.000 0.855 104 G HN 1.554 nan 8.290 nan 0.000 0.537 105 R N -0.381 119.963 120.500 -0.260 0.000 2.389 105 R HA 0.465 4.803 4.340 -0.003 0.000 0.295 105 R C 0.285 176.582 176.300 -0.005 0.000 1.075 105 R CA -0.575 55.409 56.100 -0.195 0.000 1.005 105 R CB -0.025 30.194 30.300 -0.134 0.000 0.987 105 R HN 0.309 nan 8.270 nan 0.000 0.452 106 F N 2.134 122.082 119.950 -0.002 0.000 2.545 106 F HA 0.005 4.530 4.527 -0.003 0.000 0.348 106 F C 1.053 176.865 175.800 0.020 0.000 1.163 106 F CA -0.270 57.738 58.000 0.012 0.000 1.331 106 F CB 0.173 39.169 39.000 -0.006 0.000 1.138 106 F HN 0.516 nan 8.300 nan 0.000 0.602 107 N N 1.126 119.961 118.700 0.225 0.000 2.558 107 N HA 0.479 5.217 4.740 -0.003 0.000 0.233 107 N C -0.466 175.100 175.510 0.094 0.000 1.038 107 N CA 0.218 53.345 53.050 0.129 0.000 0.934 107 N CB 0.197 38.739 38.487 0.091 0.000 1.175 107 N HN 0.842 nan 8.380 nan 0.000 0.512 108 G N 1.583 110.446 108.800 0.105 0.000 2.421 108 G HA2 0.459 4.418 3.960 -0.003 0.000 0.360 108 G HA3 0.459 4.418 3.960 -0.003 0.000 0.360 108 G C 0.263 175.225 174.900 0.103 0.000 1.219 108 G CA -0.275 44.867 45.100 0.070 0.000 1.257 108 G HN 1.035 nan 8.290 nan 0.000 0.609 109 G N 1.459 110.336 108.800 0.128 0.000 2.715 109 G HA2 0.009 3.968 3.960 -0.003 0.000 0.221 109 G HA3 0.009 3.968 3.960 -0.003 0.000 0.221 109 G C 0.274 175.316 174.900 0.237 0.000 1.204 109 G CA 0.421 45.620 45.100 0.165 0.000 1.063 109 G HN 1.660 nan 8.290 nan 0.000 0.586 110 H N 1.419 120.594 119.070 0.175 0.000 2.757 110 H HA 0.457 5.012 4.556 -0.003 0.000 0.370 110 H C 1.376 176.778 175.328 0.124 0.000 1.172 110 H CA 0.466 56.615 56.048 0.168 0.000 1.426 110 H CB 1.253 31.134 29.762 0.199 0.000 1.438 110 H HN 0.873 nan 8.280 nan 0.000 0.612 111 A N 3.212 125.760 122.820 -0.454 0.000 2.348 111 A HA 0.088 4.406 4.320 -0.003 0.000 0.224 111 A C 1.070 178.360 177.584 -0.491 0.000 1.227 111 A CA 0.315 52.126 52.037 -0.378 0.000 0.885 111 A CB -0.113 18.753 19.000 -0.222 0.000 0.933 111 A HN 0.665 nan 8.150 nan 0.000 0.506 112 S N -1.284 113.985 115.700 -0.718 0.000 2.495 112 S HA 0.347 4.816 4.470 -0.003 0.000 0.273 112 S C 0.580 175.149 174.600 -0.052 0.000 1.156 112 S CA 0.397 58.473 58.200 -0.206 0.000 1.032 112 S CB -0.115 63.123 63.200 0.062 0.000 1.160 112 S HN 0.570 nan 8.310 nan 0.000 0.489 113 H N -0.265 118.754 119.070 -0.086 0.000 2.936 113 H HA -0.120 4.434 4.556 -0.003 0.000 0.276 113 H C 0.617 175.793 175.328 -0.254 0.000 1.216 113 H CA 0.970 56.935 56.048 -0.138 0.000 1.132 113 H CB -1.866 27.765 29.762 -0.219 0.000 1.303 113 H HN 0.667 nan 8.280 nan 0.000 0.370 114 Q N -0.159 119.566 119.800 -0.125 0.000 2.402 114 Q HA 0.014 4.353 4.340 -0.003 0.000 0.206 114 Q C 1.753 177.667 176.000 -0.144 0.000 0.919 114 Q CA 1.464 57.148 55.803 -0.198 0.000 0.923 114 Q CB 0.573 29.160 28.738 -0.251 0.000 1.048 114 Q HN 0.546 nan 8.270 nan 0.000 0.515 115 T N -4.038 110.460 114.554 -0.093 0.000 3.132 115 T HA 0.385 4.733 4.350 -0.003 0.000 0.274 115 T C 1.051 175.758 174.700 0.011 0.000 1.011 115 T CA 0.237 62.282 62.100 -0.093 0.000 0.899 115 T CB 0.876 69.608 68.868 -0.227 0.000 1.089 115 T HN 0.296 nan 8.240 nan 0.000 0.543 116 G N 1.542 110.386 108.800 0.073 0.000 2.147 116 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.244 116 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.244 116 G C 0.328 175.322 174.900 0.157 0.000 1.005 116 G CA 0.379 45.565 45.100 0.143 0.000 0.713 116 G HN 0.604 nan 8.290 nan 0.000 0.515 117 L N -0.591 120.716 121.223 0.140 0.000 3.135 117 L HA 0.364 4.702 4.340 -0.003 0.000 0.279 117 L C -0.109 176.825 176.870 0.107 0.000 1.200 117 L CA -0.306 54.624 54.840 0.150 0.000 1.016 117 L CB 0.509 42.710 42.059 0.238 0.000 1.391 117 L HN 0.058 nan 8.230 nan 0.000 0.588 118 D N 0.708 121.127 120.400 0.032 0.000 2.362 118 D HA 0.490 5.129 4.640 -0.003 0.000 0.247 118 D C -1.048 175.196 176.300 -0.093 0.000 1.050 118 D CA -0.060 53.850 54.000 -0.150 0.000 0.839 118 D CB 3.696 44.090 40.800 -0.677 0.000 1.283 118 D HN -0.281 nan 8.370 nan 0.000 0.477 119 V N 1.972 121.914 119.914 0.046 0.000 2.760 119 V HA 0.219 4.337 4.120 -0.003 0.000 0.309 119 V C -1.443 174.809 176.094 0.265 0.000 1.077 119 V CA -0.725 61.696 62.300 0.202 0.000 0.910 119 V CB 2.331 34.279 31.823 0.209 0.000 1.008 119 V HN 0.377 nan 8.190 nan 0.000 0.424 120 D N 5.881 126.469 120.400 0.313 0.000 2.256 120 D HA 0.536 5.174 4.640 -0.003 0.000 0.250 120 D C -0.400 176.064 176.300 0.274 0.000 1.093 120 D CA 0.411 54.619 54.000 0.346 0.000 0.882 120 D CB 1.735 42.686 40.800 0.252 0.000 1.185 120 D HN 0.484 nan 8.370 nan 0.000 0.437 121 I N 2.120 122.887 120.570 0.329 0.000 2.499 121 I HA 0.235 4.403 4.170 -0.003 0.000 0.288 121 I C 0.056 176.396 176.117 0.370 0.000 1.048 121 I CA -0.840 60.613 61.300 0.256 0.000 1.062 121 I CB 1.672 39.781 38.000 0.183 0.000 1.238 121 I HN 0.148 nan 8.210 nan 0.000 0.426 122 F N 5.349 125.356 119.950 0.094 0.000 2.506 122 F HA 0.146 4.670 4.527 -0.005 0.000 0.351 122 F C 0.837 176.678 175.800 0.068 0.000 1.136 122 F CA -0.492 57.567 58.000 0.098 0.000 1.298 122 F CB 0.865 39.880 39.000 0.025 0.000 1.145 122 F HN 0.334 nan 8.300 nan 0.000 0.593 123 L N 4.652 125.944 121.223 0.114 0.000 2.934 123 L HA 0.216 4.554 4.340 -0.003 0.000 0.233 123 L C -0.590 176.288 176.870 0.013 0.000 1.358 123 L CA 0.152 55.024 54.840 0.053 0.000 1.233 123 L CB -0.594 41.500 42.059 0.059 0.000 1.594 123 L HN 0.608 nan 8.230 nan 0.000 0.439 124 Q N 0.964 120.790 119.800 0.043 0.000 2.389 124 Q HA 0.579 4.917 4.340 -0.003 0.000 0.277 124 Q C -0.914 175.070 176.000 -0.027 0.000 1.082 124 Q CA -0.659 55.161 55.803 0.028 0.000 0.810 124 Q CB 3.267 32.070 28.738 0.108 0.000 1.374 124 Q HN 0.284 nan 8.270 nan 0.000 0.422 125 L N 3.126 124.323 121.223 -0.042 0.000 2.495 125 L HA 0.378 4.716 4.340 -0.003 0.000 0.248 125 L C -2.292 174.541 176.870 -0.061 0.000 1.229 125 L CA -1.741 53.055 54.840 -0.073 0.000 0.942 125 L CB 0.940 42.963 42.059 -0.061 0.000 1.242 125 L HN 0.292 nan 8.230 nan 0.000 0.484 126 P HA 0.073 nan 4.420 nan 0.000 0.268 126 P C 0.021 177.318 177.300 -0.006 0.000 1.204 126 P CA -0.118 62.975 63.100 -0.012 0.000 0.768 126 P CB 1.170 32.842 31.700 -0.046 0.000 0.842 127 K N 0.464 120.886 120.400 0.037 0.000 2.296 127 K HA 0.055 4.374 4.320 -0.003 0.000 0.200 127 K C 0.367 176.990 176.600 0.040 0.000 1.048 127 K CA 0.878 57.180 56.287 0.026 0.000 0.966 127 K CB 0.080 32.597 32.500 0.027 0.000 0.754 127 K HN 0.454 nan 8.250 nan 0.000 0.466 128 T N 1.669 116.271 114.554 0.080 0.000 2.770 128 T HA 0.269 4.618 4.350 -0.003 0.000 0.283 128 T C -0.331 174.454 174.700 0.142 0.000 0.988 128 T CA -0.650 61.507 62.100 0.095 0.000 0.957 128 T CB 1.410 70.342 68.868 0.106 0.000 0.930 128 T HN 0.057 nan 8.240 nan 0.000 0.443 129 R N 1.827 122.381 120.500 0.091 0.000 2.638 129 R HA 0.035 4.374 4.340 -0.003 0.000 0.268 129 R C -0.189 176.271 176.300 0.268 0.000 1.006 129 R CA -0.134 56.027 56.100 0.101 0.000 1.088 129 R CB 0.375 30.698 30.300 0.037 0.000 0.950 129 R HN 0.494 nan 8.270 nan 0.000 0.419 130 W N 1.686 122.981 121.300 -0.007 0.000 2.184 130 W HA 0.057 4.711 4.660 -0.010 0.000 0.338 130 W C 0.889 177.397 176.519 -0.019 0.000 1.257 130 W CA -0.750 56.591 57.345 -0.007 0.000 1.243 130 W CB 0.241 29.698 29.460 -0.005 0.000 1.122 130 W HN 0.572 nan 8.180 nan 0.000 0.585 131 T N -1.487 113.154 114.554 0.146 0.000 2.754 131 T HA 0.140 4.489 4.350 -0.003 0.000 0.286 131 T C 1.163 175.899 174.700 0.060 0.000 0.997 131 T CA -0.269 61.868 62.100 0.062 0.000 0.982 131 T CB 0.826 69.695 68.868 0.002 0.000 1.027 131 T HN 0.288 nan 8.240 nan 0.000 0.529 132 S N 0.656 116.372 115.700 0.026 0.000 2.383 132 S HA -0.068 4.401 4.470 -0.003 0.000 0.229 132 S C 2.455 177.059 174.600 0.006 0.000 1.030 132 S CA 1.033 59.242 58.200 0.016 0.000 1.002 132 S CB -0.974 62.226 63.200 -0.000 0.000 0.829 132 S HN 0.875 nan 8.310 nan 0.000 0.467 133 A N 1.277 124.089 122.820 -0.013 0.000 1.898 133 A HA -0.131 4.187 4.320 -0.003 0.000 0.216 133 A C 2.100 179.650 177.584 -0.056 0.000 1.181 133 A CA 1.214 53.231 52.037 -0.032 0.000 0.620 133 A CB -0.563 18.411 19.000 -0.043 0.000 0.819 133 A HN 0.513 nan 8.150 nan 0.000 0.442 134 Q N -0.573 119.175 119.800 -0.087 0.000 2.124 134 Q HA -0.063 4.275 4.340 -0.003 0.000 0.202 134 Q C 1.977 177.957 176.000 -0.032 0.000 0.977 134 Q CA 1.283 56.964 55.803 -0.203 0.000 0.850 134 Q CB -0.265 28.219 28.738 -0.424 0.000 0.901 134 Q HN 0.683 nan 8.270 nan 0.000 0.429 135 L N -0.351 120.936 121.223 0.107 0.000 2.156 135 L HA -0.154 4.185 4.340 -0.003 0.000 0.208 135 L C 1.958 178.857 176.870 0.049 0.000 1.095 135 L CA 0.305 55.239 54.840 0.156 0.000 0.770 135 L CB -0.136 41.998 42.059 0.125 0.000 0.914 135 L HN 0.219 nan 8.230 nan 0.000 0.439 136 L N -0.420 120.812 121.223 0.015 0.000 2.179 136 L HA -0.028 4.310 4.340 -0.003 0.000 0.208 136 L C 1.122 177.985 176.870 -0.011 0.000 1.096 136 L CA 1.514 56.352 54.840 -0.002 0.000 0.779 136 L CB -0.281 41.775 42.059 -0.005 0.000 0.922 136 L HN 0.120 nan 8.230 nan 0.000 0.443 137 R N 0.049 120.537 120.500 -0.020 0.000 2.748 137 R HA 0.269 4.607 4.340 -0.003 0.000 0.283 137 R C -2.330 173.953 176.300 -0.029 0.000 1.507 137 R CA -1.450 54.637 56.100 -0.023 0.000 1.666 137 R CB 0.549 30.829 30.300 -0.032 0.000 1.237 137 R HN 0.041 nan 8.270 nan 0.000 0.633 138 P HA -0.006 nan 4.420 nan 0.000 0.275 138 P C -0.808 176.603 177.300 0.185 0.000 1.227 138 P CA -0.360 62.795 63.100 0.092 0.000 0.781 138 P CB 1.107 32.862 31.700 0.092 0.000 0.906 139 Q N 2.267 122.149 119.800 0.136 0.000 2.390 139 Q HA 0.514 4.852 4.340 -0.003 0.000 0.249 139 Q C -0.642 175.554 176.000 0.326 0.000 0.996 139 Q CA -0.574 55.321 55.803 0.153 0.000 0.899 139 Q CB 0.312 29.038 28.738 -0.021 0.000 1.216 139 Q HN 0.550 nan 8.270 nan 0.000 0.465 140 A N 3.771 126.734 122.820 0.238 0.000 2.445 140 A HA 0.423 4.741 4.320 -0.003 0.000 0.242 140 A C -0.878 176.681 177.584 -0.042 0.000 1.075 140 A CA -0.407 51.587 52.037 -0.072 0.000 0.777 140 A CB 0.252 19.194 19.000 -0.097 0.000 1.013 140 A HN 0.745 nan 8.150 nan 0.000 0.493 141 L N 2.142 123.296 121.223 -0.116 0.000 2.295 141 L HA 0.372 4.711 4.340 -0.003 0.000 0.281 141 L C -0.475 176.379 176.870 -0.027 0.000 1.018 141 L CA -0.443 54.383 54.840 -0.023 0.000 0.841 141 L CB 1.271 43.345 42.059 0.025 0.000 1.218 141 L HN 0.710 nan 8.230 nan 0.000 0.424 142 D N 4.169 124.574 120.400 0.007 0.000 2.401 142 D HA 0.058 4.697 4.640 -0.003 0.000 0.254 142 D C 0.821 177.157 176.300 0.060 0.000 1.192 142 D CA 0.304 54.322 54.000 0.030 0.000 0.885 142 D CB 0.901 41.722 40.800 0.034 0.000 1.147 142 D HN 0.642 nan 8.370 nan 0.000 0.478 143 L N 2.977 124.253 121.223 0.089 0.000 2.591 143 L HA 0.128 4.466 4.340 -0.003 0.000 0.228 143 L C 0.272 177.220 176.870 0.130 0.000 1.133 143 L CA -0.026 54.904 54.840 0.150 0.000 0.880 143 L CB 0.212 42.417 42.059 0.244 0.000 1.033 143 L HN 0.182 nan 8.230 nan 0.000 0.450 144 V N -0.853 119.104 119.914 0.072 0.000 2.769 144 V HA 0.285 4.403 4.120 -0.003 0.000 0.312 144 V C 0.460 176.531 176.094 -0.038 0.000 1.058 144 V CA -0.905 61.404 62.300 0.016 0.000 0.952 144 V CB 1.978 33.818 31.823 0.030 0.000 1.019 144 V HN 0.270 nan 8.190 nan 0.000 0.445 145 S N 3.509 119.108 115.700 -0.167 0.000 2.576 145 S HA 0.194 4.663 4.470 -0.003 0.000 0.272 145 S C 1.026 175.561 174.600 -0.109 0.000 1.352 145 S CA -0.155 57.914 58.200 -0.218 0.000 1.021 145 S CB 0.540 63.361 63.200 -0.631 0.000 0.887 145 S HN 0.638 nan 8.310 nan 0.000 0.542 146 R N 0.904 121.368 120.500 -0.059 0.000 2.091 146 R HA -0.112 4.227 4.340 -0.003 0.000 0.238 146 R C 1.482 177.776 176.300 -0.009 0.000 1.136 146 R CA 1.811 57.902 56.100 -0.015 0.000 0.959 146 R CB -0.491 29.811 30.300 0.003 0.000 0.856 146 R HN 0.924 nan 8.270 nan 0.000 0.437 147 D N -1.271 119.112 120.400 -0.028 0.000 2.363 147 D HA 0.009 4.648 4.640 -0.003 0.000 0.226 147 D C 1.105 177.418 176.300 0.020 0.000 1.020 147 D CA 0.919 54.920 54.000 0.002 0.000 0.892 147 D CB 0.059 40.865 40.800 0.009 0.000 0.900 147 D HN 0.311 nan 8.370 nan 0.000 0.531 148 G N 0.573 109.368 108.800 -0.008 0.000 2.184 148 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.264 148 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.264 148 G C 1.228 176.198 174.900 0.118 0.000 0.975 148 G CA 0.491 45.629 45.100 0.064 0.000 0.642 148 G HN 0.349 nan 8.290 nan 0.000 0.536 149 K N 0.407 120.792 120.400 -0.025 0.000 2.305 149 K HA 0.139 4.458 4.320 -0.003 0.000 0.199 149 K C 0.960 177.490 176.600 -0.118 0.000 1.047 149 K CA 1.719 57.956 56.287 -0.084 0.000 0.976 149 K CB 0.092 32.562 32.500 -0.049 0.000 0.765 149 K HN 0.975 nan 8.250 nan 0.000 0.474 150 H N -3.426 115.609 119.070 -0.059 0.000 3.042 150 H HA 0.377 4.931 4.556 -0.003 0.000 0.346 150 H C -0.359 174.942 175.328 -0.045 0.000 1.294 150 H CA -1.320 54.675 56.048 -0.088 0.000 1.141 150 H CB 0.702 30.393 29.762 -0.117 0.000 1.872 150 H HN -0.197 nan 8.280 nan 0.000 0.541 151 V N -0.081 119.849 119.914 0.027 0.000 2.963 151 V HA 0.305 4.423 4.120 -0.003 0.000 0.306 151 V C 0.232 176.434 176.094 0.181 0.000 1.077 151 V CA -0.872 61.444 62.300 0.027 0.000 1.124 151 V CB 0.788 32.535 31.823 -0.127 0.000 0.987 151 V HN 0.623 nan 8.190 nan 0.000 0.487 152 V N 5.236 125.247 119.914 0.162 0.000 2.439 152 V HA 0.110 4.228 4.120 -0.003 0.000 0.271 152 V C 1.710 177.927 176.094 0.207 0.000 1.040 152 V CA 0.817 63.229 62.300 0.186 0.000 1.002 152 V CB 0.275 32.178 31.823 0.134 0.000 1.000 152 V HN 1.273 nan 8.190 nan 0.000 0.477 153 S N 3.555 119.360 115.700 0.175 0.000 2.382 153 S HA -0.191 4.278 4.470 -0.003 0.000 0.228 153 S C 1.804 176.507 174.600 0.171 0.000 1.027 153 S CA 1.470 59.766 58.200 0.160 0.000 0.991 153 S CB -0.594 62.657 63.200 0.085 0.000 0.823 153 S HN 0.916 nan 8.310 nan 0.000 0.469 154 T N -0.165 114.469 114.554 0.133 0.000 3.118 154 T HA 0.285 4.633 4.350 -0.003 0.000 0.260 154 T C 1.468 176.237 174.700 0.116 0.000 1.139 154 T CA 0.432 62.596 62.100 0.108 0.000 1.085 154 T CB -0.447 68.469 68.868 0.079 0.000 0.934 154 T HN 0.421 nan 8.240 nan 0.000 0.518 155 L N -1.297 120.018 121.223 0.154 0.000 2.556 155 L HA 0.380 4.718 4.340 -0.003 0.000 0.226 155 L C 1.073 178.056 176.870 0.189 0.000 1.089 155 L CA -0.535 54.394 54.840 0.147 0.000 0.864 155 L CB 0.094 42.239 42.059 0.143 0.000 1.067 155 L HN 0.422 nan 8.230 nan 0.000 0.477 156 W N 3.474 124.810 121.300 0.061 0.000 2.311 156 W HA 0.222 4.884 4.660 0.002 0.000 0.310 156 W C -0.625 175.932 176.519 0.063 0.000 1.274 156 W CA -0.028 57.359 57.345 0.070 0.000 1.215 156 W CB 0.922 30.428 29.460 0.076 0.000 1.227 156 W HN -0.146 nan 8.180 nan 0.000 0.523 157 K N 6.657 126.672 120.400 -0.642 0.000 2.371 157 K HA 0.284 4.602 4.320 -0.003 0.000 0.251 157 K C -1.785 174.507 176.600 -0.513 0.000 0.934 157 K CA -2.067 53.983 56.287 -0.395 0.000 0.798 157 K CB 1.606 33.956 32.500 -0.250 0.000 1.204 157 K HN 0.164 nan 8.250 nan 0.000 0.427 158 P HA -0.142 nan 4.420 nan 0.000 0.219 158 P C 0.475 177.732 177.300 -0.072 0.000 1.146 158 P CA 1.272 64.304 63.100 -0.114 0.000 0.808 158 P CB 0.488 32.153 31.700 -0.058 0.000 0.779 159 E N -0.984 119.141 120.200 -0.126 0.000 2.150 159 E HA -0.112 4.236 4.350 -0.003 0.000 0.193 159 E C 1.883 178.398 176.600 -0.142 0.000 0.985 159 E CA 0.801 57.141 56.400 -0.100 0.000 0.814 159 E CB -0.697 28.947 29.700 -0.093 0.000 0.752 159 E HN 0.188 nan 8.360 nan 0.000 0.466 160 I N 0.008 120.417 120.570 -0.269 0.000 2.406 160 I HA -0.145 4.024 4.170 -0.003 0.000 0.249 160 I C 2.054 178.031 176.117 -0.232 0.000 1.122 160 I CA 0.789 61.906 61.300 -0.305 0.000 1.431 160 I CB -0.944 36.765 38.000 -0.484 0.000 1.087 160 I HN 0.114 nan 8.210 nan 0.000 0.424 161 F N 1.975 121.704 119.950 -0.369 0.000 2.091 161 F HA -0.278 4.246 4.527 -0.004 0.000 0.299 161 F C 2.678 178.442 175.800 -0.061 0.000 1.103 161 F CA 2.067 60.058 58.000 -0.015 0.000 1.228 161 F CB -0.235 38.836 39.000 0.118 0.000 0.984 161 F HN -0.051 nan 8.300 nan 0.000 0.477 162 S N 0.685 116.389 115.700 0.008 0.000 2.368 162 S HA -0.160 4.308 4.470 -0.003 0.000 0.224 162 S C 1.841 176.302 174.600 -0.233 0.000 1.029 162 S CA 1.175 59.301 58.200 -0.125 0.000 0.988 162 S CB -0.683 62.516 63.200 -0.000 0.000 0.838 162 S HN 0.443 nan 8.310 nan 0.000 0.462 163 L N 2.083 123.206 121.223 -0.168 0.000 2.012 163 L HA -0.073 4.266 4.340 -0.003 0.000 0.210 163 L C 1.880 178.653 176.870 -0.163 0.000 1.073 163 L CA 1.756 56.510 54.840 -0.142 0.000 0.748 163 L CB -0.591 41.412 42.059 -0.094 0.000 0.891 163 L HN 0.299 nan 8.230 nan 0.000 0.431 164 I N -0.656 119.805 120.570 -0.181 0.000 2.252 164 I HA -0.275 3.893 4.170 -0.003 0.000 0.245 164 I C 2.573 178.472 176.117 -0.364 0.000 1.102 164 I CA 1.518 62.726 61.300 -0.153 0.000 1.385 164 I CB -0.460 37.528 38.000 -0.019 0.000 1.064 164 I HN 0.320 nan 8.210 nan 0.000 0.414 165 K N 1.545 121.486 120.400 -0.766 0.000 2.057 165 K HA -0.161 4.157 4.320 -0.003 0.000 0.207 165 K C 2.214 178.371 176.600 -0.739 0.000 1.049 165 K CA 1.337 56.823 56.287 -1.334 0.000 0.931 165 K CB -0.082 31.410 32.500 -1.680 0.000 0.714 165 K HN 0.230 nan 8.250 nan 0.000 0.440 166 L N 0.581 121.533 121.223 -0.450 0.000 2.042 166 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 166 L C 2.645 179.432 176.870 -0.138 0.000 1.076 166 L CA 1.374 56.059 54.840 -0.258 0.000 0.749 166 L CB -0.540 41.404 42.059 -0.191 0.000 0.893 166 L HN 0.326 nan 8.230 nan 0.000 0.432 167 A N -0.159 122.611 122.820 -0.082 0.000 1.877 167 A HA -0.172 4.147 4.320 -0.003 0.000 0.216 167 A C 2.497 180.110 177.584 0.048 0.000 1.186 167 A CA 1.752 53.862 52.037 0.122 0.000 0.620 167 A CB -0.775 18.328 19.000 0.172 0.000 0.822 167 A HN 0.406 nan 8.150 nan 0.000 0.443 168 A N -0.938 121.846 122.820 -0.060 0.000 1.969 168 A HA -0.167 4.151 4.320 -0.003 0.000 0.218 168 A C 2.035 179.616 177.584 -0.006 0.000 1.169 168 A CA 1.499 53.534 52.037 -0.004 0.000 0.635 168 A CB -0.471 18.632 19.000 0.173 0.000 0.810 168 A HN 0.655 nan 8.150 nan 0.000 0.445 169 Q N -0.174 119.566 119.800 -0.099 0.000 2.435 169 Q HA -0.034 4.304 4.340 -0.003 0.000 0.207 169 Q C -0.009 175.983 176.000 -0.013 0.000 0.956 169 Q CA 0.027 55.795 55.803 -0.059 0.000 0.917 169 Q CB 0.028 28.676 28.738 -0.149 0.000 0.997 169 Q HN 0.627 nan 8.270 nan 0.000 0.497 170 D N 1.611 122.022 120.400 0.019 0.000 2.425 170 D HA -0.064 4.574 4.640 -0.003 0.000 0.247 170 D C 0.954 177.265 176.300 0.018 0.000 1.147 170 D CA 0.198 54.236 54.000 0.063 0.000 0.879 170 D CB 0.903 41.831 40.800 0.213 0.000 1.179 170 D HN 0.162 nan 8.370 nan 0.000 0.456 171 K N 3.013 123.425 120.400 0.019 0.000 2.283 171 K HA -0.148 4.170 4.320 -0.003 0.000 0.202 171 K C 0.338 176.924 176.600 -0.024 0.000 1.048 171 K CA 0.932 57.219 56.287 -0.000 0.000 0.948 171 K CB 0.232 32.737 32.500 0.008 0.000 0.742 171 K HN 0.257 nan 8.250 nan 0.000 0.458 172 D N 1.271 121.652 120.400 -0.032 0.000 2.323 172 D HA 0.032 4.670 4.640 -0.003 0.000 0.209 172 D C 0.220 176.421 176.300 -0.165 0.000 0.973 172 D CA 0.259 54.214 54.000 -0.076 0.000 0.874 172 D CB 0.280 41.050 40.800 -0.050 0.000 0.930 172 D HN -0.032 nan 8.370 nan 0.000 0.521 173 V N 1.402 121.194 119.914 -0.204 0.000 2.583 173 V HA 0.111 4.230 4.120 -0.003 0.000 0.287 173 V C 1.683 177.665 176.094 -0.186 0.000 1.051 173 V CA 0.328 62.466 62.300 -0.271 0.000 1.010 173 V CB 1.635 33.286 31.823 -0.287 0.000 0.988 173 V HN 0.202 nan 8.190 nan 0.000 0.478 174 T N 2.431 116.856 114.554 -0.216 0.000 3.042 174 T HA 0.306 4.655 4.350 -0.003 0.000 0.245 174 T C 0.714 175.255 174.700 -0.264 0.000 1.029 174 T CA -0.024 61.956 62.100 -0.201 0.000 1.120 174 T CB 0.347 69.096 68.868 -0.198 0.000 0.917 174 T HN 0.512 nan 8.240 nan 0.000 0.467 175 R N -0.063 120.220 120.500 -0.361 0.000 2.668 175 R HA 0.697 5.036 4.340 -0.003 0.000 0.272 175 R C -1.670 174.298 176.300 -0.554 0.000 1.019 175 R CA -0.694 55.080 56.100 -0.543 0.000 0.894 175 R CB 2.352 32.175 30.300 -0.796 0.000 1.228 175 R HN 0.225 nan 8.270 nan 0.000 0.460 176 I N 3.016 123.237 120.570 -0.581 0.000 2.468 176 I HA 0.316 4.484 4.170 -0.003 0.000 0.284 176 I C -0.973 174.828 176.117 -0.526 0.000 1.038 176 I CA -0.598 60.464 61.300 -0.397 0.000 1.083 176 I CB 1.263 39.175 38.000 -0.146 0.000 1.223 176 I HN 0.371 nan 8.210 nan 0.000 0.443 177 F N 6.631 126.432 119.950 -0.248 0.000 2.420 177 F HA 0.535 5.060 4.527 -0.003 0.000 0.352 177 F C 0.483 176.136 175.800 -0.245 0.000 1.108 177 F CA -0.592 57.195 58.000 -0.355 0.000 1.162 177 F CB 1.249 39.880 39.000 -0.615 0.000 1.118 177 F HN 0.185 nan 8.300 nan 0.000 0.510 178 V N 0.590 120.444 119.914 -0.100 0.000 3.159 178 V HA 0.485 4.603 4.120 -0.003 0.000 0.308 178 V C -0.509 175.528 176.094 -0.095 0.000 1.190 178 V CA -1.283 61.003 62.300 -0.023 0.000 1.037 178 V CB 1.765 33.596 31.823 0.014 0.000 1.060 178 V HN 0.754 nan 8.190 nan 0.000 0.437 179 N N 1.993 120.688 118.700 -0.009 0.000 2.395 179 N HA 0.152 4.891 4.740 -0.003 0.000 0.246 179 N C -1.699 173.703 175.510 -0.180 0.000 1.246 179 N CA -0.580 52.424 53.050 -0.077 0.000 0.879 179 N CB 1.777 40.280 38.487 0.027 0.000 1.098 179 N HN 0.539 nan 8.380 nan 0.000 0.444 180 P HA -0.128 nan 4.420 nan 0.000 0.216 180 P C 0.744 178.036 177.300 -0.013 0.000 1.150 180 P CA 1.488 64.366 63.100 -0.370 0.000 0.843 180 P CB 0.019 31.288 31.700 -0.720 0.000 0.787 181 A N -0.859 122.039 122.820 0.130 0.000 1.972 181 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 181 A C 2.221 179.804 177.584 -0.002 0.000 1.169 181 A CA 1.335 53.484 52.037 0.186 0.000 0.635 181 A CB -1.537 17.540 19.000 0.127 0.000 0.810 181 A HN 0.140 nan 8.150 nan 0.000 0.446 182 I N -0.805 119.752 120.570 -0.021 0.000 2.286 182 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 182 I C 2.502 178.587 176.117 -0.053 0.000 1.104 182 I CA 1.671 62.940 61.300 -0.053 0.000 1.397 182 I CB -0.226 37.834 38.000 0.100 0.000 1.072 182 I HN 0.351 nan 8.210 nan 0.000 0.417 183 K N 0.955 121.328 120.400 -0.044 0.000 2.063 183 K HA -0.292 4.026 4.320 -0.003 0.000 0.208 183 K C 2.208 178.781 176.600 -0.045 0.000 1.048 183 K CA 1.718 57.973 56.287 -0.053 0.000 0.928 183 K CB -0.109 32.319 32.500 -0.120 0.000 0.713 183 K HN 0.262 nan 8.250 nan 0.000 0.442 184 Q N 0.305 120.096 119.800 -0.016 0.000 2.061 184 Q HA -0.282 4.056 4.340 -0.003 0.000 0.204 184 Q C 2.159 178.105 176.000 -0.090 0.000 0.984 184 Q CA 1.999 57.797 55.803 -0.007 0.000 0.846 184 Q CB -0.064 28.712 28.738 0.063 0.000 0.902 184 Q HN 0.267 nan 8.270 nan 0.000 0.421 185 Q N 0.189 119.861 119.800 -0.214 0.000 2.119 185 Q HA -0.080 4.258 4.340 -0.003 0.000 0.201 185 Q C 1.970 177.926 176.000 -0.073 0.000 0.972 185 Q CA 1.374 56.971 55.803 -0.344 0.000 0.847 185 Q CB -0.203 27.953 28.738 -0.970 0.000 0.903 185 Q HN 0.517 nan 8.270 nan 0.000 0.433 186 L N -0.900 120.370 121.223 0.078 0.000 2.042 186 L HA -0.290 4.049 4.340 -0.003 0.000 0.210 186 L C 2.497 179.499 176.870 0.219 0.000 1.076 186 L CA 1.229 56.296 54.840 0.377 0.000 0.749 186 L CB -0.724 41.524 42.059 0.314 0.000 0.893 186 L HN 0.335 nan 8.230 nan 0.000 0.432 187 c N -0.113 118.501 118.600 0.024 0.000 2.413 187 c HA -0.166 4.403 4.570 -0.003 0.000 0.276 187 c C 2.761 176.853 174.090 0.004 0.000 1.248 187 c CA 0.641 56.946 56.329 -0.040 0.000 1.742 187 c CB -0.851 41.622 42.510 -0.061 0.000 2.017 187 c HN 0.440 nan 8.230 nan 0.000 0.481 188 L N 0.348 121.574 121.223 0.005 0.000 2.141 188 L HA -0.101 4.237 4.340 -0.003 0.000 0.209 188 L C 1.991 178.872 176.870 0.018 0.000 1.094 188 L CA 1.325 56.161 54.840 -0.006 0.000 0.763 188 L CB -0.635 41.398 42.059 -0.043 0.000 0.908 188 L HN 0.294 nan 8.230 nan 0.000 0.437 189 D N -0.024 120.417 120.400 0.069 0.000 2.323 189 D HA -0.007 4.631 4.640 -0.003 0.000 0.209 189 D C 2.175 178.485 176.300 0.017 0.000 0.973 189 D CA 0.970 54.957 54.000 -0.023 0.000 0.874 189 D CB 0.206 40.926 40.800 -0.134 0.000 0.930 189 D HN 0.224 nan 8.370 nan 0.000 0.521 190 A N 0.532 123.503 122.820 0.252 0.000 1.969 190 A HA 0.279 4.598 4.320 -0.003 0.000 0.218 190 A C 1.679 179.413 177.584 0.249 0.000 1.169 190 A CA 1.613 53.909 52.037 0.432 0.000 0.635 190 A CB -0.690 18.493 19.000 0.304 0.000 0.810 190 A HN 0.315 nan 8.150 nan 0.000 0.445 191 G N -1.582 107.287 108.800 0.115 0.000 2.566 191 G HA2 -0.364 3.595 3.960 -0.003 0.000 0.280 191 G HA3 -0.364 3.595 3.960 -0.003 0.000 0.280 191 G C 0.936 175.885 174.900 0.082 0.000 1.225 191 G CA 0.919 46.066 45.100 0.079 0.000 0.966 191 G HN 0.640 nan 8.290 nan 0.000 0.560 192 T N 0.541 115.144 114.554 0.081 0.000 2.777 192 T HA 0.044 4.392 4.350 -0.003 0.000 0.266 192 T C 1.173 175.929 174.700 0.095 0.000 1.040 192 T CA 1.810 63.951 62.100 0.068 0.000 1.141 192 T CB -0.227 68.675 68.868 0.057 0.000 0.868 192 T HN 0.682 nan 8.240 nan 0.000 0.444 193 D N 1.918 122.412 120.400 0.156 0.000 2.517 193 D HA 0.093 4.731 4.640 -0.003 0.000 0.220 193 D C 1.059 177.557 176.300 0.331 0.000 1.158 193 D CA -0.359 53.772 54.000 0.219 0.000 0.992 193 D CB 0.081 41.020 40.800 0.231 0.000 1.058 193 D HN 0.474 nan 8.370 nan 0.000 0.516 194 R N 1.168 121.746 120.500 0.129 0.000 2.541 194 R HA 0.183 4.521 4.340 -0.003 0.000 0.332 194 R C 0.092 176.195 176.300 -0.329 0.000 0.951 194 R CA -0.406 55.597 56.100 -0.161 0.000 1.136 194 R CB 0.186 30.403 30.300 -0.139 0.000 1.449 194 R HN -0.077 nan 8.270 nan 0.000 0.531 195 D N 1.888 122.245 120.400 -0.072 0.000 2.178 195 D HA -0.177 4.462 4.640 -0.003 0.000 0.201 195 D C 1.612 177.869 176.300 -0.071 0.000 0.980 195 D CA 1.318 55.279 54.000 -0.064 0.000 0.842 195 D CB -0.291 40.522 40.800 0.021 0.000 0.948 195 D HN 0.503 nan 8.370 nan 0.000 0.472 196 W N 1.202 122.486 121.300 -0.028 0.000 2.387 196 W HA -0.105 4.555 4.660 -0.000 0.000 0.272 196 W C 1.312 177.790 176.519 -0.068 0.000 1.224 196 W CA 0.181 57.495 57.345 -0.051 0.000 1.210 196 W CB -1.184 28.243 29.460 -0.055 0.000 1.125 196 W HN 0.008 nan 8.180 nan 0.000 0.572 197 L N 1.112 121.891 121.223 -0.740 0.000 2.187 197 L HA -0.193 4.146 4.340 -0.003 0.000 0.213 197 L C 3.061 179.755 176.870 -0.294 0.000 1.100 197 L CA 1.741 56.178 54.840 -0.671 0.000 0.765 197 L CB -0.877 40.741 42.059 -0.735 0.000 0.904 197 L HN -0.013 nan 8.230 nan 0.000 0.437 198 R N 0.811 121.188 120.500 -0.205 0.000 2.127 198 R HA -0.192 4.146 4.340 -0.003 0.000 0.238 198 R C 2.055 178.274 176.300 -0.135 0.000 1.134 198 R CA 1.406 57.422 56.100 -0.140 0.000 0.975 198 R CB 0.001 30.242 30.300 -0.099 0.000 0.865 198 R HN 0.330 nan 8.270 nan 0.000 0.447 199 K N -0.118 120.218 120.400 -0.108 0.000 2.365 199 K HA 0.034 4.353 4.320 -0.003 0.000 0.199 199 K C 0.113 176.584 176.600 -0.216 0.000 1.045 199 K CA 0.348 56.549 56.287 -0.143 0.000 0.962 199 K CB 0.401 32.853 32.500 -0.079 0.000 0.759 199 K HN 0.009 nan 8.250 nan 0.000 0.469 200 V N 3.518 123.330 119.914 -0.170 0.000 2.455 200 V HA 0.093 4.211 4.120 -0.003 0.000 0.273 200 V C 0.096 176.030 176.094 -0.266 0.000 1.045 200 V CA -0.308 61.874 62.300 -0.196 0.000 0.976 200 V CB 0.728 32.486 31.823 -0.107 0.000 0.993 200 V HN 0.152 nan 8.190 nan 0.000 0.475 201 R N 5.502 125.777 120.500 -0.376 0.000 2.393 201 R HA 0.464 4.803 4.340 -0.003 0.000 0.315 201 R C -2.874 173.246 176.300 -0.301 0.000 0.952 201 R CA -2.693 53.203 56.100 -0.339 0.000 0.842 201 R CB 1.593 31.598 30.300 -0.491 0.000 1.163 201 R HN 0.363 nan 8.270 nan 0.000 0.450 202 P HA 0.180 nan 4.420 nan 0.000 0.271 202 P C -0.575 176.186 177.300 -0.898 0.000 1.218 202 P CA -0.142 62.487 63.100 -0.786 0.000 0.780 202 P CB 0.999 31.923 31.700 -1.294 0.000 0.901 203 W N 3.159 123.781 121.300 -1.131 0.000 3.074 203 W HA 0.335 4.993 4.660 -0.003 0.000 0.332 203 W C -1.202 174.960 176.519 -0.595 0.000 1.253 203 W CA -0.820 55.955 57.345 -0.950 0.000 1.180 203 W CB 1.094 30.245 29.460 -0.516 0.000 1.445 203 W HN 0.164 nan 8.180 nan 0.000 0.573 204 F N 3.125 122.770 119.950 -0.510 0.000 2.589 204 F HA -0.012 4.513 4.527 -0.003 0.000 0.352 204 F C 1.154 177.072 175.800 0.196 0.000 1.168 204 F CA 1.391 59.319 58.000 -0.121 0.000 1.353 204 F CB 0.002 38.894 39.000 -0.181 0.000 1.116 204 F HN 0.502 nan 8.300 nan 0.000 0.608 205 Q N 0.052 120.065 119.800 0.355 0.000 1.409 205 Q HA -0.340 3.999 4.340 -0.003 0.000 0.359 205 Q C 0.064 176.272 176.000 0.347 0.000 0.955 205 Q CA 1.725 57.716 55.803 0.313 0.000 0.718 205 Q CB -1.032 27.887 28.738 0.302 0.000 4.264 205 Q HN 0.799 nan 8.270 nan 0.000 0.586 206 H N -1.430 117.724 119.070 0.140 0.000 2.713 206 H HA -0.167 4.387 4.556 -0.003 0.000 0.311 206 H C 0.592 175.924 175.328 0.007 0.000 1.175 206 H CA 1.148 57.168 56.048 -0.047 0.000 1.143 206 H CB -1.090 28.611 29.762 -0.102 0.000 1.434 206 H HN 0.362 nan 8.280 nan 0.000 0.418 207 R N -0.328 120.251 120.500 0.131 0.000 2.254 207 R HA 0.414 4.752 4.340 -0.003 0.000 0.195 207 R C 1.708 178.054 176.300 0.078 0.000 0.957 207 R CA 0.945 57.107 56.100 0.104 0.000 1.024 207 R CB 0.665 31.019 30.300 0.090 0.000 0.952 207 R HN 0.374 nan 8.270 nan 0.000 0.484 208 A N 0.370 123.228 122.820 0.063 0.000 2.600 208 A HA 0.125 4.443 4.320 -0.003 0.000 0.252 208 A C -0.245 177.313 177.584 -0.044 0.000 1.200 208 A CA -0.390 51.608 52.037 -0.064 0.000 0.981 208 A CB 0.214 19.092 19.000 -0.204 0.000 1.207 208 A HN 0.334 nan 8.150 nan 0.000 0.577 209 H N -1.119 117.950 119.070 -0.002 0.000 3.037 209 H HA 0.645 5.199 4.556 -0.003 0.000 0.355 209 H C -1.101 174.355 175.328 0.213 0.000 1.263 209 H CA -0.817 55.306 56.048 0.126 0.000 1.129 209 H CB 0.598 30.488 29.762 0.213 0.000 1.861 209 H HN 0.244 nan 8.280 nan 0.000 0.546 210 M N 1.124 120.819 119.600 0.158 0.000 2.537 210 M HA 0.414 4.893 4.480 -0.003 0.000 0.324 210 M C -1.064 175.439 176.300 0.339 0.000 1.187 210 M CA -0.840 54.555 55.300 0.159 0.000 0.993 210 M CB 2.622 35.318 32.600 0.160 0.000 1.666 210 M HN 0.725 nan 8.290 nan 0.000 0.461 211 H N 1.825 121.062 119.070 0.278 0.000 2.595 211 H HA 0.626 5.181 4.556 -0.003 0.000 0.313 211 H C -1.836 173.629 175.328 0.228 0.000 1.023 211 H CA -0.991 55.274 56.048 0.361 0.000 1.218 211 H CB 1.250 31.302 29.762 0.483 0.000 1.403 211 H HN 0.668 nan 8.280 nan 0.000 0.477 212 V N 6.264 126.437 119.914 0.432 0.000 2.439 212 V HA 0.304 4.423 4.120 -0.003 0.000 0.282 212 V C 0.235 176.405 176.094 0.126 0.000 1.039 212 V CA -0.555 61.839 62.300 0.156 0.000 0.913 212 V CB 1.284 33.171 31.823 0.106 0.000 0.983 212 V HN 0.755 nan 8.190 nan 0.000 0.460 213 R N 4.393 124.828 120.500 -0.108 0.000 2.534 213 R HA 0.675 5.013 4.340 -0.003 0.000 0.301 213 R C -1.378 174.765 176.300 -0.261 0.000 0.961 213 R CA -0.654 55.333 56.100 -0.188 0.000 0.871 213 R CB 1.283 31.373 30.300 -0.350 0.000 1.170 213 R HN 0.707 nan 8.270 nan 0.000 0.446 214 L N 4.281 125.398 121.223 -0.177 0.000 2.375 214 L HA 0.544 4.882 4.340 -0.003 0.000 0.268 214 L C 0.611 177.474 176.870 -0.012 0.000 1.058 214 L CA -1.168 53.580 54.840 -0.153 0.000 0.803 214 L CB 1.349 43.327 42.059 -0.134 0.000 1.212 214 L HN 0.689 nan 8.230 nan 0.000 0.451 215 R N 0.120 120.601 120.500 -0.032 0.000 2.738 215 R HA 0.207 4.545 4.340 -0.003 0.000 0.268 215 R C -0.705 175.616 176.300 0.035 0.000 1.062 215 R CA -0.732 55.391 56.100 0.038 0.000 1.158 215 R CB 0.120 30.411 30.300 -0.015 0.000 1.046 215 R HN 0.449 nan 8.270 nan 0.000 0.493 216 c N 3.382 122.005 118.600 0.038 0.000 2.523 216 c HA 0.101 4.669 4.570 -0.003 0.000 0.406 216 c C -1.716 172.306 174.090 -0.115 0.000 1.449 216 c CA -0.586 55.698 56.329 -0.075 0.000 1.588 216 c CB -0.805 41.654 42.510 -0.085 0.000 2.514 216 c HN 0.644 nan 8.230 nan 0.000 0.606 217 P HA 0.083 nan 4.420 nan 0.000 0.266 217 P C 0.408 177.653 177.300 -0.093 0.000 1.193 217 P CA 0.365 63.338 63.100 -0.212 0.000 0.770 217 P CB 0.490 31.897 31.700 -0.488 0.000 0.836 218 A N 3.060 125.855 122.820 -0.042 0.000 1.940 218 A HA -0.199 4.119 4.320 -0.003 0.000 0.219 218 A C 1.361 178.941 177.584 -0.006 0.000 1.176 218 A CA 2.156 54.183 52.037 -0.016 0.000 0.631 218 A CB -1.033 17.968 19.000 0.002 0.000 0.814 218 A HN 0.667 nan 8.150 nan 0.000 0.446 219 D N -1.201 119.206 120.400 0.012 0.000 2.368 219 D HA 0.131 4.769 4.640 -0.003 0.000 0.218 219 D C -0.115 176.201 176.300 0.025 0.000 1.112 219 D CA 0.132 54.147 54.000 0.025 0.000 0.834 219 D CB -0.378 40.448 40.800 0.044 0.000 0.953 219 D HN 0.084 nan 8.370 nan 0.000 0.505 220 S N 0.829 116.530 115.700 0.001 0.000 3.363 220 S HA 0.249 4.718 4.470 -0.003 0.000 0.267 220 S C 1.445 176.025 174.600 -0.033 0.000 1.288 220 S CA -0.508 57.686 58.200 -0.011 0.000 0.948 220 S CB -0.013 63.156 63.200 -0.051 0.000 1.397 220 S HN 0.250 nan 8.310 nan 0.000 0.493 221 L N 1.364 122.575 121.223 -0.019 0.000 2.362 221 L HA -0.006 4.332 4.340 -0.003 0.000 0.219 221 L C 1.766 178.615 176.870 -0.035 0.000 1.134 221 L CA 1.087 55.913 54.840 -0.024 0.000 0.807 221 L CB -0.224 41.827 42.059 -0.013 0.000 0.927 221 L HN 0.510 nan 8.230 nan 0.000 0.447 222 E N -1.003 119.172 120.200 -0.042 0.000 2.463 222 E HA 0.038 4.386 4.350 -0.003 0.000 0.193 222 E C 0.235 176.782 176.600 -0.088 0.000 1.041 222 E CA -0.298 56.070 56.400 -0.055 0.000 0.879 222 E CB 0.460 30.133 29.700 -0.045 0.000 0.997 222 E HN 0.315 nan 8.360 nan 0.000 0.478 223 c N 1.922 120.460 118.600 -0.103 0.000 2.527 223 c HA 0.165 4.733 4.570 -0.003 0.000 0.396 223 c C 0.125 174.122 174.090 -0.156 0.000 1.289 223 c CA -0.330 55.900 56.329 -0.165 0.000 2.047 223 c CB -0.247 42.157 42.510 -0.176 0.000 2.568 223 c HN 0.272 nan 8.230 nan 0.000 0.573 224 E N 4.009 124.083 120.200 -0.209 0.000 2.113 224 E HA 0.264 4.613 4.350 -0.003 0.000 0.273 224 E C -0.688 175.842 176.600 -0.117 0.000 0.924 224 E CA -0.386 55.931 56.400 -0.139 0.000 0.764 224 E CB 0.922 30.549 29.700 -0.121 0.000 1.104 224 E HN 0.654 nan 8.360 nan 0.000 0.406 225 D N 2.537 122.930 120.400 -0.011 0.000 2.329 225 D HA 0.079 4.717 4.640 -0.003 0.000 0.246 225 D C -0.018 176.358 176.300 0.127 0.000 1.111 225 D CA -0.035 54.029 54.000 0.106 0.000 0.941 225 D CB 1.074 41.911 40.800 0.062 0.000 1.169 225 D HN 0.337 nan 8.370 nan 0.000 0.441 226 Q N 0.771 120.675 119.800 0.174 0.000 2.221 226 Q HA 0.384 4.722 4.340 -0.003 0.000 0.242 226 Q C -1.944 174.078 176.000 0.036 0.000 0.940 226 Q CA -1.469 54.389 55.803 0.093 0.000 0.896 226 Q CB 0.512 29.284 28.738 0.057 0.000 1.226 226 Q HN 0.199 nan 8.270 nan 0.000 0.463 227 P HA 0.029 nan 4.420 nan 0.000 0.271 227 P C -0.631 176.660 177.300 -0.014 0.000 1.233 227 P CA -0.227 62.876 63.100 0.003 0.000 0.789 227 P CB 0.463 32.166 31.700 0.005 0.000 0.951 228 L N 1.783 122.994 121.223 -0.021 0.000 2.482 228 L HA 0.150 4.488 4.340 -0.003 0.000 0.273 228 L C -1.645 175.201 176.870 -0.040 0.000 1.228 228 L CA -1.387 53.432 54.840 -0.036 0.000 0.827 228 L CB -0.571 41.469 42.059 -0.031 0.000 1.099 228 L HN 0.365 nan 8.230 nan 0.000 0.494 229 P HA 0.156 nan 4.420 nan 0.000 0.274 229 P C -2.498 174.780 177.300 -0.037 0.000 1.260 229 P CA -0.959 62.108 63.100 -0.056 0.000 0.793 229 P CB -0.331 31.314 31.700 -0.091 0.000 1.048 230 P HA 0.007 nan 4.420 nan 0.000 0.268 230 P C -0.067 177.215 177.300 -0.030 0.000 1.208 230 P CA 0.076 63.165 63.100 -0.018 0.000 0.777 230 P CB 0.063 31.759 31.700 -0.007 0.000 0.875 231 S N 0.905 116.590 115.700 -0.025 0.000 2.584 231 S HA 0.508 4.976 4.470 -0.003 0.000 0.270 231 S C 0.647 175.225 174.600 -0.037 0.000 1.346 231 S CA 0.225 58.408 58.200 -0.029 0.000 1.018 231 S CB -0.340 62.847 63.200 -0.022 0.000 0.899 231 S HN 1.005 nan 8.310 nan 0.000 0.542 232 G N 2.015 110.788 108.800 -0.044 0.000 2.782 232 G HA2 -0.206 3.753 3.960 -0.003 0.000 0.228 232 G HA3 -0.206 3.753 3.960 -0.003 0.000 0.228 232 G C -0.046 174.805 174.900 -0.081 0.000 1.372 232 G CA 0.275 45.343 45.100 -0.055 0.000 0.862 232 G HN 1.185 nan 8.290 nan 0.000 0.547 233 D N -0.650 119.691 120.400 -0.099 0.000 2.264 233 D HA 0.296 4.934 4.640 -0.003 0.000 0.208 233 D C 2.068 178.287 176.300 -0.135 0.000 0.966 233 D CA 1.734 55.644 54.000 -0.150 0.000 0.864 233 D CB -0.611 40.080 40.800 -0.182 0.000 0.933 233 D HN 2.329 nan 8.370 nan 0.000 0.499 234 G N -0.743 108.004 108.800 -0.088 0.000 2.148 234 G HA2 -0.353 3.606 3.960 -0.003 0.000 0.254 234 G HA3 -0.353 3.606 3.960 -0.003 0.000 0.254 234 G C 1.024 175.891 174.900 -0.054 0.000 0.981 234 G CA 0.353 45.414 45.100 -0.065 0.000 0.670 234 G HN 0.458 nan 8.290 nan 0.000 0.528 235 c N 0.398 118.961 118.600 -0.061 0.000 2.562 235 c HA 0.490 5.059 4.570 -0.003 0.000 0.266 235 c C 2.483 176.571 174.090 -0.003 0.000 1.382 235 c CA 0.679 56.982 56.329 -0.042 0.000 1.742 235 c CB -1.016 41.456 42.510 -0.063 0.000 1.812 235 c HN 0.842 nan 8.230 nan 0.000 0.559 236 G N 0.316 109.116 108.800 -0.000 0.000 3.380 236 G HA2 0.400 4.358 3.960 -0.003 0.000 0.188 236 G HA3 0.400 4.358 3.960 -0.003 0.000 0.188 236 G C 1.611 176.533 174.900 0.036 0.000 1.892 236 G CA 0.653 45.762 45.100 0.015 0.000 0.912 236 G HN 0.331 nan 8.290 nan 0.000 0.609 237 A N -0.290 122.545 122.820 0.026 0.000 1.908 237 A HA -0.076 4.242 4.320 -0.003 0.000 0.218 237 A C 2.136 179.749 177.584 0.048 0.000 1.181 237 A CA 2.318 54.375 52.037 0.032 0.000 0.627 237 A CB -0.645 18.365 19.000 0.016 0.000 0.818 237 A HN 0.618 nan 8.150 nan 0.000 0.445 238 E N -0.688 119.543 120.200 0.052 0.000 2.051 238 E HA -0.197 4.151 4.350 -0.003 0.000 0.192 238 E C 1.937 178.640 176.600 0.171 0.000 0.991 238 E CA 1.339 57.794 56.400 0.090 0.000 0.799 238 E CB -0.192 29.561 29.700 0.089 0.000 0.748 238 E HN 0.434 nan 8.360 nan 0.000 0.449 239 L N 1.621 122.918 121.223 0.124 0.000 2.017 239 L HA -0.228 4.110 4.340 -0.003 0.000 0.208 239 L C 2.505 179.481 176.870 0.176 0.000 1.073 239 L CA 2.012 56.926 54.840 0.123 0.000 0.745 239 L CB -0.731 41.375 42.059 0.080 0.000 0.894 239 L HN 0.215 nan 8.230 nan 0.000 0.432 240 Q N -0.850 119.064 119.800 0.190 0.000 2.135 240 Q HA -0.233 4.105 4.340 -0.003 0.000 0.204 240 Q C 2.221 178.319 176.000 0.164 0.000 0.981 240 Q CA 2.194 58.141 55.803 0.240 0.000 0.856 240 Q CB -0.154 28.665 28.738 0.136 0.000 0.902 240 Q HN 0.768 nan 8.270 nan 0.000 0.425 241 S N -1.080 114.659 115.700 0.064 0.000 2.419 241 S HA -0.163 4.305 4.470 -0.003 0.000 0.233 241 S C 1.265 175.759 174.600 -0.178 0.000 1.016 241 S CA 0.894 59.058 58.200 -0.061 0.000 0.974 241 S CB -0.763 62.363 63.200 -0.123 0.000 0.786 241 S HN 0.580 nan 8.310 nan 0.000 0.492 242 W N 0.558 121.699 121.300 -0.264 0.000 2.699 242 W HA 0.291 4.950 4.660 -0.001 0.000 0.249 242 W C 0.812 177.026 176.519 -0.508 0.000 1.280 242 W CA -0.179 56.890 57.345 -0.460 0.000 1.345 242 W CB -0.303 28.770 29.460 -0.644 0.000 1.128 242 W HN 0.294 nan 8.180 nan 0.000 0.642 243 F N -0.049 119.962 119.950 0.103 0.000 2.695 243 F HA 0.166 4.691 4.527 -0.003 0.000 0.303 243 F C 1.213 177.024 175.800 0.018 0.000 1.091 243 F CA -0.490 57.545 58.000 0.059 0.000 1.300 243 F CB -0.695 38.335 39.000 0.051 0.000 1.071 243 F HN -0.232 nan 8.300 nan 0.000 0.578 261 L N 1.640 122.833 121.223 -0.051 0.000 2.482 261 L HA 0.290 4.628 4.340 -0.003 0.000 0.273 261 L C -1.771 175.058 176.870 -0.067 0.000 1.228 261 L CA -1.498 53.290 54.840 -0.087 0.000 0.827 261 L CB -0.387 41.626 42.059 -0.076 0.000 1.099 261 L HN 0.242 nan 8.230 nan 0.000 0.494 262 P HA 0.039 nan 4.420 nan 0.000 0.266 262 P C -2.063 175.215 177.300 -0.036 0.000 1.195 262 P CA -0.922 62.138 63.100 -0.067 0.000 0.768 262 P CB 0.067 31.714 31.700 -0.090 0.000 0.838 263 P HA -0.197 nan 4.420 nan 0.000 0.216 263 P C 1.253 178.554 177.300 0.002 0.000 1.154 263 P CA 1.769 64.864 63.100 -0.009 0.000 0.865 263 P CB -0.114 31.578 31.700 -0.012 0.000 0.789 264 S N -1.918 113.780 115.700 -0.003 0.000 2.428 264 S HA -0.107 4.361 4.470 -0.003 0.000 0.230 264 S C 1.927 176.552 174.600 0.043 0.000 1.014 264 S CA 0.935 59.142 58.200 0.011 0.000 0.957 264 S CB -1.040 62.160 63.200 0.000 0.000 0.784 264 S HN 0.263 nan 8.310 nan 0.000 0.499 265 c N 0.985 119.608 118.600 0.038 0.000 2.466 265 c HA 0.007 4.575 4.570 -0.003 0.000 0.278 265 c C 2.802 177.032 174.090 0.233 0.000 1.288 265 c CA 0.548 56.950 56.329 0.122 0.000 1.722 265 c CB -1.113 41.357 42.510 -0.067 0.000 2.017 265 c HN 0.529 nan 8.230 nan 0.000 0.488 266 Q N 1.854 121.731 119.800 0.129 0.000 2.135 266 Q HA -0.112 4.226 4.340 -0.003 0.000 0.204 266 Q C 2.105 178.143 176.000 0.063 0.000 0.981 266 Q CA 2.258 58.132 55.803 0.118 0.000 0.856 266 Q CB -0.474 28.298 28.738 0.056 0.000 0.902 266 Q HN 0.617 nan 8.270 nan 0.000 0.425 267 A N -0.036 122.808 122.820 0.041 0.000 1.972 267 A HA -0.124 4.195 4.320 -0.003 0.000 0.219 267 A C 2.055 179.629 177.584 -0.016 0.000 1.169 267 A CA 1.344 53.382 52.037 0.001 0.000 0.635 267 A CB -0.697 18.306 19.000 0.004 0.000 0.810 267 A HN 0.467 nan 8.150 nan 0.000 0.446 268 L N -0.802 120.438 121.223 0.029 0.000 2.083 268 L HA -0.191 4.147 4.340 -0.003 0.000 0.209 268 L C 2.487 179.287 176.870 -0.116 0.000 1.083 268 L CA 1.026 55.857 54.840 -0.015 0.000 0.752 268 L CB -0.569 41.522 42.059 0.053 0.000 0.899 268 L HN 0.377 nan 8.230 nan 0.000 0.433 269 L N -0.674 120.484 121.223 -0.108 0.000 2.072 269 L HA -0.170 4.169 4.340 -0.003 0.000 0.205 269 L C 2.197 178.885 176.870 -0.304 0.000 1.079 269 L CA 0.938 55.664 54.840 -0.191 0.000 0.752 269 L CB -0.606 41.394 42.059 -0.099 0.000 0.906 269 L HN 0.229 nan 8.230 nan 0.000 0.436 270 D N 0.311 120.569 120.400 -0.237 0.000 2.178 270 D HA -0.164 4.475 4.640 -0.003 0.000 0.201 270 D C 1.658 177.684 176.300 -0.456 0.000 0.980 270 D CA 1.153 54.967 54.000 -0.309 0.000 0.842 270 D CB -0.052 40.664 40.800 -0.140 0.000 0.948 270 D HN 0.447 nan 8.370 nan 0.000 0.472 271 E N -0.382 119.640 120.200 -0.297 0.000 2.465 271 E HA 0.023 4.371 4.350 -0.003 0.000 0.191 271 E C -0.291 176.247 176.600 -0.104 0.000 1.053 271 E CA -0.085 56.213 56.400 -0.170 0.000 0.869 271 E CB 0.117 29.778 29.700 -0.064 0.000 0.977 271 E HN 0.277 nan 8.360 nan 0.000 0.483 272 H N -1.389 117.645 119.070 -0.059 0.000 2.886 272 H HA -0.112 4.442 4.556 -0.003 0.000 0.294 272 H C 0.492 175.762 175.328 -0.097 0.000 1.246 272 H CA 0.604 56.604 56.048 -0.079 0.000 1.142 272 H CB -1.928 27.798 29.762 -0.059 0.000 1.358 272 H HN 0.109 nan 8.280 nan 0.000 0.406 273 V N -0.213 119.665 119.914 -0.061 0.000 3.660 273 V HA 0.071 4.190 4.120 -0.003 0.000 0.276 273 V C 1.456 177.462 176.094 -0.145 0.000 1.317 273 V CA 0.587 62.842 62.300 -0.075 0.000 1.097 273 V CB 0.312 32.100 31.823 -0.058 0.000 0.863 273 V HN 0.177 nan 8.190 nan 0.000 0.438 274 I N 0.000 120.424 120.570 -0.243 0.000 2.984 274 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 274 I CA 0.000 61.074 61.300 -0.377 0.000 1.566 274 I CB 0.000 37.511 38.000 -0.815 0.000 1.214 274 I HN 0.000 nan 8.210 nan 0.000 0.494