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 2b9n_1_Z DATA FIRST_RESID 1 DATA SEQUENCE MELTAKPRTP KQKLDESMIA AVAYNKENNV SFALDRKAFD RAFRQQSTTG DATA SEQUENCE LFDITVEGGE TFPALVKAVQ MDKRKRAPIH VDFYMVTYGE PVEVSVPVHT DATA SEQUENCE TGRSQGEVQG GLVDIVVHNL QIVAPGPRRI PQELVVDVTK MNIGDHITAG DATA SEQUENCE DIKLPEGCTL AADPELTVVS VLPPRLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.319 176.300 0.031 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 E N 2.332 122.537 120.200 0.007 0.000 3.028 2 E HA -0.203 4.147 4.350 0.000 0.000 0.346 2 E C -0.805 175.797 176.600 0.003 0.000 1.360 2 E CA 1.466 57.870 56.400 0.008 0.000 1.303 2 E CB -0.816 28.896 29.700 0.021 0.000 1.682 2 E HN 0.823 nan 8.360 nan 0.000 0.509 3 L N 1.061 122.299 121.223 0.025 0.000 3.157 3 L HA -0.237 4.103 4.340 0.000 0.000 0.475 3 L C 0.697 177.566 176.870 -0.001 0.000 1.004 3 L CA 1.424 56.275 54.840 0.018 0.000 1.012 3 L CB -1.288 40.734 42.059 -0.062 0.000 0.428 3 L HN 0.853 nan 8.230 nan 0.000 0.752 4 T N 0.295 114.864 114.554 0.026 0.000 2.676 4 T HA 0.973 5.323 4.350 0.000 0.000 0.269 4 T C 0.099 174.825 174.700 0.044 0.000 0.952 4 T CA -0.166 61.948 62.100 0.023 0.000 1.040 4 T CB 2.237 71.120 68.868 0.025 0.000 1.352 4 T HN 2.378 nan 8.240 nan 0.000 0.554 5 A N 0.326 123.173 122.820 0.044 0.000 2.436 5 A HA 0.388 4.708 4.320 0.000 0.000 0.686 5 A C 0.212 177.829 177.584 0.055 0.000 0.139 5 A CA 0.315 52.393 52.037 0.068 0.000 0.025 5 A CB -1.523 17.546 19.000 0.115 0.000 3.974 5 A HN 2.265 nan 8.150 nan 0.000 0.548 6 K N -2.255 118.174 120.400 0.047 0.000 2.099 6 K HA 0.041 4.361 4.320 0.000 0.000 0.111 6 K C -2.359 174.193 176.600 -0.081 0.000 1.899 6 K CA 0.298 56.569 56.287 -0.027 0.000 0.965 6 K CB -0.793 31.689 32.500 -0.030 0.000 2.025 6 K HN 0.543 nan 8.250 nan 0.000 0.342 7 P HA -0.023 nan 4.420 nan 0.000 0.200 7 P C -0.526 176.726 177.300 -0.081 0.000 1.072 7 P CA 0.724 63.802 63.100 -0.037 0.000 0.721 7 P CB 0.319 32.027 31.700 0.014 0.000 0.730 8 R N -0.404 120.092 120.500 -0.007 0.000 3.124 8 R HA 0.314 4.654 4.340 0.000 0.000 0.212 8 R C -1.527 174.852 176.300 0.131 0.000 1.677 8 R CA -0.026 56.082 56.100 0.014 0.000 1.186 8 R CB -0.351 29.941 30.300 -0.014 0.000 1.571 8 R HN 0.403 nan 8.270 nan 0.000 0.583 9 T N -0.190 114.528 114.554 0.273 0.000 3.505 9 T HA 0.262 4.612 4.350 0.000 0.000 0.308 9 T C -2.634 172.224 174.700 0.263 0.000 0.767 9 T CA -0.921 61.314 62.100 0.224 0.000 1.194 9 T CB 1.556 70.506 68.868 0.136 0.000 0.997 9 T HN 0.162 nan 8.240 nan 0.000 0.504 10 P HA 0.077 nan 4.420 nan 0.000 0.215 10 P C 1.436 178.742 177.300 0.010 0.000 1.144 10 P CA 0.633 63.731 63.100 -0.003 0.000 0.874 10 P CB 0.411 32.092 31.700 -0.032 0.000 0.796 11 K N 0.793 121.223 120.400 0.050 0.000 1.975 11 K HA -0.214 4.106 4.320 0.000 0.000 0.225 11 K C 2.321 178.931 176.600 0.017 0.000 1.050 11 K CA 1.367 57.677 56.287 0.038 0.000 0.992 11 K CB -1.400 31.124 32.500 0.040 0.000 0.738 11 K HN 0.049 nan 8.250 nan 0.000 0.446 12 Q N 1.116 120.929 119.800 0.021 0.000 2.045 12 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 12 Q C 2.382 178.380 176.000 -0.004 0.000 0.991 12 Q CA 1.955 57.763 55.803 0.009 0.000 0.851 12 Q CB -0.228 28.520 28.738 0.017 0.000 0.911 12 Q HN 0.379 nan 8.270 nan 0.000 0.418 13 K N 1.048 121.454 120.400 0.010 0.000 1.980 13 K HA -0.191 4.129 4.320 0.000 0.000 0.223 13 K C 1.833 178.399 176.600 -0.057 0.000 1.052 13 K CA 1.470 57.755 56.287 -0.002 0.000 0.974 13 K CB -0.555 31.967 32.500 0.036 0.000 0.734 13 K HN 0.205 nan 8.250 nan 0.000 0.447 14 L N 1.137 122.307 121.223 -0.088 0.000 2.886 14 L HA -0.186 4.154 4.340 0.000 0.000 0.248 14 L C -0.295 176.506 176.870 -0.115 0.000 1.197 14 L CA 0.614 55.364 54.840 -0.151 0.000 0.848 14 L CB -0.375 41.645 42.059 -0.065 0.000 1.020 14 L HN 0.372 nan 8.230 nan 0.000 0.464 15 D N -1.578 118.773 120.400 -0.083 0.000 2.756 15 D HA 0.275 4.915 4.640 0.000 0.000 0.226 15 D C 0.158 176.414 176.300 -0.074 0.000 1.186 15 D CA -0.204 53.754 54.000 -0.070 0.000 0.845 15 D CB 1.464 42.242 40.800 -0.038 0.000 1.610 15 D HN -0.039 nan 8.370 nan 0.000 0.465 16 E N 1.295 121.447 120.200 -0.080 0.000 2.963 16 E HA -0.190 4.160 4.350 0.000 0.000 0.288 16 E C 0.258 176.791 176.600 -0.111 0.000 1.233 16 E CA 1.386 57.740 56.400 -0.077 0.000 1.487 16 E CB -1.923 27.743 29.700 -0.056 0.000 1.776 16 E HN 0.371 nan 8.360 nan 0.000 0.529 17 S N -0.219 115.411 115.700 -0.117 0.000 2.687 17 S HA 0.402 4.872 4.470 0.000 0.000 0.247 17 S C 0.349 174.823 174.600 -0.210 0.000 1.050 17 S CA 0.330 58.435 58.200 -0.158 0.000 1.063 17 S CB 0.372 63.508 63.200 -0.107 0.000 1.039 17 S HN 0.246 nan 8.310 nan 0.000 0.580 18 M N 2.438 121.947 119.600 -0.151 0.000 2.125 18 M HA 0.512 4.992 4.480 0.000 0.000 0.321 18 M C -1.948 174.295 176.300 -0.094 0.000 0.983 18 M CA -0.723 54.520 55.300 -0.095 0.000 0.934 18 M CB 0.931 33.539 32.600 0.013 0.000 1.542 18 M HN 0.064 nan 8.290 nan 0.000 0.424 19 I N 3.934 124.455 120.570 -0.082 0.000 2.392 19 I HA 0.490 4.660 4.170 0.000 0.000 0.295 19 I C 0.572 176.863 176.117 0.290 0.000 0.985 19 I CA -0.295 61.038 61.300 0.055 0.000 1.221 19 I CB 1.589 39.614 38.000 0.041 0.000 1.366 19 I HN 0.771 nan 8.210 nan 0.000 0.467 20 A N 4.682 127.497 122.820 -0.009 0.000 2.521 20 A HA 0.625 4.945 4.320 0.000 0.000 0.237 20 A C 0.121 177.776 177.584 0.118 0.000 1.087 20 A CA 0.491 52.489 52.037 -0.066 0.000 0.777 20 A CB -0.045 18.716 19.000 -0.399 0.000 1.035 20 A HN 1.462 nan 8.150 nan 0.000 0.510 21 A N 0.829 123.766 122.820 0.195 0.000 1.957 21 A HA 0.475 4.795 4.320 0.000 0.000 0.286 21 A C -0.560 177.186 177.584 0.270 0.000 0.993 21 A CA -0.429 51.741 52.037 0.222 0.000 0.961 21 A CB -0.504 18.468 19.000 -0.047 0.000 1.207 21 A HN 1.522 nan 8.150 nan 0.000 0.340 22 V N 1.072 121.210 119.914 0.374 0.000 2.999 22 V HA 0.372 4.492 4.120 0.000 0.000 0.307 22 V C 1.339 177.595 176.094 0.270 0.000 1.084 22 V CA 0.643 63.132 62.300 0.315 0.000 1.155 22 V CB 1.365 33.371 31.823 0.306 0.000 0.975 22 V HN 1.662 nan 8.190 nan 0.000 0.490 23 A N 4.422 127.340 122.820 0.164 0.000 2.923 23 A HA 0.372 4.692 4.320 0.000 0.000 0.306 23 A C -0.466 177.222 177.584 0.173 0.000 1.542 23 A CA -0.264 51.859 52.037 0.144 0.000 1.225 23 A CB -0.702 18.329 19.000 0.053 0.000 1.147 23 A HN 0.799 nan 8.150 nan 0.000 0.542 24 Y N 2.689 123.089 120.300 0.167 0.000 2.313 24 Y HA 0.450 5.000 4.550 -0.000 0.000 0.332 24 Y C 0.130 176.081 175.900 0.086 0.000 1.071 24 Y CA -0.243 57.984 58.100 0.213 0.000 1.169 24 Y CB 0.718 39.372 38.460 0.323 0.000 1.192 24 Y HN 0.707 nan 8.280 nan 0.000 0.487 25 N N 4.170 123.127 118.700 0.429 0.000 2.504 25 N HA 0.070 4.810 4.740 0.000 0.000 0.268 25 N C -1.795 173.868 175.510 0.254 0.000 1.184 25 N CA -0.903 51.956 53.050 -0.318 0.000 0.875 25 N CB 1.605 39.861 38.487 -0.385 0.000 1.630 25 N HN 0.654 nan 8.380 nan 0.000 0.486 26 K N 2.108 122.658 120.400 0.251 0.000 2.264 26 K HA -0.118 4.202 4.320 0.000 0.000 0.262 26 K C -0.599 176.033 176.600 0.054 0.000 1.247 26 K CA 1.516 57.982 56.287 0.299 0.000 1.248 26 K CB -0.402 32.160 32.500 0.104 0.000 0.825 26 K HN 0.765 nan 8.250 nan 0.000 0.468 27 E N 0.776 121.021 120.200 0.076 0.000 3.803 27 E HA -0.164 4.186 4.350 0.000 0.000 0.242 27 E C -0.833 175.749 176.600 -0.031 0.000 0.590 27 E CA 0.833 57.231 56.400 -0.002 0.000 2.498 27 E CB -0.966 28.711 29.700 -0.039 0.000 1.609 27 E HN 0.854 nan 8.360 nan 0.000 0.670 28 N N 1.060 119.735 118.700 -0.043 0.000 2.331 28 N HA 0.501 5.241 4.740 0.000 0.000 0.280 28 N C -1.288 174.159 175.510 -0.105 0.000 1.155 28 N CA -0.706 52.300 53.050 -0.073 0.000 0.822 28 N CB 1.249 39.701 38.487 -0.059 0.000 1.619 28 N HN -0.047 nan 8.380 nan 0.000 0.476 29 N N -0.697 117.926 118.700 -0.128 0.000 2.577 29 N HA 0.756 5.496 4.740 0.000 0.000 0.285 29 N C -1.362 174.094 175.510 -0.090 0.000 1.309 29 N CA -0.487 52.483 53.050 -0.133 0.000 0.798 29 N CB 2.094 40.448 38.487 -0.220 0.000 1.463 29 N HN 0.403 nan 8.380 nan 0.000 0.518 30 V N -0.093 119.775 119.914 -0.076 0.000 2.739 30 V HA 0.224 4.344 4.120 0.000 0.000 0.293 30 V C 0.030 176.059 176.094 -0.109 0.000 1.199 30 V CA -1.065 61.186 62.300 -0.082 0.000 0.931 30 V CB 1.369 33.162 31.823 -0.051 0.000 1.052 30 V HN 0.856 nan 8.190 nan 0.000 0.441 31 S N 3.764 119.345 115.700 -0.198 0.000 2.904 31 S HA -0.131 4.339 4.470 0.000 0.000 0.353 31 S C -0.083 174.375 174.600 -0.236 0.000 1.213 31 S CA 0.646 58.622 58.200 -0.373 0.000 0.972 31 S CB -0.170 62.852 63.200 -0.298 0.000 0.625 31 S HN 1.084 nan 8.310 nan 0.000 0.429 32 F N 2.339 122.315 119.950 0.043 0.000 2.427 32 F HA 0.724 5.251 4.527 -0.000 0.000 0.352 32 F C 0.578 176.397 175.800 0.032 0.000 1.100 32 F CA -0.656 57.374 58.000 0.051 0.000 1.191 32 F CB -0.114 38.941 39.000 0.091 0.000 1.128 32 F HN 0.679 nan 8.300 nan 0.000 0.533 33 A N 3.060 126.002 122.820 0.204 0.000 3.969 33 A HA 0.946 5.266 4.320 0.000 0.000 0.168 33 A C 0.092 177.709 177.584 0.056 0.000 0.806 33 A CA -0.116 51.991 52.037 0.116 0.000 0.871 33 A CB 0.176 19.199 19.000 0.038 0.000 1.498 33 A HN 1.571 nan 8.150 nan 0.000 0.779 34 L N -4.054 117.168 121.223 -0.002 0.000 7.320 34 L HA 0.103 4.443 4.340 0.000 0.000 0.053 34 L C -0.625 176.418 176.870 0.288 0.000 2.293 34 L CA 1.081 55.883 54.840 -0.063 0.000 1.239 34 L CB -1.797 39.998 42.059 -0.439 0.000 3.097 34 L HN 1.824 nan 8.230 nan 0.000 1.221 35 D N -0.297 120.655 120.400 0.920 0.000 3.109 35 D HA 0.085 4.725 4.640 0.000 0.000 0.266 35 D C -1.232 174.304 176.300 -1.273 0.000 0.926 35 D CA 0.028 54.378 54.000 0.584 0.000 0.838 35 D CB 0.444 41.423 40.800 0.299 0.000 3.234 35 D HN 0.768 nan 8.370 nan 0.000 0.507 36 R N 2.490 122.265 120.500 -1.208 0.000 4.138 36 R HA 0.355 4.695 4.340 0.000 0.000 0.206 36 R C 0.658 176.493 176.300 -0.775 0.000 1.667 36 R CA -0.208 55.016 56.100 -1.461 0.000 1.481 36 R CB 0.404 30.262 30.300 -0.736 0.000 1.388 36 R HN 0.374 nan 8.270 nan 0.000 0.776 37 K N -0.290 119.723 120.400 -0.644 0.000 2.256 37 K HA 0.131 4.451 4.320 0.000 0.000 0.130 37 K C 1.099 177.671 176.600 -0.047 0.000 2.157 37 K CA 0.755 56.897 56.287 -0.241 0.000 1.240 37 K CB -0.522 31.890 32.500 -0.146 0.000 2.378 37 K HN 0.178 nan 8.250 nan 0.000 0.491 38 A N 1.013 123.920 122.820 0.145 0.000 1.835 38 A HA 0.093 4.413 4.320 0.000 0.000 0.213 38 A C 1.662 179.465 177.584 0.365 0.000 1.210 38 A CA 1.612 53.835 52.037 0.310 0.000 0.605 38 A CB -1.110 18.114 19.000 0.372 0.000 0.860 38 A HN 0.297 nan 8.150 nan 0.000 0.447 39 F N 1.362 121.100 119.950 -0.352 0.000 2.065 39 F HA -0.431 4.096 4.527 0.000 0.000 0.286 39 F C 1.844 177.006 175.800 -1.063 0.000 1.072 39 F CA 1.089 57.678 58.000 -2.351 0.000 1.288 39 F CB -1.540 36.325 39.000 -1.893 0.000 0.963 39 F HN 0.305 nan 8.300 nan 0.000 0.496 40 D N 0.451 120.719 120.400 -0.220 0.000 1.440 40 D HA -0.168 4.472 4.640 0.000 0.000 0.325 40 D C 1.509 177.905 176.300 0.159 0.000 1.491 40 D CA 1.114 55.095 54.000 -0.031 0.000 1.210 40 D CB -0.814 39.956 40.800 -0.049 0.000 2.353 40 D HN 0.023 nan 8.370 nan 0.000 0.734 41 R N 0.537 121.116 120.500 0.132 0.000 2.562 41 R HA -0.294 4.046 4.340 0.000 0.000 0.226 41 R C 2.102 178.556 176.300 0.257 0.000 0.907 41 R CA 2.458 58.658 56.100 0.167 0.000 0.366 41 R CB -1.757 28.636 30.300 0.155 0.000 0.654 41 R HN 0.446 nan 8.270 nan 0.000 0.255 42 A N -0.080 122.939 122.820 0.333 0.000 1.877 42 A HA -0.297 4.023 4.320 0.000 0.000 0.218 42 A C 2.180 179.979 177.584 0.359 0.000 1.301 42 A CA 2.586 54.835 52.037 0.354 0.000 0.699 42 A CB -1.392 17.840 19.000 0.387 0.000 0.844 42 A HN 0.452 nan 8.150 nan 0.000 0.464 43 F N -0.278 119.764 119.950 0.154 0.000 2.060 43 F HA -0.404 4.123 4.527 0.000 0.000 0.293 43 F C 2.677 178.531 175.800 0.089 0.000 1.096 43 F CA 1.959 60.035 58.000 0.126 0.000 1.241 43 F CB -0.511 38.589 39.000 0.166 0.000 0.959 43 F HN 0.213 nan 8.300 nan 0.000 0.499 44 R N 0.258 120.955 120.500 0.327 0.000 2.153 44 R HA -0.245 4.096 4.340 0.000 0.000 0.252 44 R C 1.922 178.300 176.300 0.130 0.000 1.158 44 R CA 1.774 57.983 56.100 0.183 0.000 0.975 44 R CB -0.945 29.442 30.300 0.144 0.000 0.871 44 R HN 0.398 nan 8.270 nan 0.000 0.450 45 Q N 0.399 120.278 119.800 0.132 0.000 1.921 45 Q HA -0.159 4.181 4.340 0.000 0.000 0.208 45 Q C 0.576 176.597 176.000 0.035 0.000 0.994 45 Q CA 1.984 57.832 55.803 0.076 0.000 0.857 45 Q CB 0.005 28.789 28.738 0.076 0.000 0.925 45 Q HN 0.649 nan 8.270 nan 0.000 0.421 46 Q N -2.435 117.371 119.800 0.011 0.000 3.661 46 Q HA 0.274 4.614 4.340 0.000 0.000 0.150 46 Q C -0.759 175.199 176.000 -0.070 0.000 0.645 46 Q CA -0.131 55.657 55.803 -0.024 0.000 0.955 46 Q CB -0.617 28.093 28.738 -0.048 0.000 1.530 46 Q HN -0.006 nan 8.270 nan 0.000 0.381 47 S N 0.779 116.434 115.700 -0.075 0.000 3.423 47 S HA -0.157 4.313 4.470 0.000 0.000 0.274 47 S C 0.697 175.208 174.600 -0.149 0.000 1.575 47 S CA 1.124 59.222 58.200 -0.169 0.000 1.178 47 S CB -0.103 62.993 63.200 -0.172 0.000 0.735 47 S HN 0.621 nan 8.310 nan 0.000 0.442 48 T N 1.836 116.280 114.554 -0.184 0.000 2.466 48 T HA -0.103 4.247 4.350 0.000 0.000 0.419 48 T C 1.127 175.763 174.700 -0.106 0.000 0.885 48 T CA 1.261 63.272 62.100 -0.148 0.000 3.945 48 T CB -1.595 67.186 68.868 -0.146 0.000 0.543 48 T HN 0.830 nan 8.240 nan 0.000 0.197 49 T N -3.788 110.701 114.554 -0.109 0.000 3.131 49 T HA 0.455 4.805 4.350 0.000 0.000 0.283 49 T C 1.319 175.955 174.700 -0.107 0.000 0.906 49 T CA 0.114 62.163 62.100 -0.085 0.000 0.882 49 T CB 0.864 69.695 68.868 -0.060 0.000 1.208 49 T HN 0.468 nan 8.240 nan 0.000 0.561 50 G N 0.971 109.680 108.800 -0.152 0.000 2.683 50 G HA2 0.638 4.598 3.960 0.000 0.000 0.149 50 G HA3 0.638 4.598 3.960 0.000 0.000 0.149 50 G C -0.673 174.087 174.900 -0.233 0.000 1.467 50 G CA 0.208 45.186 45.100 -0.203 0.000 0.806 50 G HN 0.826 nan 8.290 nan 0.000 0.709 51 L N -1.269 119.752 121.223 -0.337 0.000 5.464 51 L HA 0.157 4.497 4.340 0.000 0.000 0.236 51 L C -1.448 175.223 176.870 -0.331 0.000 1.076 51 L CA -0.592 54.103 54.840 -0.242 0.000 0.721 51 L CB -0.141 41.853 42.059 -0.108 0.000 1.324 51 L HN 0.417 nan 8.230 nan 0.000 0.134 52 F N 1.749 121.707 119.950 0.013 0.000 2.112 52 F HA 0.687 5.214 4.527 -0.000 0.000 0.219 52 F C -0.095 175.731 175.800 0.043 0.000 1.309 52 F CA 0.631 58.646 58.000 0.025 0.000 1.157 52 F CB -0.154 38.860 39.000 0.024 0.000 2.071 52 F HN 0.743 nan 8.300 nan 0.000 0.120 53 D N -1.285 119.294 120.400 0.298 0.000 3.302 53 D HA 0.390 5.030 4.640 0.000 0.000 0.302 53 D C -2.077 174.270 176.300 0.078 0.000 1.026 53 D CA -0.348 53.751 54.000 0.165 0.000 0.712 53 D CB 0.316 41.200 40.800 0.140 0.000 1.610 53 D HN 0.133 nan 8.370 nan 0.000 0.502 54 I N 0.477 121.075 120.570 0.046 0.000 2.957 54 I HA 0.465 4.635 4.170 0.000 0.000 0.310 54 I C 0.173 176.286 176.117 -0.006 0.000 1.063 54 I CA -0.354 60.950 61.300 0.007 0.000 1.033 54 I CB 2.203 40.202 38.000 -0.001 0.000 1.230 54 I HN 0.378 nan 8.210 nan 0.000 0.447 55 T N 3.683 118.226 114.554 -0.018 0.000 3.016 55 T HA 0.355 4.705 4.350 0.000 0.000 0.335 55 T C -0.436 174.257 174.700 -0.012 0.000 1.176 55 T CA -0.250 61.838 62.100 -0.021 0.000 0.987 55 T CB -0.166 68.683 68.868 -0.032 0.000 1.073 55 T HN 0.195 nan 8.240 nan 0.000 0.547 56 V N 4.936 124.846 119.914 -0.007 0.000 2.304 56 V HA 0.250 4.370 4.120 0.000 0.000 0.269 56 V C 0.432 176.526 176.094 -0.001 0.000 1.036 56 V CA -0.608 61.690 62.300 -0.003 0.000 0.840 56 V CB 0.105 31.926 31.823 -0.003 0.000 1.036 56 V HN 0.851 nan 8.190 nan 0.000 0.466 57 E N 3.267 123.465 120.200 -0.003 0.000 2.694 57 E HA -0.262 4.088 4.350 0.000 0.000 0.272 57 E C 1.466 178.063 176.600 -0.005 0.000 1.040 57 E CA 0.892 57.291 56.400 -0.003 0.000 0.809 57 E CB -1.675 28.026 29.700 0.001 0.000 1.389 57 E HN 1.387 nan 8.360 nan 0.000 0.413 58 G N -0.648 108.145 108.800 -0.012 0.000 2.335 58 G HA2 -0.451 3.509 3.960 0.000 0.000 0.264 58 G HA3 -0.451 3.509 3.960 0.000 0.000 0.264 58 G C 1.423 176.316 174.900 -0.013 0.000 0.990 58 G CA 1.875 46.963 45.100 -0.020 0.000 0.647 58 G HN 1.078 nan 8.290 nan 0.000 0.561 59 G N 0.485 109.287 108.800 0.003 0.000 3.665 59 G HA2 -0.182 3.778 3.960 0.000 0.000 0.251 59 G HA3 -0.182 3.778 3.960 0.000 0.000 0.251 59 G C 0.474 175.398 174.900 0.039 0.000 0.940 59 G CA 1.379 46.492 45.100 0.022 0.000 0.741 59 G HN 0.985 nan 8.290 nan 0.000 1.302 60 E N 0.275 120.516 120.200 0.068 0.000 2.518 60 E HA 0.381 4.731 4.350 0.000 0.000 0.240 60 E C -0.524 176.108 176.600 0.053 0.000 0.996 60 E CA -0.122 56.361 56.400 0.139 0.000 0.768 60 E CB 1.103 31.010 29.700 0.344 0.000 1.329 60 E HN 0.397 nan 8.360 nan 0.000 0.408 61 T N 0.324 114.768 114.554 -0.183 0.000 3.162 61 T HA 0.263 4.613 4.350 0.000 0.000 0.264 61 T C -0.269 174.185 174.700 -0.409 0.000 0.959 61 T CA -0.006 61.963 62.100 -0.218 0.000 1.118 61 T CB -0.841 67.898 68.868 -0.214 0.000 0.979 61 T HN 0.171 nan 8.240 nan 0.000 0.679 62 F N 3.478 123.443 119.950 0.024 0.000 2.611 62 F HA 0.680 5.207 4.527 -0.000 0.000 0.324 62 F C -2.271 173.557 175.800 0.047 0.000 1.061 62 F CA -2.574 55.443 58.000 0.029 0.000 0.954 62 F CB 2.641 41.646 39.000 0.009 0.000 1.301 62 F HN 0.267 nan 8.300 nan 0.000 0.482 63 P HA 0.683 nan 4.420 nan 0.000 0.307 63 P C -0.716 176.661 177.300 0.129 0.000 1.307 63 P CA 0.141 63.351 63.100 0.184 0.000 0.814 63 P CB 2.581 34.377 31.700 0.160 0.000 1.311 64 A N -2.161 120.708 122.820 0.081 0.000 3.327 64 A HA -0.153 4.167 4.320 0.000 0.000 0.201 64 A C 0.980 178.568 177.584 0.007 0.000 0.692 64 A CA 0.532 52.600 52.037 0.051 0.000 2.178 64 A CB -2.250 16.784 19.000 0.057 0.000 0.643 64 A HN 0.498 nan 8.150 nan 0.000 0.600 65 L N -2.573 118.680 121.223 0.050 0.000 5.352 65 L HA -0.320 4.020 4.340 0.000 0.000 0.053 65 L C 1.047 177.655 176.870 -0.435 0.000 2.872 65 L CA 1.821 56.643 54.840 -0.030 0.000 1.575 65 L CB -1.381 40.619 42.059 -0.099 0.000 2.871 65 L HN 1.292 nan 8.230 nan 0.000 0.934 66 V N 0.418 119.921 119.914 -0.684 0.000 2.472 66 V HA 0.418 4.538 4.120 0.000 0.000 0.290 66 V C 0.407 176.275 176.094 -0.376 0.000 1.037 66 V CA 0.198 62.035 62.300 -0.771 0.000 0.908 66 V CB 1.567 32.860 31.823 -0.883 0.000 0.985 66 V HN 0.574 nan 8.190 nan 0.000 0.454 67 K N 4.717 124.936 120.400 -0.302 0.000 2.506 67 K HA 0.776 5.096 4.320 0.000 0.000 0.204 67 K C -0.435 176.048 176.600 -0.195 0.000 1.045 67 K CA 0.579 56.726 56.287 -0.233 0.000 1.074 67 K CB 0.614 32.951 32.500 -0.270 0.000 0.842 67 K HN 1.055 nan 8.250 nan 0.000 0.514 68 A N -1.313 121.401 122.820 -0.178 0.000 2.452 68 A HA 0.677 4.997 4.320 0.000 0.000 0.294 68 A C -1.278 176.274 177.584 -0.053 0.000 1.010 68 A CA -0.164 51.815 52.037 -0.097 0.000 0.613 68 A CB 0.531 19.489 19.000 -0.070 0.000 1.363 68 A HN 0.242 nan 8.150 nan 0.000 0.463 69 V N -1.400 118.522 119.914 0.014 0.000 2.907 69 V HA 0.444 4.564 4.120 0.000 0.000 0.299 69 V C -2.155 173.989 176.094 0.084 0.000 2.001 69 V CA -0.280 62.067 62.300 0.079 0.000 0.891 69 V CB 0.863 32.749 31.823 0.104 0.000 1.208 69 V HN 2.297 nan 8.190 nan 0.000 0.369 70 Q N -0.096 119.775 119.800 0.118 0.000 2.872 70 Q HA 0.347 4.687 4.340 0.000 0.000 0.221 70 Q C -0.963 175.103 176.000 0.110 0.000 0.998 70 Q CA -0.484 55.378 55.803 0.099 0.000 1.078 70 Q CB 0.893 29.680 28.738 0.080 0.000 1.890 70 Q HN 0.817 nan 8.270 nan 0.000 0.512 71 M N 2.155 121.809 119.600 0.090 0.000 2.682 71 M HA -0.052 4.428 4.480 0.000 0.000 0.235 71 M C 0.379 176.713 176.300 0.057 0.000 1.114 71 M CA 0.855 56.198 55.300 0.071 0.000 1.053 71 M CB -0.225 32.410 32.600 0.059 0.000 1.599 71 M HN 0.773 nan 8.290 nan 0.000 0.520 72 D N 0.825 121.264 120.400 0.065 0.000 1.984 72 D HA -0.289 4.351 4.640 0.000 0.000 0.626 72 D C 0.333 176.660 176.300 0.045 0.000 0.610 72 D CA 1.347 55.381 54.000 0.057 0.000 1.641 72 D CB -0.938 39.907 40.800 0.075 0.000 0.347 72 D HN 0.077 nan 8.370 nan 0.000 0.194 73 K N 1.118 121.548 120.400 0.050 0.000 2.328 73 K HA -0.234 4.086 4.320 0.000 0.000 0.237 73 K C 1.634 178.248 176.600 0.025 0.000 1.157 73 K CA 1.497 57.806 56.287 0.036 0.000 1.138 73 K CB -0.113 32.404 32.500 0.030 0.000 0.646 73 K HN 0.542 nan 8.250 nan 0.000 0.399 74 R N 2.451 122.961 120.500 0.018 0.000 2.078 74 R HA -0.137 4.203 4.340 0.000 0.000 0.224 74 R C 1.997 178.303 176.300 0.010 0.000 1.149 74 R CA 2.055 58.162 56.100 0.013 0.000 0.916 74 R CB -0.791 29.515 30.300 0.010 0.000 0.821 74 R HN 0.774 nan 8.270 nan 0.000 0.434 75 K N 0.358 120.762 120.400 0.006 0.000 2.265 75 K HA -0.279 4.041 4.320 0.000 0.000 0.210 75 K C 0.066 176.668 176.600 0.002 0.000 1.036 75 K CA 1.952 58.239 56.287 0.001 0.000 0.934 75 K CB -0.490 32.007 32.500 -0.005 0.000 0.765 75 K HN 0.173 nan 8.250 nan 0.000 0.485 76 R N -0.740 119.764 120.500 0.007 0.000 3.328 76 R HA -0.075 4.265 4.340 0.000 0.000 0.287 76 R C -0.990 175.313 176.300 0.006 0.000 1.126 76 R CA 0.905 57.012 56.100 0.012 0.000 0.764 76 R CB -2.519 27.788 30.300 0.011 0.000 1.380 76 R HN 0.594 nan 8.270 nan 0.000 0.428 77 A N 0.955 123.774 122.820 -0.001 0.000 2.605 77 A HA 0.619 4.939 4.320 0.000 0.000 0.293 77 A C -2.146 175.428 177.584 -0.017 0.000 1.216 77 A CA -1.335 50.691 52.037 -0.019 0.000 0.742 77 A CB 1.353 20.328 19.000 -0.042 0.000 1.170 77 A HN -0.095 nan 8.150 nan 0.000 0.443 78 P HA 0.208 nan 4.420 nan 0.000 0.271 78 P C -0.390 176.907 177.300 -0.005 0.000 1.212 78 P CA 0.501 63.628 63.100 0.044 0.000 0.788 78 P CB 0.549 32.311 31.700 0.102 0.000 0.865 79 I N 1.041 121.614 120.570 0.006 0.000 2.693 79 I HA 0.115 4.285 4.170 0.000 0.000 0.271 79 I C -1.018 174.930 176.117 -0.280 0.000 1.408 79 I CA -0.428 60.739 61.300 -0.222 0.000 1.179 79 I CB 0.434 38.247 38.000 -0.312 0.000 1.497 79 I HN 0.620 nan 8.210 nan 0.000 0.434 80 H N 2.598 121.720 119.070 0.086 0.000 3.864 80 H HA 0.004 4.560 4.556 -0.000 0.000 0.397 80 H C -1.107 174.300 175.328 0.133 0.000 1.391 80 H CA -0.342 55.739 56.048 0.054 0.000 1.592 80 H CB -0.836 28.932 29.762 0.009 0.000 1.506 80 H HN 0.209 nan 8.280 nan 0.000 0.494 81 V N 0.735 120.813 119.914 0.274 0.000 3.211 81 V HA 0.466 4.586 4.120 0.000 0.000 0.319 81 V C 0.525 176.823 176.094 0.341 0.000 1.096 81 V CA -0.388 62.098 62.300 0.311 0.000 1.029 81 V CB 2.094 34.177 31.823 0.434 0.000 1.137 81 V HN 0.586 nan 8.190 nan 0.000 0.453 82 D N -0.194 120.367 120.400 0.268 0.000 2.362 82 D HA 0.616 5.256 4.640 0.000 0.000 0.247 82 D C -1.606 174.790 176.300 0.160 0.000 1.050 82 D CA -0.081 54.069 54.000 0.250 0.000 0.839 82 D CB 1.316 42.185 40.800 0.115 0.000 1.283 82 D HN 0.245 nan 8.370 nan 0.000 0.477 83 F N 2.926 122.978 119.950 0.171 0.000 2.562 83 F HA 0.387 4.914 4.527 0.000 0.000 0.319 83 F C -1.331 174.613 175.800 0.240 0.000 1.154 83 F CA -0.828 57.253 58.000 0.135 0.000 0.931 83 F CB 1.585 40.633 39.000 0.079 0.000 1.198 83 F HN 0.238 nan 8.300 nan 0.000 0.444 84 Y N 4.855 125.210 120.300 0.091 0.000 2.433 84 Y HA 0.657 5.207 4.550 -0.000 0.000 0.337 84 Y C -0.889 175.029 175.900 0.030 0.000 1.026 84 Y CA -1.000 57.134 58.100 0.058 0.000 1.037 84 Y CB 1.456 39.800 38.460 -0.194 0.000 1.245 84 Y HN 0.575 nan 8.280 nan 0.000 0.443 85 M N 3.599 122.992 119.600 -0.344 0.000 2.474 85 M HA 0.710 5.190 4.480 0.000 0.000 0.238 85 M C -1.100 175.022 176.300 -0.298 0.000 1.111 85 M CA -1.091 54.091 55.300 -0.197 0.000 1.025 85 M CB 1.205 33.743 32.600 -0.104 0.000 1.348 85 M HN 0.384 nan 8.290 nan 0.000 0.579 86 V N 0.255 120.072 119.914 -0.162 0.000 3.266 86 V HA 0.048 4.168 4.120 0.000 0.000 0.246 86 V C 0.154 176.208 176.094 -0.066 0.000 0.914 86 V CA -0.553 61.682 62.300 -0.108 0.000 1.015 86 V CB 0.791 32.638 31.823 0.040 0.000 0.975 86 V HN 1.006 nan 8.190 nan 0.000 0.512 87 T N -0.898 113.497 114.554 -0.264 0.000 3.278 87 T HA 0.318 4.668 4.350 0.000 0.000 0.251 87 T C 0.026 174.796 174.700 0.117 0.000 1.039 87 T CA 0.302 62.255 62.100 -0.244 0.000 0.935 87 T CB -0.264 67.900 68.868 -1.172 0.000 1.034 87 T HN 0.311 nan 8.240 nan 0.000 0.575 88 Y N 0.151 120.398 120.300 -0.090 0.000 2.568 88 Y HA 0.643 5.193 4.550 0.000 0.000 0.327 88 Y C 1.219 177.118 175.900 -0.002 0.000 1.163 88 Y CA -1.548 56.528 58.100 -0.039 0.000 1.219 88 Y CB 1.587 40.026 38.460 -0.034 0.000 1.308 88 Y HN 0.117 nan 8.280 nan 0.000 0.503 89 G N 0.480 109.293 108.800 0.023 0.000 3.782 89 G HA2 0.191 4.151 3.960 0.000 0.000 0.288 89 G HA3 0.191 4.151 3.960 0.000 0.000 0.288 89 G C 0.417 175.349 174.900 0.052 0.000 1.300 89 G CA -0.048 45.063 45.100 0.019 0.000 1.261 89 G HN 0.602 nan 8.290 nan 0.000 0.591 90 E N 0.105 120.379 120.200 0.124 0.000 2.514 90 E HA 0.184 4.534 4.350 0.000 0.000 0.215 90 E C -1.818 174.831 176.600 0.081 0.000 0.946 90 E CA -0.676 55.793 56.400 0.115 0.000 1.038 90 E CB 0.188 30.001 29.700 0.188 0.000 1.069 90 E HN 0.112 nan 8.360 nan 0.000 0.503 91 P HA -0.167 nan 4.420 nan 0.000 0.247 91 P C -0.202 177.116 177.300 0.029 0.000 1.115 91 P CA 0.564 63.697 63.100 0.056 0.000 0.799 91 P CB 0.729 32.460 31.700 0.052 0.000 0.721 92 V N 3.449 123.372 119.914 0.015 0.000 3.949 92 V HA 0.063 4.183 4.120 0.000 0.000 0.195 92 V C 1.146 177.227 176.094 -0.022 0.000 1.114 92 V CA -0.010 62.288 62.300 -0.003 0.000 1.384 92 V CB -1.036 30.783 31.823 -0.006 0.000 1.685 92 V HN 0.402 nan 8.190 nan 0.000 0.492 93 E N 1.478 121.655 120.200 -0.038 0.000 2.888 93 E HA -0.155 4.195 4.350 0.000 0.000 0.225 93 E C -1.017 175.552 176.600 -0.053 0.000 1.014 93 E CA -0.167 56.198 56.400 -0.058 0.000 0.875 93 E CB -0.459 29.188 29.700 -0.090 0.000 1.034 93 E HN 0.315 nan 8.360 nan 0.000 0.432 94 V N 3.228 123.117 119.914 -0.042 0.000 2.313 94 V HA 0.138 4.258 4.120 0.000 0.000 0.278 94 V C -0.183 175.884 176.094 -0.045 0.000 1.017 94 V CA -0.625 61.651 62.300 -0.040 0.000 0.823 94 V CB 1.740 33.548 31.823 -0.025 0.000 1.010 94 V HN 0.283 nan 8.190 nan 0.000 0.443 95 S N 4.455 120.123 115.700 -0.054 0.000 2.512 95 S HA 0.568 5.038 4.470 0.000 0.000 0.291 95 S C -0.200 174.372 174.600 -0.047 0.000 1.151 95 S CA -0.413 57.754 58.200 -0.055 0.000 1.120 95 S CB 1.073 64.234 63.200 -0.065 0.000 1.029 95 S HN 0.433 nan 8.310 nan 0.000 0.485 96 V N 5.159 125.052 119.914 -0.035 0.000 2.815 96 V HA 0.567 4.687 4.120 0.000 0.000 0.314 96 V C -1.986 174.106 176.094 -0.003 0.000 1.064 96 V CA -2.192 60.094 62.300 -0.024 0.000 0.952 96 V CB 1.892 33.700 31.823 -0.025 0.000 1.020 96 V HN 0.476 nan 8.190 nan 0.000 0.439 97 P HA 0.383 nan 4.420 nan 0.000 0.286 97 P C -1.286 176.075 177.300 0.101 0.000 1.293 97 P CA -0.194 62.950 63.100 0.073 0.000 0.770 97 P CB 1.009 32.787 31.700 0.131 0.000 1.206 98 V N -0.584 119.427 119.914 0.161 0.000 2.789 98 V HA 0.297 4.417 4.120 0.000 0.000 0.300 98 V C -0.931 175.258 176.094 0.159 0.000 1.184 98 V CA -0.477 61.911 62.300 0.147 0.000 0.930 98 V CB 1.373 33.239 31.823 0.071 0.000 1.041 98 V HN 0.594 nan 8.190 nan 0.000 0.430 99 H N 1.231 120.307 119.070 0.011 0.000 2.679 99 H HA 0.783 5.339 4.556 -0.000 0.000 0.367 99 H C 0.574 175.909 175.328 0.011 0.000 1.162 99 H CA 0.280 56.335 56.048 0.012 0.000 1.181 99 H CB 2.255 32.021 29.762 0.008 0.000 1.693 99 H HN 0.872 nan 8.280 nan 0.000 0.538 100 T N -1.699 112.897 114.554 0.071 0.000 3.753 100 T HA 0.341 4.691 4.350 0.000 0.000 0.299 100 T C 0.437 175.177 174.700 0.066 0.000 1.202 100 T CA 0.626 62.754 62.100 0.047 0.000 0.945 100 T CB 0.271 69.143 68.868 0.008 0.000 2.279 100 T HN 0.550 nan 8.240 nan 0.000 0.509 101 T N -1.716 112.863 114.554 0.042 0.000 3.719 101 T HA 0.497 4.847 4.350 0.000 0.000 0.285 101 T C 1.095 175.813 174.700 0.029 0.000 0.963 101 T CA 0.226 62.350 62.100 0.041 0.000 1.154 101 T CB 0.178 69.064 68.868 0.030 0.000 1.123 101 T HN 1.141 nan 8.240 nan 0.000 0.448 102 G N 1.390 110.202 108.800 0.019 0.000 3.288 102 G HA2 -0.010 3.950 3.960 0.000 0.000 0.219 102 G HA3 -0.010 3.950 3.960 0.000 0.000 0.219 102 G C -0.305 174.600 174.900 0.008 0.000 0.944 102 G CA -0.779 44.329 45.100 0.013 0.000 0.854 102 G HN 0.314 nan 8.290 nan 0.000 0.632 103 R N 1.870 122.375 120.500 0.008 0.000 3.058 103 R HA 0.120 4.460 4.340 0.000 0.000 0.231 103 R C 1.022 177.323 176.300 0.002 0.000 0.791 103 R CA 0.998 57.101 56.100 0.005 0.000 1.034 103 R CB -0.241 30.061 30.300 0.003 0.000 0.950 103 R HN 0.690 nan 8.270 nan 0.000 0.386 104 S N 2.181 117.882 115.700 0.001 0.000 2.448 104 S HA 0.284 4.754 4.470 0.000 0.000 0.279 104 S C 0.211 174.810 174.600 -0.003 0.000 1.195 104 S CA -0.668 57.532 58.200 -0.000 0.000 1.051 104 S CB 1.713 64.914 63.200 0.001 0.000 0.948 104 S HN 0.645 nan 8.310 nan 0.000 0.493 105 Q N 2.937 122.734 119.800 -0.005 0.000 2.360 105 Q HA 0.330 4.670 4.340 0.000 0.000 0.178 105 Q C 1.867 177.861 176.000 -0.009 0.000 0.673 105 Q CA 0.696 56.494 55.803 -0.008 0.000 0.896 105 Q CB -0.422 28.310 28.738 -0.011 0.000 1.234 105 Q HN 0.731 nan 8.270 nan 0.000 0.416 106 G N -0.244 108.551 108.800 -0.009 0.000 2.762 106 G HA2 0.054 4.014 3.960 0.000 0.000 0.209 106 G HA3 0.054 4.014 3.960 0.000 0.000 0.209 106 G C 0.655 175.553 174.900 -0.005 0.000 1.134 106 G CA 0.227 45.322 45.100 -0.009 0.000 0.781 106 G HN 0.143 nan 8.290 nan 0.000 0.528 107 E N 0.944 121.142 120.200 -0.003 0.000 2.110 107 E HA 0.064 4.414 4.350 0.000 0.000 0.220 107 E C 1.853 178.453 176.600 -0.000 0.000 0.893 107 E CA 0.074 56.474 56.400 -0.001 0.000 1.027 107 E CB -0.991 28.710 29.700 0.001 0.000 1.017 107 E HN -0.066 nan 8.360 nan 0.000 0.522 108 V N 1.487 121.401 119.914 0.001 0.000 3.253 108 V HA -0.142 3.978 4.120 0.000 0.000 0.273 108 V C 0.629 176.723 176.094 -0.000 0.000 1.221 108 V CA 1.424 63.725 62.300 0.001 0.000 1.249 108 V CB -1.649 30.175 31.823 0.002 0.000 1.011 108 V HN 0.321 nan 8.190 nan 0.000 0.486 109 Q N -1.162 118.637 119.800 -0.001 0.000 1.969 109 Q HA 0.102 4.442 4.340 0.000 0.000 0.177 109 Q C 1.805 177.803 176.000 -0.003 0.000 0.686 109 Q CA 0.535 56.337 55.803 -0.002 0.000 0.788 109 Q CB 0.389 29.125 28.738 -0.003 0.000 1.223 109 Q HN 0.570 nan 8.270 nan 0.000 0.391 110 G N -0.443 108.355 108.800 -0.003 0.000 3.159 110 G HA2 0.363 4.323 3.960 0.000 0.000 0.232 110 G HA3 0.363 4.323 3.960 0.000 0.000 0.232 110 G C 1.000 175.899 174.900 -0.002 0.000 1.116 110 G CA 0.609 45.706 45.100 -0.004 0.000 0.767 110 G HN 0.427 nan 8.290 nan 0.000 0.547 111 G N 0.479 109.279 108.800 -0.001 0.000 2.542 111 G HA2 -0.382 3.578 3.960 0.000 0.000 0.251 111 G HA3 -0.382 3.578 3.960 0.000 0.000 0.251 111 G C 0.798 175.699 174.900 0.001 0.000 1.016 111 G CA 0.756 45.856 45.100 0.000 0.000 0.646 111 G HN 0.750 nan 8.290 nan 0.000 0.553 112 L N 0.268 121.491 121.223 0.000 0.000 2.510 112 L HA 0.281 4.621 4.340 0.000 0.000 0.300 112 L C 1.156 178.027 176.870 0.002 0.000 1.283 112 L CA 0.914 55.755 54.840 0.001 0.000 0.834 112 L CB 0.405 42.463 42.059 -0.001 0.000 1.085 112 L HN 0.231 nan 8.230 nan 0.000 0.545 113 V N -0.191 119.726 119.914 0.005 0.000 4.306 113 V HA 0.556 4.676 4.120 0.000 0.000 0.303 113 V C -1.584 174.515 176.094 0.008 0.000 1.454 113 V CA -0.338 61.965 62.300 0.004 0.000 0.910 113 V CB 2.023 33.849 31.823 0.004 0.000 1.241 113 V HN 0.979 nan 8.190 nan 0.000 0.466 114 D N -0.358 120.046 120.400 0.006 0.000 2.711 114 D HA 0.312 4.952 4.640 0.000 0.000 0.204 114 D C -1.216 175.084 176.300 0.000 0.000 1.257 114 D CA -0.260 53.745 54.000 0.009 0.000 0.808 114 D CB 0.747 41.549 40.800 0.003 0.000 1.780 114 D HN 0.393 nan 8.370 nan 0.000 0.537 115 I N 0.836 121.407 120.570 0.000 0.000 2.581 115 I HA 0.286 4.456 4.170 0.000 0.000 0.288 115 I C 0.396 176.502 176.117 -0.018 0.000 1.047 115 I CA -0.993 60.302 61.300 -0.009 0.000 1.374 115 I CB 1.933 39.926 38.000 -0.013 0.000 1.423 115 I HN 0.330 nan 8.210 nan 0.000 0.549 116 V N 7.492 127.397 119.914 -0.015 0.000 2.468 116 V HA 0.115 4.235 4.120 0.000 0.000 0.256 116 V C 0.713 176.824 176.094 0.028 0.000 0.998 116 V CA -0.145 62.149 62.300 -0.010 0.000 1.114 116 V CB 1.009 32.818 31.823 -0.023 0.000 1.378 116 V HN 0.636 nan 8.190 nan 0.000 0.573 117 V N 2.624 122.561 119.914 0.037 0.000 3.244 117 V HA -0.165 3.955 4.120 0.000 0.000 0.273 117 V C 1.804 178.002 176.094 0.173 0.000 1.180 117 V CA 2.066 64.413 62.300 0.078 0.000 1.182 117 V CB -1.453 30.412 31.823 0.070 0.000 0.796 117 V HN 0.839 nan 8.190 nan 0.000 0.543 118 H N -0.700 118.352 119.070 -0.031 0.000 2.342 118 H HA 0.209 4.765 4.556 0.000 0.000 0.334 118 H C 2.090 177.395 175.328 -0.038 0.000 1.207 118 H CA 0.853 56.883 56.048 -0.031 0.000 1.810 118 H CB -0.227 29.518 29.762 -0.028 0.000 1.530 118 H HN 0.287 nan 8.280 nan 0.000 0.618 119 N N -0.740 118.018 118.700 0.097 0.000 3.371 119 N HA -0.229 4.511 4.740 0.000 0.000 0.225 119 N C 0.011 175.517 175.510 -0.005 0.000 0.158 119 N CA 2.151 55.195 53.050 -0.011 0.000 3.732 119 N CB -1.528 36.942 38.487 -0.029 0.000 1.091 119 N HN 0.308 nan 8.380 nan 0.000 0.250 120 L N -0.596 120.612 121.223 -0.025 0.000 2.600 120 L HA 0.566 4.906 4.340 0.000 0.000 0.221 120 L C -0.076 176.749 176.870 -0.076 0.000 1.197 120 L CA -0.391 54.426 54.840 -0.038 0.000 0.838 120 L CB 0.192 42.222 42.059 -0.049 0.000 1.474 120 L HN 0.375 nan 8.230 nan 0.000 0.514 121 Q N 0.252 120.009 119.800 -0.072 0.000 4.056 121 Q HA 0.408 4.748 4.340 0.000 0.000 0.163 121 Q C -1.320 174.640 176.000 -0.066 0.000 0.865 121 Q CA 0.064 55.819 55.803 -0.080 0.000 0.779 121 Q CB 1.039 29.755 28.738 -0.036 0.000 1.500 121 Q HN 0.485 nan 8.270 nan 0.000 0.462 122 I N 2.649 123.170 120.570 -0.081 0.000 2.574 122 I HA 0.049 4.219 4.170 0.000 0.000 0.291 122 I C 0.662 176.745 176.117 -0.056 0.000 1.131 122 I CA 0.133 61.392 61.300 -0.068 0.000 1.352 122 I CB -0.483 37.473 38.000 -0.074 0.000 1.431 122 I HN 0.264 nan 8.210 nan 0.000 0.543 123 V N 3.249 123.137 119.914 -0.043 0.000 3.856 123 V HA 0.967 5.087 4.120 0.000 0.000 0.302 123 V C -0.160 175.918 176.094 -0.026 0.000 1.389 123 V CA -0.677 61.605 62.300 -0.031 0.000 0.964 123 V CB 1.723 33.533 31.823 -0.022 0.000 1.227 123 V HN 0.582 nan 8.190 nan 0.000 0.474 124 A N 1.179 123.989 122.820 -0.017 0.000 3.044 124 A HA 0.725 5.045 4.320 0.000 0.000 0.289 124 A C -2.510 175.072 177.584 -0.004 0.000 1.236 124 A CA -0.715 51.316 52.037 -0.011 0.000 0.871 124 A CB -0.195 18.798 19.000 -0.011 0.000 1.424 124 A HN 0.682 nan 8.150 nan 0.000 0.564 125 P HA 0.235 nan 4.420 nan 0.000 0.341 125 P C 0.879 178.182 177.300 0.005 0.000 1.407 125 P CA 0.205 63.306 63.100 0.001 0.000 0.837 125 P CB 0.250 31.950 31.700 0.000 0.000 2.024 126 G N 0.792 109.595 108.800 0.007 0.000 2.508 126 G HA2 0.285 4.245 3.960 0.000 0.000 0.301 126 G HA3 0.285 4.245 3.960 0.000 0.000 0.301 126 G C -2.342 172.567 174.900 0.015 0.000 0.965 126 G CA -0.708 44.398 45.100 0.010 0.000 1.339 126 G HN 0.255 nan 8.290 nan 0.000 0.455 127 P HA -0.183 nan 4.420 nan 0.000 0.270 127 P C 0.663 177.983 177.300 0.033 0.000 1.167 127 P CA 0.471 63.589 63.100 0.030 0.000 0.759 127 P CB 0.307 32.032 31.700 0.041 0.000 0.777 128 R N 0.565 121.089 120.500 0.040 0.000 3.118 128 R HA -0.241 4.099 4.340 0.000 0.000 0.238 128 R C -0.134 176.184 176.300 0.031 0.000 0.884 128 R CA 0.753 56.879 56.100 0.044 0.000 0.601 128 R CB -1.341 28.998 30.300 0.065 0.000 1.009 128 R HN 0.465 nan 8.270 nan 0.000 0.478 129 R N 0.469 120.980 120.500 0.019 0.000 3.107 129 R HA 0.186 4.526 4.340 0.000 0.000 0.224 129 R C -1.003 175.300 176.300 0.005 0.000 1.734 129 R CA -0.537 55.570 56.100 0.013 0.000 1.303 129 R CB 0.520 30.828 30.300 0.014 0.000 1.570 129 R HN 0.278 nan 8.270 nan 0.000 0.606 130 I N -1.219 119.351 120.570 -0.000 0.000 2.722 130 I HA 0.520 4.690 4.170 0.000 0.000 0.292 130 I C -2.597 173.513 176.117 -0.012 0.000 1.267 130 I CA -2.500 58.796 61.300 -0.007 0.000 1.036 130 I CB 1.514 39.506 38.000 -0.013 0.000 1.281 130 I HN 0.040 nan 8.210 nan 0.000 0.423 131 P HA 0.238 nan 4.420 nan 0.000 0.268 131 P C 0.164 177.449 177.300 -0.025 0.000 1.541 131 P CA -0.072 63.020 63.100 -0.014 0.000 1.093 131 P CB 1.013 32.709 31.700 -0.007 0.000 1.551 132 Q N 1.008 120.784 119.800 -0.040 0.000 2.407 132 Q HA -0.192 4.148 4.340 0.000 0.000 0.217 132 Q C 0.047 176.015 176.000 -0.052 0.000 1.000 132 Q CA 1.418 57.185 55.803 -0.060 0.000 0.940 132 Q CB 0.024 28.711 28.738 -0.086 0.000 0.930 132 Q HN 0.569 nan 8.270 nan 0.000 0.433 133 E N 0.049 120.225 120.200 -0.041 0.000 2.373 133 E HA 0.289 4.639 4.350 0.000 0.000 0.251 133 E C -1.311 175.279 176.600 -0.016 0.000 0.923 133 E CA -0.132 56.243 56.400 -0.041 0.000 0.798 133 E CB 1.214 30.875 29.700 -0.065 0.000 1.303 133 E HN 0.129 nan 8.360 nan 0.000 0.412 134 L N 2.691 123.917 121.223 0.005 0.000 2.296 134 L HA 0.504 4.844 4.340 0.000 0.000 0.286 134 L C -0.832 176.065 176.870 0.044 0.000 1.023 134 L CA -0.902 53.949 54.840 0.019 0.000 0.812 134 L CB 1.378 43.447 42.059 0.018 0.000 1.223 134 L HN 0.161 nan 8.230 nan 0.000 0.421 135 V N 5.147 125.084 119.914 0.039 0.000 2.628 135 V HA 0.619 4.739 4.120 0.000 0.000 0.306 135 V C -0.615 175.505 176.094 0.042 0.000 1.045 135 V CA -0.521 61.813 62.300 0.057 0.000 0.905 135 V CB 2.164 34.018 31.823 0.052 0.000 0.997 135 V HN 0.487 nan 8.190 nan 0.000 0.436 136 V N 3.435 123.376 119.914 0.045 0.000 2.697 136 V HA 0.505 4.625 4.120 0.000 0.000 0.296 136 V C -1.600 174.510 176.094 0.026 0.000 1.140 136 V CA -0.646 61.672 62.300 0.031 0.000 0.921 136 V CB 2.116 33.956 31.823 0.028 0.000 1.036 136 V HN 0.939 nan 8.190 nan 0.000 0.438 137 D N 3.393 123.805 120.400 0.020 0.000 2.411 137 D HA 0.141 4.781 4.640 0.000 0.000 0.239 137 D C 0.760 177.065 176.300 0.008 0.000 1.307 137 D CA -0.196 53.811 54.000 0.013 0.000 0.930 137 D CB 2.104 42.914 40.800 0.017 0.000 1.395 137 D HN 0.466 nan 8.370 nan 0.000 0.536 138 V N 0.019 119.935 119.914 0.004 0.000 3.383 138 V HA -0.032 4.088 4.120 0.000 0.000 0.272 138 V C 1.039 177.132 176.094 -0.002 0.000 1.181 138 V CA 1.126 63.427 62.300 0.001 0.000 1.171 138 V CB -1.618 30.205 31.823 -0.001 0.000 0.800 138 V HN 0.804 nan 8.190 nan 0.000 0.515 139 T N -2.875 111.678 114.554 -0.002 0.000 0.916 139 T HA -0.175 4.175 4.350 0.000 0.000 0.754 139 T C -0.123 174.571 174.700 -0.010 0.000 0.994 139 T CA 0.206 62.304 62.100 -0.004 0.000 3.979 139 T CB -1.388 67.478 68.868 -0.003 0.000 2.319 139 T HN 1.397 nan 8.240 nan 0.000 0.391 140 K N 0.383 120.776 120.400 -0.012 0.000 5.986 140 K HA 0.283 4.603 4.320 0.000 0.000 0.697 140 K C -0.574 176.014 176.600 -0.021 0.000 2.469 140 K CA 0.526 56.802 56.287 -0.019 0.000 1.880 140 K CB -0.959 31.528 32.500 -0.023 0.000 2.721 140 K HN 1.769 nan 8.250 nan 0.000 0.159 141 M N 0.180 119.765 119.600 -0.025 0.000 2.525 141 M HA 0.543 5.023 4.480 0.000 0.000 0.286 141 M C -1.251 175.033 176.300 -0.028 0.000 1.019 141 M CA -0.655 54.630 55.300 -0.025 0.000 0.865 141 M CB 1.388 33.980 32.600 -0.014 0.000 1.851 141 M HN 0.749 nan 8.290 nan 0.000 0.544 142 N N 0.704 119.384 118.700 -0.034 0.000 5.607 142 N HA 0.332 5.072 4.740 0.000 0.000 0.241 142 N C -0.020 175.459 175.510 -0.053 0.000 1.111 142 N CA 0.073 53.103 53.050 -0.033 0.000 0.812 142 N CB 0.114 38.584 38.487 -0.027 0.000 1.685 142 N HN 1.077 nan 8.380 nan 0.000 0.462 143 I N -0.395 120.150 120.570 -0.041 0.000 5.050 143 I HA -0.348 3.822 4.170 0.000 0.000 0.087 143 I C 1.460 177.531 176.117 -0.075 0.000 0.929 143 I CA 1.750 63.020 61.300 -0.049 0.000 1.639 143 I CB -0.697 37.269 38.000 -0.056 0.000 1.365 143 I HN 0.839 nan 8.210 nan 0.000 0.279 144 G N 1.558 110.295 108.800 -0.105 0.000 3.562 144 G HA2 0.235 4.195 3.960 0.000 0.000 0.279 144 G HA3 0.235 4.195 3.960 0.000 0.000 0.279 144 G C -0.281 174.293 174.900 -0.544 0.000 1.314 144 G CA -0.081 44.920 45.100 -0.165 0.000 1.189 144 G HN 0.469 nan 8.290 nan 0.000 0.562 145 D N 0.673 120.759 120.400 -0.524 0.000 2.348 145 D HA 0.530 5.170 4.640 0.000 0.000 0.249 145 D C -0.148 175.602 176.300 -0.917 0.000 1.110 145 D CA 0.266 53.910 54.000 -0.593 0.000 0.967 145 D CB 1.062 41.715 40.800 -0.243 0.000 1.139 145 D HN 0.479 nan 8.370 nan 0.000 0.466 146 H N -1.458 117.594 119.070 -0.029 0.000 3.094 146 H HA 0.488 5.044 4.556 0.000 0.000 0.346 146 H C -0.791 174.509 175.328 -0.047 0.000 1.238 146 H CA -0.859 55.165 56.048 -0.040 0.000 1.209 146 H CB 1.369 31.107 29.762 -0.040 0.000 1.911 146 H HN 0.284 nan 8.280 nan 0.000 0.540 147 I N -0.351 120.252 120.570 0.054 0.000 2.647 147 I HA 0.886 5.056 4.170 0.000 0.000 0.295 147 I C -0.574 175.503 176.117 -0.068 0.000 1.078 147 I CA -0.514 60.781 61.300 -0.008 0.000 1.048 147 I CB 2.594 40.580 38.000 -0.023 0.000 1.239 147 I HN 0.854 nan 8.210 nan 0.000 0.421 148 T N 1.757 116.265 114.554 -0.077 0.000 2.606 148 T HA 0.713 5.063 4.350 0.000 0.000 0.289 148 T C 0.933 175.594 174.700 -0.066 0.000 1.113 148 T CA -0.075 61.934 62.100 -0.151 0.000 1.106 148 T CB 0.475 69.267 68.868 -0.126 0.000 1.611 148 T HN 1.085 nan 8.240 nan 0.000 0.471 149 A N 1.030 123.845 122.820 -0.008 0.000 2.977 149 A HA 0.205 4.525 4.320 0.000 0.000 0.202 149 A C 2.362 179.963 177.584 0.029 0.000 0.949 149 A CA 3.199 55.275 52.037 0.065 0.000 1.099 149 A CB -2.114 16.935 19.000 0.082 0.000 0.716 149 A HN 2.283 nan 8.150 nan 0.000 0.540 150 G N -0.512 108.302 108.800 0.024 0.000 3.465 150 G HA2 -0.522 3.438 3.960 0.000 0.000 0.274 150 G HA3 -0.522 3.438 3.960 0.000 0.000 0.274 150 G C 0.838 175.746 174.900 0.013 0.000 0.930 150 G CA 2.167 47.276 45.100 0.015 0.000 0.808 150 G HN 0.704 nan 8.290 nan 0.000 1.233 151 D N 0.810 121.214 120.400 0.007 0.000 2.286 151 D HA -0.120 4.520 4.640 0.000 0.000 0.197 151 D C 2.152 178.457 176.300 0.009 0.000 1.015 151 D CA 1.602 55.605 54.000 0.005 0.000 0.871 151 D CB -0.531 40.269 40.800 -0.001 0.000 1.044 151 D HN 0.733 nan 8.370 nan 0.000 0.459 152 I N -1.651 118.924 120.570 0.009 0.000 4.907 152 I HA -0.459 3.711 4.170 0.000 0.000 0.038 152 I C -0.318 175.808 176.117 0.016 0.000 0.635 152 I CA 1.608 62.919 61.300 0.019 0.000 0.208 152 I CB -0.641 37.380 38.000 0.035 0.000 0.321 152 I HN 0.195 nan 8.210 nan 0.000 0.150 153 K N 0.227 120.638 120.400 0.018 0.000 0.972 153 K HA 0.337 4.657 4.320 0.000 0.000 1.032 153 K C -1.192 175.417 176.600 0.016 0.000 0.675 153 K CA 0.132 56.427 56.287 0.014 0.000 0.760 153 K CB -0.438 32.069 32.500 0.012 0.000 3.444 153 K HN 0.489 nan 8.250 nan 0.000 0.136 154 L N 3.527 124.759 121.223 0.015 0.000 2.292 154 L HA 0.750 5.090 4.340 0.000 0.000 0.284 154 L C -1.769 175.107 176.870 0.010 0.000 1.065 154 L CA -1.174 53.674 54.840 0.013 0.000 0.806 154 L CB 0.723 42.790 42.059 0.012 0.000 1.175 154 L HN 0.323 nan 8.230 nan 0.000 0.431 155 P HA 0.313 nan 4.420 nan 0.000 0.285 155 P C -0.300 177.004 177.300 0.007 0.000 1.269 155 P CA -0.483 62.622 63.100 0.008 0.000 0.844 155 P CB 1.440 33.146 31.700 0.009 0.000 1.094 156 E N 1.398 121.602 120.200 0.006 0.000 3.574 156 E HA -0.295 4.055 4.350 0.000 0.000 0.379 156 E C 0.534 177.137 176.600 0.005 0.000 1.582 156 E CA 1.505 57.908 56.400 0.005 0.000 1.849 156 E CB -1.491 28.212 29.700 0.005 0.000 1.717 156 E HN 0.793 nan 8.360 nan 0.000 0.433 157 G N 0.015 108.818 108.800 0.004 0.000 2.862 157 G HA2 -0.106 3.854 3.960 0.000 0.000 0.303 157 G HA3 -0.106 3.854 3.960 0.000 0.000 0.303 157 G C 0.089 174.991 174.900 0.003 0.000 0.335 157 G CA 0.387 45.489 45.100 0.004 0.000 1.186 157 G HN 0.557 nan 8.290 nan 0.000 0.190 158 C N 3.949 123.251 119.300 0.003 0.000 2.298 158 C HA 0.450 4.910 4.460 0.000 0.000 0.451 158 C C 1.505 176.496 174.990 0.002 0.000 1.028 158 C CA -0.158 58.862 59.018 0.003 0.000 1.324 158 C CB -1.050 26.692 27.740 0.004 0.000 1.534 158 C HN 0.926 nan 8.230 nan 0.000 0.528 159 T N 0.796 115.350 114.554 0.001 0.000 2.589 159 T HA 0.430 4.780 4.350 0.000 0.000 0.178 159 T C 0.409 175.108 174.700 -0.002 0.000 0.708 159 T CA 0.543 62.642 62.100 -0.002 0.000 1.734 159 T CB 0.048 68.914 68.868 -0.005 0.000 2.792 159 T HN 0.439 nan 8.240 nan 0.000 0.406 160 L N -0.490 120.730 121.223 -0.005 0.000 3.768 160 L HA -0.006 4.334 4.340 0.000 0.000 0.418 160 L C 1.403 178.266 176.870 -0.012 0.000 0.864 160 L CA 0.701 55.538 54.840 -0.005 0.000 1.827 160 L CB -2.273 39.787 42.059 0.002 0.000 1.659 160 L HN 0.524 nan 8.230 nan 0.000 0.510 161 A N -0.995 121.814 122.820 -0.017 0.000 2.343 161 A HA 0.052 4.372 4.320 0.000 0.000 0.219 161 A C 1.450 179.018 177.584 -0.027 0.000 1.214 161 A CA 2.566 54.589 52.037 -0.023 0.000 0.691 161 A CB -0.555 18.427 19.000 -0.031 0.000 0.826 161 A HN 1.141 nan 8.150 nan 0.000 0.511 162 A N -1.650 121.157 122.820 -0.022 0.000 2.637 162 A HA 0.680 5.000 4.320 0.000 0.000 0.258 162 A C 0.029 177.611 177.584 -0.004 0.000 1.250 162 A CA 0.034 52.058 52.037 -0.021 0.000 0.931 162 A CB 0.575 19.556 19.000 -0.031 0.000 1.488 162 A HN 0.301 nan 8.150 nan 0.000 0.464 163 D N -1.769 118.635 120.400 0.007 0.000 2.689 163 D HA 0.695 5.335 4.640 0.000 0.000 0.255 163 D C -2.694 173.624 176.300 0.030 0.000 1.113 163 D CA -1.257 52.751 54.000 0.015 0.000 1.115 163 D CB 1.524 42.331 40.800 0.012 0.000 1.334 163 D HN 0.279 nan 8.370 nan 0.000 0.621 164 P HA 0.263 nan 4.420 nan 0.000 0.285 164 P C -0.975 176.343 177.300 0.030 0.000 1.285 164 P CA -0.281 62.836 63.100 0.028 0.000 0.854 164 P CB 0.572 32.282 31.700 0.017 0.000 1.180 165 E N 0.043 120.257 120.200 0.023 0.000 1.820 165 E HA -0.171 4.179 4.350 0.000 0.000 0.296 165 E C -0.878 175.735 176.600 0.021 0.000 1.702 165 E CA 1.055 57.463 56.400 0.013 0.000 1.076 165 E CB -0.644 29.061 29.700 0.009 0.000 0.745 165 E HN 0.391 nan 8.360 nan 0.000 0.333 166 L N 2.398 123.633 121.223 0.021 0.000 3.355 166 L HA -0.001 4.339 4.340 0.000 0.000 0.251 166 L C -0.094 176.815 176.870 0.064 0.000 0.980 166 L CA 0.574 55.448 54.840 0.057 0.000 1.051 166 L CB 1.238 43.356 42.059 0.097 0.000 1.710 166 L HN 0.666 nan 8.230 nan 0.000 0.469 167 T N 1.012 115.587 114.554 0.036 0.000 2.487 167 T HA -0.098 4.252 4.350 0.000 0.000 0.490 167 T C 0.979 174.988 174.700 -1.151 0.000 0.794 167 T CA 0.965 63.038 62.100 -0.044 0.000 3.697 167 T CB -1.362 67.678 68.868 0.286 0.000 0.878 167 T HN 0.447 nan 8.240 nan 0.000 0.259 168 V N 2.169 121.548 119.914 -0.893 0.000 2.502 168 V HA 0.440 4.560 4.120 0.000 0.000 0.234 168 V C 1.069 176.909 176.094 -0.424 0.000 1.072 168 V CA 0.733 62.447 62.300 -0.976 0.000 1.094 168 V CB 0.341 31.924 31.823 -0.400 0.000 0.761 168 V HN 0.889 nan 8.190 nan 0.000 0.489 169 V N 0.584 120.371 119.914 -0.213 0.000 2.891 169 V HA 0.186 4.306 4.120 0.000 0.000 0.234 169 V C -0.486 175.587 176.094 -0.035 0.000 1.898 169 V CA -0.115 62.129 62.300 -0.094 0.000 0.777 169 V CB 0.813 32.595 31.823 -0.069 0.000 1.239 169 V HN 0.581 nan 8.190 nan 0.000 0.540 170 S N 3.439 119.143 115.700 0.008 0.000 2.748 170 S HA 0.950 5.420 4.470 0.000 0.000 0.299 170 S C -0.153 174.488 174.600 0.069 0.000 1.119 170 S CA -0.279 57.975 58.200 0.090 0.000 0.997 170 S CB 2.285 65.640 63.200 0.258 0.000 1.223 170 S HN 2.015 nan 8.310 nan 0.000 0.541 171 V N -0.508 119.462 119.914 0.094 0.000 2.407 171 V HA 0.767 4.887 4.120 0.000 0.000 0.291 171 V C -0.671 175.463 176.094 0.066 0.000 1.018 171 V CA -0.667 61.660 62.300 0.045 0.000 0.842 171 V CB 0.533 32.358 31.823 0.003 0.000 0.996 171 V HN 0.946 nan 8.190 nan 0.000 0.426 172 L N 5.667 126.919 121.223 0.049 0.000 2.286 172 L HA 0.800 5.140 4.340 0.000 0.000 0.265 172 L C -2.393 174.492 176.870 0.025 0.000 1.012 172 L CA -2.487 52.382 54.840 0.047 0.000 0.818 172 L CB 3.281 45.364 42.059 0.039 0.000 1.337 172 L HN 0.475 nan 8.230 nan 0.000 0.438 173 P HA 0.167 nan 4.420 nan 0.000 0.271 173 P C -2.288 175.018 177.300 0.009 0.000 1.380 173 P CA -1.347 61.761 63.100 0.013 0.000 0.992 173 P CB 0.248 31.955 31.700 0.012 0.000 1.230 174 P HA -0.107 nan 4.420 nan 0.000 0.227 174 P C 0.846 178.149 177.300 0.005 0.000 1.145 174 P CA 1.170 64.273 63.100 0.005 0.000 0.769 174 P CB 0.286 31.989 31.700 0.004 0.000 0.769 175 R N -2.444 118.059 120.500 0.005 0.000 3.643 175 R HA 0.361 4.701 4.340 0.000 0.000 0.069 175 R C 0.253 176.555 176.300 0.004 0.000 0.766 175 R CA 0.057 56.159 56.100 0.004 0.000 2.179 175 R CB 0.724 31.026 30.300 0.003 0.000 1.514 175 R HN 0.124 nan 8.270 nan 0.000 0.455 176 L N 1.706 122.931 121.223 0.004 0.000 2.781 176 L HA 0.348 4.688 4.340 0.000 0.000 0.256 176 L C -1.480 175.392 176.870 0.003 0.000 0.930 176 L CA -0.290 54.552 54.840 0.004 0.000 0.967 176 L CB 2.116 44.177 42.059 0.003 0.000 1.551 176 L HN 0.347 nan 8.230 nan 0.000 0.445 177 T N 0.000 114.556 114.554 0.003 0.000 3.816 177 T HA 0.000 4.350 4.350 0.000 0.000 0.228 177 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 177 T CB 0.000 68.867 68.868 -0.001 0.000 0.612 177 T HN 0.000 nan 8.240 nan 0.000 0.658