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 2b9p_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 2.331 122.535 120.200 0.007 0.000 3.028 2 E HA -0.203 4.147 4.350 0.000 0.000 0.346 2 E C -0.806 175.796 176.600 0.003 0.000 1.360 2 E CA 1.464 57.869 56.400 0.008 0.000 1.303 2 E CB -0.817 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 1.066 122.304 121.223 0.025 0.000 3.157 3 L HA -0.237 4.103 4.340 0.000 0.000 0.475 3 L C 0.699 177.569 176.870 -0.001 0.000 1.004 3 L CA 1.424 56.274 54.840 0.018 0.000 1.012 3 L CB -1.289 40.733 42.059 -0.062 0.000 0.428 3 L HN 0.853 nan 8.230 nan 0.000 0.752 4 T N 0.298 114.867 114.554 0.026 0.000 2.676 4 T HA 0.972 5.322 4.350 0.000 0.000 0.269 4 T C 0.101 174.828 174.700 0.044 0.000 0.952 4 T CA -0.166 61.948 62.100 0.023 0.000 1.040 4 T CB 2.233 71.117 68.868 0.025 0.000 1.352 4 T HN 2.377 nan 8.240 nan 0.000 0.554 5 A N 0.327 123.173 122.820 0.044 0.000 2.436 5 A HA 0.387 4.707 4.320 0.000 0.000 0.686 5 A C 0.214 177.831 177.584 0.055 0.000 0.139 5 A CA 0.318 52.396 52.037 0.068 0.000 0.025 5 A CB -1.526 17.543 19.000 0.115 0.000 3.974 5 A HN 2.265 nan 8.150 nan 0.000 0.548 6 K N -2.249 118.179 120.400 0.047 0.000 2.099 6 K HA 0.042 4.362 4.320 0.000 0.000 0.111 6 K C -2.358 174.193 176.600 -0.081 0.000 1.899 6 K CA 0.298 56.569 56.287 -0.027 0.000 0.965 6 K CB -0.791 31.691 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 -0.525 176.726 177.300 -0.081 0.000 1.072 7 P CA 0.725 63.803 63.100 -0.037 0.000 0.721 7 P CB 0.318 32.027 31.700 0.014 0.000 0.730 8 R N -0.406 120.090 120.500 -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 -0.025 56.083 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 0.402 nan 8.270 nan 0.000 0.583 9 T N -0.189 114.529 114.554 0.274 0.000 3.505 9 T HA 0.262 4.612 4.350 0.000 0.000 0.308 9 T C -2.633 172.225 174.700 0.263 0.000 0.767 9 T CA -0.919 61.315 62.100 0.224 0.000 1.194 9 T CB 1.553 70.502 68.868 0.136 0.000 0.997 9 T HN 0.162 nan 8.240 nan 0.000 0.504 10 P HA 0.076 nan 4.420 nan 0.000 0.215 10 P C 1.437 178.743 177.300 0.009 0.000 1.144 10 P CA 0.637 63.735 63.100 -0.003 0.000 0.874 10 P CB 0.410 32.090 31.700 -0.033 0.000 0.796 11 K N 0.792 121.222 120.400 0.050 0.000 1.975 11 K HA -0.215 4.105 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 1.368 57.678 56.287 0.038 0.000 0.992 11 K CB -1.402 31.122 32.500 0.040 0.000 0.738 11 K HN 0.049 nan 8.250 nan 0.000 0.446 12 Q N 1.117 120.930 119.800 0.021 0.000 2.045 12 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 12 Q C 2.383 178.380 176.000 -0.004 0.000 0.991 12 Q CA 1.959 57.768 55.803 0.009 0.000 0.851 12 Q CB -0.229 28.519 28.738 0.017 0.000 0.911 12 Q HN 0.379 nan 8.270 nan 0.000 0.418 13 K N 1.046 121.452 120.400 0.010 0.000 1.980 13 K HA -0.192 4.128 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 1.473 57.759 56.287 -0.002 0.000 0.974 13 K CB -0.555 31.966 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 -0.293 176.508 176.870 -0.115 0.000 1.197 14 L CA 0.613 55.363 54.840 -0.150 0.000 0.848 14 L CB -0.375 41.645 42.059 -0.064 0.000 1.020 14 L HN 0.372 nan 8.230 nan 0.000 0.464 15 D N -1.579 118.771 120.400 -0.083 0.000 2.756 15 D HA 0.275 4.915 4.640 0.000 0.000 0.226 15 D C 0.159 176.415 176.300 -0.074 0.000 1.186 15 D CA -0.204 53.754 54.000 -0.070 0.000 0.845 15 D CB 1.465 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 1.289 121.441 120.200 -0.080 0.000 2.963 16 E HA -0.190 4.160 4.350 0.000 0.000 0.288 16 E C 0.259 176.793 176.600 -0.111 0.000 1.233 16 E CA 1.387 57.740 56.400 -0.077 0.000 1.487 16 E CB -1.924 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 -0.218 115.412 115.700 -0.117 0.000 2.687 17 S HA 0.402 4.872 4.470 0.000 0.000 0.247 17 S C 0.350 174.825 174.600 -0.209 0.000 1.050 17 S CA 0.329 58.435 58.200 -0.157 0.000 1.063 17 S CB 0.371 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 2.436 121.946 119.600 -0.150 0.000 2.125 18 M HA 0.512 4.992 4.480 0.000 0.000 0.321 18 M C -1.950 174.294 176.300 -0.094 0.000 0.983 18 M CA -0.723 54.520 55.300 -0.094 0.000 0.934 18 M CB 0.933 33.541 32.600 0.013 0.000 1.542 18 M HN 0.064 nan 8.290 nan 0.000 0.424 19 I N 3.936 124.458 120.570 -0.080 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 -0.297 61.037 61.300 0.056 0.000 1.221 19 I CB 1.588 39.614 38.000 0.042 0.000 1.366 19 I HN 0.771 nan 8.210 nan 0.000 0.467 20 A N 4.685 127.499 122.820 -0.009 0.000 2.521 20 A HA 0.624 4.944 4.320 0.000 0.000 0.237 20 A C 0.123 177.778 177.584 0.118 0.000 1.087 20 A CA 0.492 52.489 52.037 -0.066 0.000 0.777 20 A CB -0.045 18.716 19.000 -0.398 0.000 1.035 20 A HN 1.463 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 -0.561 177.185 177.584 0.270 0.000 0.993 21 A CA -0.429 51.741 52.037 0.222 0.000 0.961 21 A CB -0.505 18.467 19.000 -0.047 0.000 1.207 21 A HN 1.523 nan 8.150 nan 0.000 0.340 22 V N 1.074 121.212 119.914 0.374 0.000 2.999 22 V HA 0.372 4.492 4.120 0.000 0.000 0.307 22 V C 1.340 177.596 176.094 0.270 0.000 1.084 22 V CA 0.644 63.133 62.300 0.315 0.000 1.155 22 V CB 1.363 33.370 31.823 0.306 0.000 0.975 22 V HN 1.662 nan 8.190 nan 0.000 0.490 23 A N 4.431 127.349 122.820 0.164 0.000 2.923 23 A HA 0.371 4.691 4.320 0.000 0.000 0.306 23 A C -0.464 177.224 177.584 0.173 0.000 1.542 23 A CA -0.264 51.860 52.037 0.144 0.000 1.225 23 A CB -0.704 18.327 19.000 0.052 0.000 1.147 23 A HN 0.799 nan 8.150 nan 0.000 0.542 24 Y N 2.688 123.088 120.300 0.167 0.000 2.313 24 Y HA 0.449 4.999 4.550 0.000 0.000 0.332 24 Y C 0.131 176.082 175.900 0.086 0.000 1.071 24 Y CA -0.243 57.985 58.100 0.213 0.000 1.169 24 Y CB 0.716 39.370 38.460 0.323 0.000 1.192 24 Y HN 0.707 nan 8.280 nan 0.000 0.487 25 N N 4.172 123.129 118.700 0.428 0.000 2.504 25 N HA 0.071 4.811 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 -0.317 0.000 0.875 25 N CB 1.606 39.862 38.487 -0.385 0.000 1.630 25 N HN 0.654 nan 8.380 nan 0.000 0.486 26 K N 2.105 122.655 120.400 0.250 0.000 2.258 26 K HA -0.117 4.203 4.320 0.000 0.000 0.266 26 K C -0.598 176.034 176.600 0.053 0.000 1.204 26 K CA 1.515 57.981 56.287 0.299 0.000 1.206 26 K CB -0.401 32.162 32.500 0.104 0.000 0.854 26 K HN 0.765 nan 8.250 nan 0.000 0.453 27 E N 0.777 121.022 120.200 0.075 0.000 3.803 27 E HA -0.164 4.186 4.350 0.000 0.000 0.242 27 E C -0.832 175.749 176.600 -0.031 0.000 0.590 27 E CA 0.832 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 1.062 119.736 118.700 -0.043 0.000 2.331 28 N HA 0.502 5.242 4.740 0.000 0.000 0.280 28 N C -1.286 174.161 175.510 -0.105 0.000 1.155 28 N CA -0.706 52.300 53.050 -0.074 0.000 0.822 28 N CB 1.251 39.702 38.487 -0.059 0.000 1.619 28 N HN -0.047 nan 8.380 nan 0.000 0.476 29 N N -0.699 117.924 118.700 -0.129 0.000 2.577 29 N HA 0.756 5.496 4.740 0.000 0.000 0.285 29 N C -1.364 174.092 175.510 -0.091 0.000 1.309 29 N CA -0.487 52.483 53.050 -0.133 0.000 0.798 29 N CB 2.095 40.449 38.487 -0.221 0.000 1.463 29 N HN 0.403 nan 8.380 nan 0.000 0.518 30 V N -0.092 119.777 119.914 -0.076 0.000 2.739 30 V HA 0.225 4.345 4.120 0.000 0.000 0.293 30 V C 0.031 176.060 176.094 -0.109 0.000 1.199 30 V CA -1.064 61.187 62.300 -0.082 0.000 0.931 30 V CB 1.368 33.160 31.823 -0.051 0.000 1.052 30 V HN 0.856 nan 8.190 nan 0.000 0.441 31 S N 3.767 119.348 115.700 -0.199 0.000 2.904 31 S HA -0.131 4.339 4.470 0.000 0.000 0.353 31 S C -0.082 174.376 174.600 -0.237 0.000 1.213 31 S CA 0.645 58.621 58.200 -0.374 0.000 0.972 31 S CB -0.169 62.852 63.200 -0.298 0.000 0.625 31 S HN 1.085 nan 8.310 nan 0.000 0.429 32 F N 2.336 122.312 119.950 0.043 0.000 2.427 32 F HA 0.724 5.251 4.527 -0.000 0.000 0.352 32 F C 0.578 176.398 175.800 0.032 0.000 1.100 32 F CA -0.657 57.373 58.000 0.051 0.000 1.191 32 F CB -0.118 38.937 39.000 0.091 0.000 1.128 32 F HN 0.679 nan 8.300 nan 0.000 0.533 33 A N 3.060 126.003 122.820 0.204 0.000 3.969 33 A HA 0.946 5.266 4.320 0.000 0.000 0.168 33 A C 0.092 177.710 177.584 0.056 0.000 0.806 33 A CA -0.116 51.991 52.037 0.116 0.000 0.871 33 A CB 0.174 19.197 19.000 0.038 0.000 1.498 33 A HN 1.571 nan 8.150 nan 0.000 0.779 34 L N -4.052 117.169 121.223 -0.002 0.000 7.154 34 L HA 0.102 4.442 4.340 0.000 0.000 0.053 34 L C -0.625 176.418 176.870 0.288 0.000 2.355 34 L CA 1.083 55.885 54.840 -0.063 0.000 1.275 34 L CB -1.798 39.998 42.059 -0.439 0.000 3.076 34 L HN 1.825 nan 8.230 nan 0.000 1.200 35 D N -0.297 120.654 120.400 0.918 0.000 3.109 35 D HA 0.085 4.725 4.640 0.000 0.000 0.266 35 D C -1.233 174.306 176.300 -1.269 0.000 0.926 35 D CA 0.028 54.378 54.000 0.584 0.000 0.838 35 D CB 0.443 41.422 40.800 0.298 0.000 3.234 35 D HN 0.768 nan 8.370 nan 0.000 0.507 36 R N 2.488 122.264 120.500 -1.206 0.000 4.138 36 R HA 0.355 4.695 4.340 0.000 0.000 0.206 36 R C 0.657 176.493 176.300 -0.774 0.000 1.667 36 R CA -0.208 55.016 56.100 -1.460 0.000 1.481 36 R CB 0.403 30.262 30.300 -0.735 0.000 1.388 36 R HN 0.375 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 1.098 177.670 176.600 -0.047 0.000 2.157 37 K CA 0.755 56.897 56.287 -0.241 0.000 1.240 37 K CB -0.523 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 0.092 4.412 4.320 0.000 0.000 0.213 38 A C 1.663 179.465 177.584 0.365 0.000 1.210 38 A CA 1.613 53.837 52.037 0.310 0.000 0.605 38 A CB -1.111 18.112 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 1.844 177.005 175.800 -1.065 0.000 1.072 39 F CA 1.087 57.676 58.000 -2.352 0.000 1.288 39 F CB -1.538 36.325 39.000 -1.894 0.000 0.963 39 F HN 0.305 nan 8.300 nan 0.000 0.496 40 D N 0.453 120.721 120.400 -0.220 0.000 1.440 40 D HA -0.169 4.471 4.640 0.000 0.000 0.325 40 D C 1.510 177.905 176.300 0.159 0.000 1.491 40 D CA 1.113 55.094 54.000 -0.031 0.000 1.210 40 D CB -0.815 39.955 40.800 -0.049 0.000 2.353 40 D HN 0.023 nan 8.370 nan 0.000 0.734 41 R N 0.538 121.117 120.500 0.132 0.000 2.562 41 R HA -0.293 4.047 4.340 0.000 0.000 0.226 41 R C 2.102 178.556 176.300 0.256 0.000 0.907 41 R CA 2.459 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 0.332 0.000 1.877 42 A HA -0.297 4.023 4.320 0.000 0.000 0.218 42 A C 2.179 179.979 177.584 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 -0.279 119.764 119.950 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 1.961 60.037 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 0.257 120.953 120.500 0.328 0.000 2.153 44 R HA -0.245 4.095 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 1.777 57.987 56.100 0.183 0.000 0.975 44 R CB -0.946 29.441 30.300 0.144 0.000 0.871 44 R HN 0.399 nan 8.270 nan 0.000 0.450 45 Q N 0.398 120.277 119.800 0.132 0.000 1.921 45 Q HA -0.159 4.181 4.340 0.000 0.000 0.208 45 Q C 0.576 176.596 176.000 0.034 0.000 0.994 45 Q CA 1.985 57.833 55.803 0.075 0.000 0.857 45 Q CB 0.005 28.788 28.738 0.075 0.000 0.925 45 Q HN 0.650 nan 8.270 nan 0.000 0.421 46 Q N -2.437 117.369 119.800 0.011 0.000 3.661 46 Q HA 0.273 4.613 4.340 0.000 0.000 0.150 46 Q C -0.760 175.199 176.000 -0.069 0.000 0.645 46 Q CA -0.131 55.658 55.803 -0.023 0.000 0.955 46 Q CB -0.619 28.090 28.738 -0.048 0.000 1.530 46 Q HN -0.006 nan 8.270 nan 0.000 0.381 47 S N 0.780 116.436 115.700 -0.074 0.000 3.423 47 S HA -0.157 4.313 4.470 0.000 0.000 0.274 47 S C 0.698 175.209 174.600 -0.148 0.000 1.575 47 S CA 1.125 59.224 58.200 -0.168 0.000 1.178 47 S CB -0.103 62.994 63.200 -0.171 0.000 0.735 47 S HN 0.621 nan 8.310 nan 0.000 0.442 48 T N 1.835 116.279 114.554 -0.183 0.000 2.466 48 T HA -0.103 4.247 4.350 0.000 0.000 0.419 48 T C 1.127 175.765 174.700 -0.105 0.000 0.885 48 T CA 1.262 63.273 62.100 -0.147 0.000 3.945 48 T CB -1.595 67.186 68.868 -0.146 0.000 0.543 48 T HN 0.831 nan 8.240 nan 0.000 0.197 49 T N -3.793 110.697 114.554 -0.107 0.000 3.131 49 T HA 0.456 4.806 4.350 0.000 0.000 0.283 49 T C 1.318 175.954 174.700 -0.106 0.000 0.906 49 T CA 0.115 62.165 62.100 -0.082 0.000 0.882 49 T CB 0.864 69.698 68.868 -0.056 0.000 1.208 49 T HN 0.468 nan 8.240 nan 0.000 0.561 50 G N 0.972 109.681 108.800 -0.151 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 -0.675 174.085 174.900 -0.234 0.000 1.467 50 G CA 0.208 45.186 45.100 -0.203 0.000 0.806 50 G HN 0.828 nan 8.290 nan 0.000 0.709 51 L N -1.267 119.754 121.223 -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 -0.142 41.852 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 0.688 5.215 4.527 -0.000 0.000 0.219 52 F C -0.093 175.733 175.800 0.043 0.000 1.309 52 F CA 0.630 58.645 58.000 0.025 0.000 1.157 52 F CB -0.153 38.861 39.000 0.024 0.000 2.071 52 F HN 0.744 nan 8.300 nan 0.000 0.120 53 D N -1.288 119.291 120.400 0.298 0.000 3.302 53 D HA 0.390 5.030 4.640 0.000 0.000 0.302 53 D C -2.078 174.268 176.300 0.078 0.000 1.026 53 D CA -0.348 53.750 54.000 0.165 0.000 0.712 53 D CB 0.317 41.201 40.800 0.140 0.000 1.610 53 D HN 0.133 nan 8.370 nan 0.000 0.502 54 I N 0.474 121.071 120.570 0.046 0.000 2.957 54 I HA 0.465 4.635 4.170 0.000 0.000 0.310 54 I C 0.171 176.284 176.117 -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 40.203 38.000 -0.001 0.000 1.230 54 I HN 0.378 nan 8.210 nan 0.000 0.447 55 T N 3.685 118.228 114.554 -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 61.837 62.100 -0.021 0.000 0.987 55 T CB -0.165 68.684 68.868 -0.032 0.000 1.073 55 T HN 0.195 nan 8.240 nan 0.000 0.547 56 V N 4.934 124.844 119.914 -0.006 0.000 2.304 56 V HA 0.250 4.370 4.120 0.000 0.000 0.269 56 V C 0.434 176.528 176.094 -0.001 0.000 1.036 56 V CA -0.608 61.690 62.300 -0.003 0.000 0.840 56 V CB 0.107 31.928 31.823 -0.003 0.000 1.036 56 V HN 0.851 nan 8.190 nan 0.000 0.466 57 E N 3.272 123.470 120.200 -0.003 0.000 2.694 57 E HA -0.262 4.088 4.350 0.000 0.000 0.272 57 E C 1.465 178.062 176.600 -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 -0.452 3.508 3.960 0.000 0.000 0.264 58 G HA3 -0.452 3.508 3.960 0.000 0.000 0.264 58 G C 1.423 176.315 174.900 -0.013 0.000 0.990 58 G CA 1.876 46.963 45.100 -0.020 0.000 0.647 58 G HN 1.079 nan 8.290 nan 0.000 0.561 59 G N 0.486 109.288 108.800 0.003 0.000 3.665 59 G HA2 -0.183 3.777 3.960 0.000 0.000 0.251 59 G HA3 -0.183 3.777 3.960 0.000 0.000 0.251 59 G C 0.473 175.397 174.900 0.039 0.000 0.940 59 G CA 1.380 46.493 45.100 0.022 0.000 0.741 59 G HN 0.986 nan 8.290 nan 0.000 1.302 60 E N 0.274 120.515 120.200 0.068 0.000 2.518 60 E HA 0.381 4.731 4.350 0.000 0.000 0.240 60 E C -0.525 176.107 176.600 0.053 0.000 0.996 60 E CA -0.122 56.361 56.400 0.139 0.000 0.768 60 E CB 1.107 31.013 29.700 0.344 0.000 1.329 60 E HN 0.397 nan 8.360 nan 0.000 0.408 61 T N 0.329 114.773 114.554 -0.183 0.000 3.162 61 T HA 0.264 4.614 4.350 0.000 0.000 0.264 61 T C -0.270 174.185 174.700 -0.409 0.000 0.959 61 T CA -0.008 61.961 62.100 -0.218 0.000 1.118 61 T CB -0.841 67.899 68.868 -0.214 0.000 0.979 61 T HN 0.172 nan 8.240 nan 0.000 0.679 62 F N 3.477 123.442 119.950 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 55.444 58.000 0.029 0.000 0.954 62 F CB 2.641 41.647 39.000 0.009 0.000 1.301 62 F HN 0.267 nan 8.300 nan 0.000 0.482 63 P HA 0.684 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 0.140 63.350 63.100 0.183 0.000 0.814 63 P CB 2.580 34.376 31.700 0.160 0.000 1.311 64 A N -2.163 120.705 122.820 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 -2.251 16.783 19.000 0.057 0.000 0.643 64 A HN 0.498 nan 8.150 nan 0.000 0.600 65 L N -2.572 118.681 121.223 0.050 0.000 5.352 65 L HA -0.320 4.020 4.340 0.000 0.000 0.053 65 L C 1.047 177.656 176.870 -0.435 0.000 2.872 65 L CA 1.823 56.645 54.840 -0.030 0.000 1.575 65 L CB -1.380 40.620 42.059 -0.099 0.000 2.871 65 L HN 1.292 nan 8.230 nan 0.000 0.934 66 V N 0.415 119.918 119.914 -0.684 0.000 2.472 66 V HA 0.417 4.537 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 0.197 62.034 62.300 -0.771 0.000 0.908 66 V CB 1.567 32.861 31.823 -0.883 0.000 0.985 66 V HN 0.573 nan 8.190 nan 0.000 0.454 67 K N 4.716 124.934 120.400 -0.302 0.000 2.506 67 K HA 0.776 5.096 4.320 0.000 0.000 0.204 67 K C -0.434 176.048 176.600 -0.196 0.000 1.045 67 K CA 0.579 56.727 56.287 -0.233 0.000 1.074 67 K CB 0.614 32.951 32.500 -0.271 0.000 0.842 67 K HN 1.055 nan 8.250 nan 0.000 0.514 68 A N -1.314 121.399 122.820 -0.178 0.000 2.452 68 A HA 0.677 4.997 4.320 0.000 0.000 0.294 68 A C -1.277 176.275 177.584 -0.054 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 0.241 nan 8.150 nan 0.000 0.463 69 V N -1.403 118.519 119.914 0.013 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 -0.279 62.068 62.300 0.079 0.000 0.891 69 V CB 0.861 32.746 31.823 0.104 0.000 1.208 69 V HN 2.298 nan 8.190 nan 0.000 0.369 70 Q N -0.098 119.773 119.800 0.118 0.000 2.872 70 Q HA 0.346 4.686 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 -0.482 55.380 55.803 0.099 0.000 1.078 70 Q CB 0.887 29.673 28.738 0.081 0.000 1.890 70 Q HN 0.816 nan 8.270 nan 0.000 0.512 71 M N 2.151 121.805 119.600 0.090 0.000 2.682 71 M HA -0.052 4.428 4.480 0.000 0.000 0.235 71 M C 0.380 176.714 176.300 0.057 0.000 1.114 71 M CA 0.859 56.202 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 0.823 121.262 120.400 0.065 0.000 1.984 72 D HA -0.290 4.350 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 -0.939 39.906 40.800 0.075 0.000 0.347 72 D HN 0.077 nan 8.370 nan 0.000 0.194 73 K N 1.120 121.550 120.400 0.050 0.000 2.328 73 K HA -0.234 4.086 4.320 0.000 0.000 0.237 73 K C 1.635 178.250 176.600 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 32.405 32.500 0.030 0.000 0.646 73 K HN 0.542 nan 8.250 nan 0.000 0.399 74 R N 2.447 122.958 120.500 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 2.054 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 0.358 120.761 120.400 0.006 0.000 2.265 75 K HA -0.279 4.041 4.320 0.000 0.000 0.210 75 K C 0.067 176.668 176.600 0.002 0.000 1.036 75 K CA 1.953 58.240 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 0.172 nan 8.250 nan 0.000 0.485 76 R N -0.739 119.766 120.500 0.008 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 -2.518 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 0.955 123.775 122.820 -0.000 0.000 2.605 77 A HA 0.618 4.938 4.320 0.000 0.000 0.293 77 A C -2.145 175.429 177.584 -0.016 0.000 1.216 77 A CA -1.335 50.691 52.037 -0.019 0.000 0.742 77 A CB 1.353 20.327 19.000 -0.042 0.000 1.170 77 A HN -0.095 nan 8.150 nan 0.000 0.443 78 P HA 0.210 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 0.499 63.625 63.100 0.044 0.000 0.788 78 P CB 0.551 32.312 31.700 0.102 0.000 0.865 79 I N 1.035 121.609 120.570 0.006 0.000 2.693 79 I HA 0.116 4.285 4.170 0.000 0.000 0.271 79 I C -1.019 174.930 176.117 -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 -1.109 174.298 175.328 0.133 0.000 1.391 80 H CA -0.342 55.739 56.048 0.054 0.000 1.592 80 H CB -0.835 28.933 29.762 0.009 0.000 1.506 80 H HN 0.209 nan 8.280 nan 0.000 0.494 81 V N 0.734 120.813 119.914 0.274 0.000 3.211 81 V HA 0.466 4.586 4.120 0.000 0.000 0.319 81 V C 0.524 176.822 176.094 0.341 0.000 1.096 81 V CA -0.390 62.097 62.300 0.311 0.000 1.029 81 V CB 2.096 34.179 31.823 0.434 0.000 1.137 81 V HN 0.585 nan 8.190 nan 0.000 0.453 82 D N -0.191 120.370 120.400 0.268 0.000 2.362 82 D HA 0.616 5.256 4.640 0.000 0.000 0.247 82 D C -1.605 174.791 176.300 0.161 0.000 1.050 82 D CA -0.080 54.070 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 2.921 122.974 119.950 0.171 0.000 2.562 83 F HA 0.386 4.913 4.527 0.000 0.000 0.319 83 F C -1.332 174.613 175.800 0.241 0.000 1.154 83 F CA -0.828 57.253 58.000 0.135 0.000 0.931 83 F CB 1.585 40.632 39.000 0.079 0.000 1.198 83 F HN 0.238 nan 8.300 nan 0.000 0.444 84 Y N 4.853 125.208 120.300 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 -1.001 57.134 58.100 0.057 0.000 1.037 84 Y CB 1.457 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 3.598 122.992 119.600 -0.344 0.000 2.474 85 M HA 0.710 5.190 4.480 0.000 0.000 0.238 85 M C -1.099 175.022 176.300 -0.298 0.000 1.111 85 M CA -1.090 54.091 55.300 -0.197 0.000 1.025 85 M CB 1.202 33.740 32.600 -0.104 0.000 1.348 85 M HN 0.384 nan 8.290 nan 0.000 0.579 86 V N 0.254 120.072 119.914 -0.161 0.000 3.266 86 V HA 0.048 4.168 4.120 0.000 0.000 0.246 86 V C 0.154 176.209 176.094 -0.066 0.000 0.914 86 V CA -0.553 61.682 62.300 -0.108 0.000 1.015 86 V CB 0.794 32.641 31.823 0.040 0.000 0.975 86 V HN 1.006 nan 8.190 nan 0.000 0.512 87 T N -0.889 113.506 114.554 -0.264 0.000 3.278 87 T HA 0.318 4.668 4.350 0.000 0.000 0.251 87 T C 0.027 174.798 174.700 0.117 0.000 1.039 87 T CA 0.303 62.257 62.100 -0.245 0.000 0.935 87 T CB -0.264 67.901 68.868 -1.172 0.000 1.034 87 T HN 0.311 nan 8.240 nan 0.000 0.575 88 Y N 0.151 120.397 120.300 -0.090 0.000 2.568 88 Y HA 0.643 5.193 4.550 0.000 0.000 0.327 88 Y C 1.220 177.119 175.900 -0.002 0.000 1.163 88 Y CA -1.546 56.530 58.100 -0.040 0.000 1.219 88 Y CB 1.586 40.026 38.460 -0.034 0.000 1.308 88 Y HN 0.116 nan 8.280 nan 0.000 0.503 89 G N 0.476 109.290 108.800 0.024 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 0.418 175.349 174.900 0.053 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 0.082 120.356 120.200 0.124 0.000 2.514 90 E HA 0.184 4.534 4.350 0.000 0.000 0.215 90 E C -1.850 174.799 176.600 0.081 0.000 0.946 90 E CA -0.697 55.772 56.400 0.115 0.000 1.038 90 E CB 0.215 30.028 29.700 0.189 0.000 1.069 90 E HN 0.110 nan 8.360 nan 0.000 0.503 91 P HA -0.166 nan 4.420 nan 0.000 0.247 91 P C -0.100 177.218 177.300 0.029 0.000 1.115 91 P CA 0.595 63.728 63.100 0.056 0.000 0.799 91 P CB 0.785 32.516 31.700 0.052 0.000 0.721 92 V N 3.512 123.435 119.914 0.015 0.000 3.240 92 V HA 0.039 4.159 4.120 0.000 0.000 0.218 92 V C 1.217 177.297 176.094 -0.023 0.000 1.190 92 V CA 0.257 62.555 62.300 -0.004 0.000 1.280 92 V CB -0.923 30.896 31.823 -0.007 0.000 1.244 92 V HN 0.390 nan 8.190 nan 0.000 0.512 93 E N 1.744 121.923 120.200 -0.037 0.000 2.522 93 E HA -0.076 4.274 4.350 0.000 0.000 0.268 93 E C -1.018 175.550 176.600 -0.053 0.000 1.114 93 E CA -0.138 56.225 56.400 -0.061 0.000 1.074 93 E CB -0.359 29.281 29.700 -0.100 0.000 1.070 93 E HN 0.321 nan 8.360 nan 0.000 0.448 94 V N 3.171 123.060 119.914 -0.042 0.000 2.313 94 V HA 0.139 4.259 4.120 0.000 0.000 0.278 94 V C -0.218 175.848 176.094 -0.046 0.000 1.017 94 V CA -0.651 61.626 62.300 -0.038 0.000 0.823 94 V CB 1.667 33.476 31.823 -0.022 0.000 1.010 94 V HN 0.294 nan 8.190 nan 0.000 0.443 95 S N 4.455 120.121 115.700 -0.057 0.000 2.512 95 S HA 0.567 5.037 4.470 0.000 0.000 0.291 95 S C -0.200 174.370 174.600 -0.051 0.000 1.151 95 S CA -0.413 57.752 58.200 -0.058 0.000 1.120 95 S CB 1.073 64.231 63.200 -0.070 0.000 1.029 95 S HN 0.433 nan 8.310 nan 0.000 0.485 96 V N 5.171 125.062 119.914 -0.038 0.000 2.815 96 V HA 0.567 4.687 4.120 0.000 0.000 0.314 96 V C -1.988 174.102 176.094 -0.006 0.000 1.064 96 V CA -2.197 60.086 62.300 -0.028 0.000 0.952 96 V CB 1.894 33.700 31.823 -0.028 0.000 1.020 96 V HN 0.476 nan 8.190 nan 0.000 0.439 97 P HA 0.380 nan 4.420 nan 0.000 0.286 97 P C -1.282 176.077 177.300 0.099 0.000 1.293 97 P CA -0.191 62.951 63.100 0.070 0.000 0.770 97 P CB 1.010 32.786 31.700 0.127 0.000 1.206 98 V N -0.579 119.430 119.914 0.159 0.000 2.789 98 V HA 0.298 4.418 4.120 0.000 0.000 0.300 98 V C -0.929 175.259 176.094 0.157 0.000 1.184 98 V CA -0.476 61.911 62.300 0.145 0.000 0.930 98 V CB 1.375 33.240 31.823 0.070 0.000 1.041 98 V HN 0.594 nan 8.190 nan 0.000 0.430 99 H N 1.229 120.305 119.070 0.010 0.000 2.679 99 H HA 0.783 5.339 4.556 -0.000 0.000 0.367 99 H C 0.573 175.907 175.328 0.010 0.000 1.162 99 H CA 0.280 56.334 56.048 0.010 0.000 1.181 99 H CB 2.254 32.020 29.762 0.007 0.000 1.693 99 H HN 0.872 nan 8.280 nan 0.000 0.538 100 T N -1.700 112.896 114.554 0.070 0.000 3.753 100 T HA 0.341 4.691 4.350 0.000 0.000 0.299 100 T C 0.438 175.177 174.700 0.066 0.000 1.202 100 T CA 0.625 62.753 62.100 0.046 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 -1.717 112.862 114.554 0.042 0.000 3.719 101 T HA 0.497 4.847 4.350 0.000 0.000 0.285 101 T C 1.096 175.813 174.700 0.029 0.000 0.963 101 T CA 0.226 62.350 62.100 0.040 0.000 1.154 101 T CB 0.180 69.066 68.868 0.030 0.000 1.123 101 T HN 1.142 nan 8.240 nan 0.000 0.448 102 G N 1.392 110.204 108.800 0.019 0.000 3.288 102 G HA2 -0.011 3.949 3.960 0.000 0.000 0.219 102 G HA3 -0.011 3.949 3.960 0.000 0.000 0.219 102 G C -0.304 174.601 174.900 0.008 0.000 0.944 102 G CA -0.780 44.328 45.100 0.013 0.000 0.854 102 G HN 0.313 nan 8.290 nan 0.000 0.632 103 R N 1.872 122.377 120.500 0.008 0.000 3.058 103 R HA 0.120 4.460 4.340 0.000 0.000 0.231 103 R C 1.023 177.324 176.300 0.002 0.000 0.791 103 R CA 0.998 57.101 56.100 0.005 0.000 1.034 103 R CB -0.238 30.064 30.300 0.003 0.000 0.950 103 R HN 0.689 nan 8.270 nan 0.000 0.386 104 S N 2.185 117.886 115.700 0.001 0.000 2.448 104 S HA 0.283 4.753 4.470 0.000 0.000 0.279 104 S C 0.211 174.809 174.600 -0.003 0.000 1.195 104 S CA -0.668 57.532 58.200 -0.000 0.000 1.051 104 S CB 1.712 64.912 63.200 0.001 0.000 0.948 104 S HN 0.645 nan 8.310 nan 0.000 0.493 105 Q N 2.938 122.735 119.800 -0.005 0.000 2.360 105 Q HA 0.330 4.670 4.340 0.000 0.000 0.178 105 Q C 1.867 177.862 176.000 -0.009 0.000 0.673 105 Q CA 0.697 56.495 55.803 -0.008 0.000 0.896 105 Q CB -0.422 28.309 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 0.656 175.553 174.900 -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 0.945 121.144 120.200 -0.003 0.000 2.110 107 E HA 0.064 4.414 4.350 0.000 0.000 0.220 107 E C 1.854 178.454 176.600 -0.000 0.000 0.893 107 E CA 0.076 56.475 56.400 -0.001 0.000 1.027 107 E CB -0.991 28.709 29.700 0.001 0.000 1.017 107 E HN -0.066 nan 8.360 nan 0.000 0.522 108 V N 1.485 121.399 119.914 0.001 0.000 3.253 108 V HA -0.142 3.978 4.120 0.000 0.000 0.273 108 V C 0.630 176.724 176.094 -0.000 0.000 1.221 108 V CA 1.425 63.725 62.300 0.001 0.000 1.249 108 V CB -1.648 30.176 31.823 0.002 0.000 1.011 108 V HN 0.321 nan 8.190 nan 0.000 0.486 109 Q N -1.163 118.636 119.800 -0.001 0.000 1.969 109 Q HA 0.102 4.442 4.340 0.000 0.000 0.177 109 Q C 1.804 177.803 176.000 -0.003 0.000 0.686 109 Q CA 0.535 56.337 55.803 -0.002 0.000 0.788 109 Q CB 0.387 29.123 28.738 -0.003 0.000 1.223 109 Q HN 0.570 nan 8.270 nan 0.000 0.391 110 G N -0.442 108.356 108.800 -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 0.608 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 0.478 109.277 108.800 -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 0.757 45.858 45.100 0.000 0.000 0.646 111 G HN 0.750 nan 8.290 nan 0.000 0.553 112 L N 0.266 121.489 121.223 0.000 0.000 2.510 112 L HA 0.282 4.622 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 0.909 55.750 54.840 0.001 0.000 0.834 112 L CB 0.406 42.464 42.059 -0.001 0.000 1.085 112 L HN 0.230 nan 8.230 nan 0.000 0.545 113 V N -0.194 119.723 119.914 0.005 0.000 3.703 113 V HA 0.556 4.676 4.120 0.000 0.000 0.306 113 V C -1.584 174.515 176.094 0.008 0.000 1.407 113 V CA -0.340 61.963 62.300 0.004 0.000 0.974 113 V CB 2.023 33.849 31.823 0.004 0.000 1.188 113 V HN 0.978 nan 8.190 nan 0.000 0.477 114 D N -0.359 120.045 120.400 0.006 0.000 2.711 114 D HA 0.312 4.952 4.640 0.000 0.000 0.204 114 D C -1.215 175.085 176.300 -0.000 0.000 1.257 114 D CA -0.261 53.745 54.000 0.009 0.000 0.808 114 D CB 0.745 41.547 40.800 0.003 0.000 1.780 114 D HN 0.393 nan 8.370 nan 0.000 0.537 115 I N 0.836 121.406 120.570 0.000 0.000 2.581 115 I HA 0.286 4.456 4.170 0.000 0.000 0.288 115 I C 0.398 176.504 176.117 -0.019 0.000 1.047 115 I CA -0.990 60.304 61.300 -0.010 0.000 1.374 115 I CB 1.931 39.923 38.000 -0.013 0.000 1.423 115 I HN 0.330 nan 8.210 nan 0.000 0.549 116 V N 7.491 127.396 119.914 -0.015 0.000 2.468 116 V HA 0.115 4.235 4.120 0.000 0.000 0.256 116 V C 0.713 176.823 176.094 0.028 0.000 0.998 116 V CA -0.145 62.148 62.300 -0.011 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 2.614 122.550 119.914 0.037 0.000 3.244 117 V HA -0.166 3.954 4.120 0.000 0.000 0.273 117 V C 1.804 178.002 176.094 0.172 0.000 1.180 117 V CA 2.067 64.414 62.300 0.078 0.000 1.182 117 V CB -1.455 30.410 31.823 0.070 0.000 0.796 117 V HN 0.839 nan 8.190 nan 0.000 0.543 118 H N -0.700 118.350 119.070 -0.032 0.000 2.342 118 H HA 0.209 4.765 4.556 0.000 0.000 0.334 118 H C 2.089 177.394 175.328 -0.039 0.000 1.207 118 H CA 0.853 56.881 56.048 -0.032 0.000 1.810 118 H CB -0.227 29.518 29.762 -0.029 0.000 1.530 118 H HN 0.287 nan 8.280 nan 0.000 0.618 119 N N -0.741 118.017 118.700 0.096 0.000 3.371 119 N HA -0.229 4.511 4.740 0.000 0.000 0.225 119 N C 0.010 175.515 175.510 -0.007 0.000 0.158 119 N CA 2.151 55.194 53.050 -0.012 0.000 3.732 119 N CB -1.528 36.941 38.487 -0.030 0.000 1.091 119 N HN 0.308 nan 8.380 nan 0.000 0.250 120 L N -0.594 120.612 121.223 -0.027 0.000 2.543 120 L HA 0.567 4.907 4.340 0.000 0.000 0.231 120 L C -0.076 176.747 176.870 -0.078 0.000 1.194 120 L CA -0.391 54.424 54.840 -0.041 0.000 0.823 120 L CB 0.194 42.222 42.059 -0.052 0.000 1.374 120 L HN 0.375 nan 8.230 nan 0.000 0.507 121 Q N 0.255 120.010 119.800 -0.075 0.000 4.056 121 Q HA 0.408 4.748 4.340 0.000 0.000 0.163 121 Q C -1.320 174.639 176.000 -0.068 0.000 0.865 121 Q CA 0.064 55.817 55.803 -0.082 0.000 0.779 121 Q CB 1.042 29.757 28.738 -0.038 0.000 1.500 121 Q HN 0.486 nan 8.270 nan 0.000 0.462 122 I N 2.650 123.170 120.570 -0.084 0.000 2.574 122 I HA 0.050 4.220 4.170 0.000 0.000 0.291 122 I C 0.661 176.743 176.117 -0.058 0.000 1.131 122 I CA 0.132 61.390 61.300 -0.071 0.000 1.352 122 I CB -0.481 37.472 38.000 -0.078 0.000 1.431 122 I HN 0.264 nan 8.210 nan 0.000 0.543 123 V N 3.250 123.137 119.914 -0.044 0.000 3.856 123 V HA 0.967 5.087 4.120 0.000 0.000 0.302 123 V C -0.162 175.917 176.094 -0.026 0.000 1.389 123 V CA -0.679 61.602 62.300 -0.032 0.000 0.964 123 V CB 1.723 33.533 31.823 -0.022 0.000 1.227 123 V HN 0.583 nan 8.190 nan 0.000 0.474 124 A N 1.173 123.983 122.820 -0.016 0.000 3.044 124 A HA 0.726 5.046 4.320 0.000 0.000 0.289 124 A C -2.543 175.040 177.584 -0.002 0.000 1.236 124 A CA -0.730 51.301 52.037 -0.009 0.000 0.871 124 A CB -0.162 18.833 19.000 -0.009 0.000 1.424 124 A HN 0.674 nan 8.150 nan 0.000 0.564 125 P HA 0.230 nan 4.420 nan 0.000 0.341 125 P C 0.881 178.185 177.300 0.008 0.000 1.407 125 P CA 0.211 63.312 63.100 0.003 0.000 0.837 125 P CB 0.256 31.957 31.700 0.002 0.000 2.024 126 G N 0.779 109.584 108.800 0.009 0.000 2.508 126 G HA2 0.284 4.244 3.960 0.000 0.000 0.301 126 G HA3 0.284 4.244 3.960 0.000 0.000 0.301 126 G C -2.344 172.567 174.900 0.018 0.000 0.965 126 G CA -0.714 44.394 45.100 0.012 0.000 1.339 126 G HN 0.256 nan 8.290 nan 0.000 0.455 127 P HA -0.184 nan 4.420 nan 0.000 0.270 127 P C 0.662 177.986 177.300 0.040 0.000 1.167 127 P CA 0.473 63.596 63.100 0.037 0.000 0.759 127 P CB 0.307 32.036 31.700 0.049 0.000 0.777 128 R N 0.566 121.095 120.500 0.050 0.000 3.118 128 R HA -0.241 4.099 4.340 0.000 0.000 0.238 128 R C -0.134 176.189 176.300 0.038 0.000 0.884 128 R CA 0.754 56.886 56.100 0.054 0.000 0.601 128 R CB -1.340 29.006 30.300 0.076 0.000 1.009 128 R HN 0.465 nan 8.270 nan 0.000 0.478 129 R N 0.471 120.986 120.500 0.025 0.000 3.107 129 R HA 0.186 4.526 4.340 0.000 0.000 0.224 129 R C -1.004 175.301 176.300 0.009 0.000 1.734 129 R CA -0.538 55.572 56.100 0.018 0.000 1.303 129 R CB 0.521 30.831 30.300 0.017 0.000 1.570 129 R HN 0.278 nan 8.270 nan 0.000 0.606 130 I N -1.215 119.357 120.570 0.004 0.000 2.722 130 I HA 0.520 4.690 4.170 0.000 0.000 0.292 130 I C -2.598 173.513 176.117 -0.011 0.000 1.267 130 I CA -2.502 58.796 61.300 -0.004 0.000 1.036 130 I CB 1.517 39.511 38.000 -0.010 0.000 1.281 130 I HN 0.040 nan 8.210 nan 0.000 0.423 131 P HA 0.237 nan 4.420 nan 0.000 0.268 131 P C 0.164 177.447 177.300 -0.027 0.000 1.541 131 P CA -0.070 63.021 63.100 -0.015 0.000 1.093 131 P CB 1.009 32.705 31.700 -0.007 0.000 1.551 132 Q N 1.007 120.781 119.800 -0.044 0.000 2.407 132 Q HA -0.192 4.148 4.340 0.000 0.000 0.217 132 Q C 0.046 176.010 176.000 -0.060 0.000 1.000 132 Q CA 1.418 57.180 55.803 -0.068 0.000 0.940 132 Q CB 0.024 28.701 28.738 -0.101 0.000 0.930 132 Q HN 0.569 nan 8.270 nan 0.000 0.433 133 E N 0.048 120.221 120.200 -0.046 0.000 2.373 133 E HA 0.289 4.639 4.350 0.000 0.000 0.251 133 E C -1.312 175.277 176.600 -0.019 0.000 0.923 133 E CA -0.132 56.241 56.400 -0.045 0.000 0.798 133 E CB 1.210 30.869 29.700 -0.069 0.000 1.303 133 E HN 0.129 nan 8.360 nan 0.000 0.412 134 L N 2.687 123.912 121.223 0.003 0.000 2.296 134 L HA 0.504 4.844 4.340 0.000 0.000 0.286 134 L C -0.830 176.066 176.870 0.043 0.000 1.023 134 L CA -0.902 53.948 54.840 0.017 0.000 0.812 134 L CB 1.377 43.446 42.059 0.016 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 0.038 0.000 2.628 135 V HA 0.619 4.739 4.120 0.000 0.000 0.306 135 V C -0.614 175.505 176.094 0.042 0.000 1.045 135 V CA -0.521 61.813 62.300 0.056 0.000 0.905 135 V CB 2.165 34.018 31.823 0.051 0.000 0.997 135 V HN 0.487 nan 8.190 nan 0.000 0.436 136 V N 3.436 123.376 119.914 0.044 0.000 2.697 136 V HA 0.505 4.625 4.120 0.000 0.000 0.296 136 V C -1.599 174.511 176.094 0.026 0.000 1.140 136 V CA -0.646 61.672 62.300 0.031 0.000 0.921 136 V CB 2.117 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 0.019 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 53.812 54.000 0.013 0.000 0.930 137 D CB 2.104 42.914 40.800 0.016 0.000 1.395 137 D HN 0.466 nan 8.370 nan 0.000 0.536 138 V N 0.018 119.934 119.914 0.004 0.000 3.383 138 V HA -0.031 4.089 4.120 0.000 0.000 0.272 138 V C 1.038 177.131 176.094 -0.002 0.000 1.181 138 V CA 1.126 63.427 62.300 0.001 0.000 1.171 138 V CB -1.617 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 -2.877 111.676 114.554 -0.002 0.000 0.916 139 T HA -0.175 4.175 4.350 0.000 0.000 0.754 139 T C -0.124 174.570 174.700 -0.010 0.000 0.994 139 T CA 0.203 62.300 62.100 -0.005 0.000 3.979 139 T CB -1.387 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 0.385 120.777 120.400 -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 56.801 56.287 -0.019 0.000 1.880 140 K CB -0.959 31.527 32.500 -0.023 0.000 2.721 140 K HN 1.770 nan 8.250 nan 0.000 0.159 141 M N 0.179 119.764 119.600 -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 1.389 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 0.701 119.381 118.700 -0.034 0.000 5.607 142 N HA 0.331 5.071 4.740 0.000 0.000 0.241 142 N C -0.020 175.458 175.510 -0.053 0.000 1.111 142 N CA 0.073 53.103 53.050 -0.033 0.000 0.812 142 N CB 0.112 38.583 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 1.461 177.533 176.117 -0.075 0.000 0.929 143 I CA 1.749 63.020 61.300 -0.049 0.000 1.639 143 I CB -0.697 37.270 38.000 -0.057 0.000 1.365 143 I HN 0.840 nan 8.210 nan 0.000 0.279 144 G N 1.556 110.293 108.800 -0.105 0.000 3.562 144 G HA2 0.234 4.194 3.960 0.000 0.000 0.279 144 G HA3 0.234 4.194 3.960 0.000 0.000 0.279 144 G C -0.280 174.294 174.900 -0.544 0.000 1.314 144 G CA -0.080 44.921 45.100 -0.165 0.000 1.189 144 G HN 0.469 nan 8.290 nan 0.000 0.562 145 D N 0.669 120.755 120.400 -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 0.264 53.908 54.000 -0.593 0.000 0.967 145 D CB 1.062 41.716 40.800 -0.243 0.000 1.139 145 D HN 0.478 nan 8.370 nan 0.000 0.466 146 H N -1.460 117.592 119.070 -0.029 0.000 3.094 146 H HA 0.489 5.045 4.556 0.000 0.000 0.346 146 H C -0.792 174.508 175.328 -0.047 0.000 1.238 146 H CA -0.859 55.164 56.048 -0.040 0.000 1.209 146 H CB 1.371 31.109 29.762 -0.040 0.000 1.911 146 H HN 0.284 nan 8.280 nan 0.000 0.540 147 I N -0.353 120.249 120.570 0.053 0.000 2.647 147 I HA 0.886 5.056 4.170 0.000 0.000 0.295 147 I C -0.574 175.502 176.117 -0.068 0.000 1.078 147 I CA -0.514 60.781 61.300 -0.008 0.000 1.048 147 I CB 2.595 40.581 38.000 -0.024 0.000 1.239 147 I HN 0.854 nan 8.210 nan 0.000 0.421 148 T N 1.754 116.261 114.554 -0.078 0.000 2.606 148 T HA 0.712 5.062 4.350 0.000 0.000 0.289 148 T C 0.933 175.593 174.700 -0.067 0.000 1.113 148 T CA -0.075 61.934 62.100 -0.151 0.000 1.106 148 T CB 0.474 69.266 68.868 -0.127 0.000 1.611 148 T HN 1.085 nan 8.240 nan 0.000 0.471 149 A N 1.031 123.846 122.820 -0.008 0.000 2.977 149 A HA 0.206 4.526 4.320 0.000 0.000 0.202 149 A C 2.361 179.963 177.584 0.029 0.000 0.949 149 A CA 3.199 55.275 52.037 0.064 0.000 1.099 149 A CB -2.114 16.935 19.000 0.082 0.000 0.716 149 A HN 2.284 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 0.837 175.745 174.900 0.013 0.000 0.930 150 G CA 2.166 47.275 45.100 0.015 0.000 0.808 150 G HN 0.705 nan 8.290 nan 0.000 1.233 151 D N 0.811 121.215 120.400 0.006 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 1.604 55.607 54.000 0.005 0.000 0.871 151 D CB -0.531 40.268 40.800 -0.001 0.000 1.044 151 D HN 0.734 nan 8.370 nan 0.000 0.459 152 I N -1.652 118.923 120.570 0.009 0.000 4.907 152 I HA -0.459 3.711 4.170 0.000 0.000 0.038 152 I C -0.319 175.808 176.117 0.015 0.000 0.635 152 I CA 1.608 62.919 61.300 0.018 0.000 0.208 152 I CB -0.641 37.380 38.000 0.034 0.000 0.321 152 I HN 0.196 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 -1.193 175.417 176.600 0.016 0.000 0.675 153 K CA 0.132 56.428 56.287 0.014 0.000 0.760 153 K CB -0.440 32.067 32.500 0.012 0.000 3.444 153 K HN 0.489 nan 8.250 nan 0.000 0.136 154 L N 3.530 124.762 121.223 0.014 0.000 2.292 154 L HA 0.750 5.090 4.340 0.000 0.000 0.284 154 L C -1.768 175.108 176.870 0.010 0.000 1.065 154 L CA -1.175 53.673 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 0.324 nan 8.230 nan 0.000 0.431 155 P HA 0.313 nan 4.420 nan 0.000 0.285 155 P C -0.299 177.005 177.300 0.007 0.000 1.269 155 P CA -0.482 62.623 63.100 0.008 0.000 0.844 155 P CB 1.436 33.141 31.700 0.009 0.000 1.094 156 E N 1.387 121.591 120.200 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 1.504 57.907 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 0.005 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 0.004 0.000 0.335 157 G CA 0.387 45.489 45.100 0.005 0.000 1.186 157 G HN 0.557 nan 8.290 nan 0.000 0.190 158 C N 3.949 123.252 119.300 0.004 0.000 2.298 158 C HA 0.450 4.910 4.460 0.000 0.000 0.451 158 C C 1.504 176.496 174.990 0.003 0.000 1.028 158 C CA -0.158 58.862 59.018 0.004 0.000 1.324 158 C CB -1.049 26.694 27.740 0.004 0.000 1.534 158 C HN 0.927 nan 8.230 nan 0.000 0.528 159 T N 0.795 115.349 114.554 0.001 0.000 2.589 159 T HA 0.431 4.781 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 -0.001 0.000 1.734 159 T CB 0.048 68.914 68.868 -0.004 0.000 2.792 159 T HN 0.439 nan 8.240 nan 0.000 0.406 160 L N -0.489 120.731 121.223 -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 0.702 55.539 54.840 -0.005 0.000 1.827 160 L CB -2.271 39.789 42.059 0.002 0.000 1.659 160 L HN 0.524 nan 8.230 nan 0.000 0.510 161 A N -0.996 121.813 122.820 -0.018 0.000 2.343 161 A HA 0.050 4.370 4.320 0.000 0.000 0.219 161 A C 1.450 179.018 177.584 -0.028 0.000 1.214 161 A CA 2.570 54.593 52.037 -0.024 0.000 0.691 161 A CB -0.554 18.427 19.000 -0.032 0.000 0.826 161 A HN 1.142 nan 8.150 nan 0.000 0.511 162 A N -1.653 121.153 122.820 -0.023 0.000 2.637 162 A HA 0.680 5.000 4.320 0.000 0.000 0.258 162 A C 0.029 177.610 177.584 -0.005 0.000 1.250 162 A CA 0.036 52.059 52.037 -0.022 0.000 0.931 162 A CB 0.574 19.555 19.000 -0.032 0.000 1.488 162 A HN 0.301 nan 8.150 nan 0.000 0.464 163 D N -1.770 118.634 120.400 0.006 0.000 2.689 163 D HA 0.695 5.335 4.640 0.000 0.000 0.255 163 D C -2.695 173.623 176.300 0.030 0.000 1.113 163 D CA -1.257 52.752 54.000 0.014 0.000 1.115 163 D CB 1.525 42.332 40.800 0.011 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 -0.974 176.343 177.300 0.029 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 0.044 120.257 120.200 0.022 0.000 1.820 165 E HA -0.171 4.179 4.350 0.000 0.000 0.296 165 E C -0.876 175.736 176.600 0.021 0.000 1.702 165 E CA 1.056 57.464 56.400 0.013 0.000 1.076 165 E CB -0.643 29.062 29.700 0.009 0.000 0.745 165 E HN 0.391 nan 8.360 nan 0.000 0.333 166 L N 2.402 123.637 121.223 0.020 0.000 3.355 166 L HA -0.001 4.339 4.340 0.000 0.000 0.251 166 L C -0.093 176.815 176.870 0.064 0.000 0.980 166 L CA 0.575 55.449 54.840 0.056 0.000 1.051 166 L CB 1.237 43.354 42.059 0.097 0.000 1.710 166 L HN 0.667 nan 8.230 nan 0.000 0.469 167 T N 1.012 115.587 114.554 0.035 0.000 2.487 167 T HA -0.099 4.251 4.350 0.000 0.000 0.490 167 T C 0.978 174.986 174.700 -1.152 0.000 0.794 167 T CA 0.966 63.039 62.100 -0.045 0.000 3.697 167 T CB -1.363 67.676 68.868 0.285 0.000 0.878 167 T HN 0.447 nan 8.240 nan 0.000 0.259 168 V N 2.166 121.544 119.914 -0.894 0.000 2.502 168 V HA 0.440 4.560 4.120 0.000 0.000 0.234 168 V C 1.070 176.909 176.094 -0.425 0.000 1.072 168 V CA 0.734 62.447 62.300 -0.978 0.000 1.094 168 V CB 0.341 31.924 31.823 -0.401 0.000 0.761 168 V HN 0.889 nan 8.190 nan 0.000 0.489 169 V N 0.584 120.369 119.914 -0.214 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 62.128 62.300 -0.094 0.000 0.777 169 V CB 0.813 32.594 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 0.007 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 0.068 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 -0.506 119.464 119.914 0.094 0.000 2.407 171 V HA 0.767 4.887 4.120 0.000 0.000 0.291 171 V C -0.670 175.464 176.094 0.066 0.000 1.018 171 V CA -0.667 61.660 62.300 0.045 0.000 0.842 171 V CB 0.534 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 5.664 126.916 121.223 0.049 0.000 2.286 172 L HA 0.800 5.140 4.340 0.000 0.000 0.265 172 L C -2.392 174.492 176.870 0.024 0.000 1.012 172 L CA -2.487 52.381 54.840 0.047 0.000 0.818 172 L CB 3.281 45.363 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 -2.287 175.018 177.300 0.009 0.000 1.380 173 P CA -1.347 61.761 63.100 0.013 0.000 0.992 173 P CB 0.246 31.953 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 1.172 64.275 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 -2.446 118.057 120.500 0.005 0.000 3.643 175 R HA 0.361 4.701 4.340 0.000 0.000 0.069 175 R C 0.254 176.557 176.300 0.004 0.000 0.766 175 R CA 0.057 56.160 56.100 0.004 0.000 2.179 175 R CB 0.725 31.027 30.300 0.003 0.000 1.514 175 R HN 0.124 nan 8.270 nan 0.000 0.455 176 L N 1.704 122.929 121.223 0.004 0.000 2.781 176 L HA 0.348 4.688 4.340 0.000 0.000 0.256 176 L C -1.480 175.391 176.870 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