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 2b66_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 -0.806 175.796 176.600 0.003 0.000 1.360 2 E CA 1.464 57.869 56.400 0.008 0.000 1.303 2 E CB -0.816 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 1.065 122.303 121.223 0.025 0.000 3.157 3 L HA -0.237 4.103 4.340 0.000 0.000 0.475 3 L C 0.698 177.567 176.870 -0.001 0.000 1.004 3 L CA 1.424 56.275 54.840 0.018 0.000 1.012 3 L CB -1.289 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 0.296 114.865 114.554 0.026 0.000 2.676 4 T HA 0.972 5.322 4.350 0.000 0.000 0.269 4 T C 0.100 174.826 174.700 0.044 0.000 0.952 4 T CA -0.167 61.947 62.100 0.023 0.000 1.040 4 T CB 2.235 71.118 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 0.213 177.830 177.584 0.055 0.000 0.139 5 A CA 0.317 52.394 52.037 0.068 0.000 0.025 5 A CB -1.525 17.544 19.000 0.115 0.000 3.974 5 A HN 2.265 nan 8.150 nan 0.000 0.548 6 K N -2.251 118.177 120.400 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 56.568 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 -0.526 176.726 177.300 -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 32.028 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 -1.528 174.850 176.300 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 29.940 30.300 -0.014 0.000 1.571 8 R HN 0.402 nan 8.270 nan 0.000 0.583 9 T N -0.182 114.536 114.554 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 1.554 70.503 68.868 0.136 0.000 0.997 9 T HN 0.163 nan 8.240 nan 0.000 0.504 10 P HA 0.076 nan 4.420 nan 0.000 0.215 10 P C 1.437 178.742 177.300 0.009 0.000 1.144 10 P CA 0.635 63.733 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 0.792 121.221 120.400 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 1.369 57.679 56.287 0.038 0.000 0.992 11 K CB -1.400 31.125 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 2.383 178.380 176.000 -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 -0.192 4.128 4.320 0.000 0.000 0.223 13 K C 1.834 178.400 176.600 -0.057 0.000 1.052 13 K CA 1.471 57.757 56.287 -0.002 0.000 0.974 13 K CB -0.554 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 1.135 122.306 121.223 -0.088 0.000 2.886 14 L HA -0.186 4.154 4.340 0.000 0.000 0.248 14 L C -0.294 176.507 176.870 -0.115 0.000 1.197 14 L CA 0.614 55.364 54.840 -0.150 0.000 0.848 14 L CB -0.374 41.647 42.059 -0.064 0.000 1.020 14 L HN 0.372 nan 8.230 nan 0.000 0.464 15 D N -1.576 118.774 120.400 -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 1.296 121.448 120.200 -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 27.744 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 0.348 174.823 174.600 -0.209 0.000 1.050 17 S CA 0.328 58.434 58.200 -0.157 0.000 1.063 17 S CB 0.371 63.507 63.200 -0.106 0.000 1.039 17 S HN 0.246 nan 8.310 nan 0.000 0.580 18 M N 2.438 121.948 119.600 -0.150 0.000 2.125 18 M HA 0.512 4.992 4.480 0.000 0.000 0.321 18 M C -1.948 174.296 176.300 -0.094 0.000 0.983 18 M CA -0.723 54.520 55.300 -0.094 0.000 0.934 18 M CB 0.930 33.538 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 -0.081 0.000 2.392 19 I HA 0.489 4.659 4.170 0.000 0.000 0.295 19 I C 0.573 176.864 176.117 0.290 0.000 0.985 19 I CA -0.294 61.040 61.300 0.056 0.000 1.221 19 I CB 1.588 39.613 38.000 0.042 0.000 1.366 19 I HN 0.771 nan 8.210 nan 0.000 0.467 20 A N 4.687 127.501 122.820 -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 0.119 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 0.832 123.769 122.820 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 -0.506 18.466 19.000 -0.047 0.000 1.207 21 A HN 1.523 nan 8.150 nan 0.000 0.340 22 V N 1.071 121.210 119.914 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 0.644 63.134 62.300 0.315 0.000 1.155 22 V CB 1.363 33.370 31.823 0.307 0.000 0.975 22 V HN 1.663 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 0.371 4.691 4.320 0.000 0.000 0.306 23 A C -0.465 177.223 177.584 0.173 0.000 1.542 23 A CA -0.265 51.859 52.037 0.144 0.000 1.225 23 A CB -0.703 18.328 19.000 0.052 0.000 1.147 23 A HN 0.799 nan 8.150 nan 0.000 0.542 24 Y N 2.694 123.094 120.300 0.167 0.000 2.316 24 Y HA 0.449 4.999 4.550 0.000 0.000 0.331 24 Y C 0.131 176.083 175.900 0.086 0.000 1.083 24 Y CA -0.238 57.989 58.100 0.213 0.000 1.206 24 Y CB 0.713 39.367 38.460 0.323 0.000 1.195 24 Y HN 0.707 nan 8.280 nan 0.000 0.497 25 N N 4.176 123.133 118.700 0.428 0.000 2.504 25 N HA 0.071 4.811 4.740 0.000 0.000 0.268 25 N C -1.793 173.869 175.510 0.254 0.000 1.184 25 N CA -0.904 51.956 53.050 -0.318 0.000 0.875 25 N CB 1.606 39.862 38.487 -0.385 0.000 1.630 25 N HN 0.653 nan 8.380 nan 0.000 0.486 26 K N 2.104 122.654 120.400 0.250 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 0.053 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 0.774 121.019 120.200 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 0.834 57.232 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 1.059 119.734 118.700 -0.043 0.000 2.331 28 N HA 0.502 5.242 4.740 0.000 0.000 0.280 28 N C -1.286 174.160 175.510 -0.106 0.000 1.155 28 N CA -0.706 52.300 53.050 -0.074 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 -0.701 117.922 118.700 -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 40.450 38.487 -0.221 0.000 1.463 29 N HN 0.403 nan 8.380 nan 0.000 0.518 30 V N -0.093 119.775 119.914 -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 61.186 62.300 -0.082 0.000 0.931 30 V CB 1.370 33.163 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 -0.199 0.000 2.904 31 S HA -0.131 4.339 4.470 0.000 0.000 0.353 31 S C -0.083 174.374 174.600 -0.237 0.000 1.213 31 S CA 0.646 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 2.331 122.307 119.950 0.043 0.000 2.427 32 F HA 0.725 5.252 4.527 -0.000 0.000 0.352 32 F C 0.577 176.397 175.800 0.032 0.000 1.100 32 F CA -0.662 57.369 58.000 0.051 0.000 1.191 32 F CB -0.116 38.939 39.000 0.091 0.000 1.128 32 F HN 0.679 nan 8.300 nan 0.000 0.533 33 A N 3.056 125.999 122.820 0.204 0.000 3.969 33 A HA 0.946 5.266 4.320 0.000 0.000 0.168 33 A C 0.090 177.707 177.584 0.056 0.000 0.806 33 A CA -0.115 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 -4.053 117.169 121.223 -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 1.080 55.882 54.840 -0.063 0.000 1.239 34 L CB -1.796 39.999 42.059 -0.439 0.000 3.097 34 L HN 1.824 nan 8.230 nan 0.000 1.221 35 D N -0.298 120.653 120.400 0.918 0.000 3.109 35 D HA 0.085 4.725 4.640 0.000 0.000 0.266 35 D C -1.235 174.303 176.300 -1.271 0.000 0.926 35 D CA 0.027 54.378 54.000 0.585 0.000 0.838 35 D CB 0.445 41.424 40.800 0.299 0.000 3.234 35 D HN 0.767 nan 8.370 nan 0.000 0.507 36 R N 2.485 122.261 120.500 -1.207 0.000 4.138 36 R HA 0.356 4.696 4.340 0.000 0.000 0.206 36 R C 0.657 176.492 176.300 -0.775 0.000 1.667 36 R CA -0.210 55.013 56.100 -1.461 0.000 1.481 36 R CB 0.405 30.264 30.300 -0.735 0.000 1.388 36 R HN 0.375 nan 8.270 nan 0.000 0.776 37 K N -0.291 119.722 120.400 -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 -0.521 31.891 32.500 -0.146 0.000 2.378 37 K HN 0.178 nan 8.250 nan 0.000 0.491 38 A N 1.012 123.920 122.820 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 1.611 53.834 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 1.361 121.100 119.950 -0.352 0.000 2.065 39 F HA -0.432 4.095 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 1.091 57.681 58.000 -2.350 0.000 1.288 39 F CB -1.540 36.324 39.000 -1.893 0.000 0.963 39 F HN 0.305 nan 8.300 nan 0.000 0.496 40 D N 0.450 120.719 120.400 -0.220 0.000 1.440 40 D HA -0.168 4.472 4.640 0.000 0.000 0.325 40 D C 1.510 177.905 176.300 0.159 0.000 1.491 40 D CA 1.114 55.096 54.000 -0.031 0.000 1.210 40 D CB -0.815 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 0.537 121.117 120.500 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 2.459 58.659 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 -0.082 122.938 122.820 0.333 0.000 1.877 42 A HA -0.297 4.023 4.320 0.000 0.000 0.218 42 A C 2.178 179.978 177.584 0.360 0.000 1.301 42 A CA 2.585 54.835 52.037 0.354 0.000 0.699 42 A CB -1.391 17.841 19.000 0.387 0.000 0.844 42 A HN 0.451 nan 8.150 nan 0.000 0.464 43 F N -0.281 119.762 119.950 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 1.962 60.037 58.000 0.126 0.000 1.241 43 F CB -0.513 38.587 39.000 0.166 0.000 0.959 43 F HN 0.213 nan 8.300 nan 0.000 0.499 44 R N 0.258 120.954 120.500 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 1.778 57.988 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 0.577 176.598 176.000 0.035 0.000 0.994 45 Q CA 1.986 57.835 55.803 0.076 0.000 0.857 45 Q CB 0.004 28.788 28.738 0.076 0.000 0.925 45 Q HN 0.650 nan 8.270 nan 0.000 0.421 46 Q N -2.437 117.370 119.800 0.012 0.000 3.661 46 Q HA 0.274 4.614 4.340 0.000 0.000 0.150 46 Q C -0.760 175.198 176.000 -0.070 0.000 0.645 46 Q CA -0.131 55.658 55.803 -0.023 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 0.779 116.435 115.700 -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 1.124 59.223 58.200 -0.169 0.000 1.178 47 S CB -0.103 62.994 63.200 -0.172 0.000 0.735 47 S HN 0.621 nan 8.310 nan 0.000 0.442 48 T N 1.834 116.278 114.554 -0.183 0.000 2.466 48 T HA -0.104 4.246 4.350 0.000 0.000 0.419 48 T C 1.128 175.765 174.700 -0.106 0.000 0.885 48 T CA 1.262 63.273 62.100 -0.147 0.000 3.945 48 T CB -1.595 67.185 68.868 -0.146 0.000 0.543 48 T HN 0.831 nan 8.240 nan 0.000 0.197 49 T N -3.797 110.692 114.554 -0.108 0.000 3.131 49 T HA 0.456 4.806 4.350 0.000 0.000 0.283 49 T C 1.320 175.956 174.700 -0.107 0.000 0.906 49 T CA 0.116 62.166 62.100 -0.084 0.000 0.882 49 T CB 0.865 69.698 68.868 -0.058 0.000 1.208 49 T HN 0.467 nan 8.240 nan 0.000 0.561 50 G N 0.970 109.679 108.800 -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 -0.671 174.089 174.900 -0.234 0.000 1.467 50 G CA 0.208 45.186 45.100 -0.203 0.000 0.806 50 G HN 0.826 nan 8.290 nan 0.000 0.709 51 L N -1.271 119.750 121.223 -0.337 0.000 5.464 51 L HA 0.156 4.496 4.340 0.000 0.000 0.236 51 L C -1.447 175.224 176.870 -0.332 0.000 1.076 51 L CA -0.591 54.104 54.840 -0.242 0.000 0.721 51 L CB -0.143 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 1.746 121.704 119.950 0.013 0.000 2.112 52 F HA 0.687 5.214 4.527 -0.000 0.000 0.219 52 F C -0.096 175.730 175.800 0.043 0.000 1.309 52 F CA 0.631 58.646 58.000 0.025 0.000 1.157 52 F CB -0.153 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 -1.284 119.295 120.400 0.298 0.000 3.302 53 D HA 0.390 5.030 4.640 0.000 0.000 0.302 53 D C -2.077 174.269 176.300 0.078 0.000 1.026 53 D CA -0.348 53.751 54.000 0.165 0.000 0.712 53 D CB 0.315 41.200 40.800 0.140 0.000 1.610 53 D HN 0.134 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 0.174 176.288 176.117 -0.006 0.000 1.063 54 I CA -0.354 60.950 61.300 0.007 0.000 1.033 54 I CB 2.202 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 3.684 118.227 114.554 -0.018 0.000 3.016 55 T HA 0.355 4.705 4.350 0.000 0.000 0.335 55 T C -0.435 174.257 174.700 -0.012 0.000 1.176 55 T CA -0.250 61.837 62.100 -0.021 0.000 0.987 55 T CB -0.166 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 4.934 124.844 119.914 -0.007 0.000 2.304 56 V HA 0.249 4.369 4.120 0.000 0.000 0.269 56 V C 0.434 176.527 176.094 -0.001 0.000 1.036 56 V CA -0.609 61.689 62.300 -0.003 0.000 0.840 56 V CB 0.106 31.927 31.823 -0.003 0.000 1.036 56 V HN 0.850 nan 8.190 nan 0.000 0.466 57 E N 3.271 123.470 120.200 -0.003 0.000 2.694 57 E HA -0.262 4.088 4.350 0.000 0.000 0.272 57 E C 1.466 178.063 176.600 -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 -0.649 108.144 108.800 -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 1.424 176.316 174.900 -0.013 0.000 0.990 58 G CA 1.875 46.962 45.100 -0.020 0.000 0.647 58 G HN 1.077 nan 8.290 nan 0.000 0.561 59 G N 0.484 109.286 108.800 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 0.040 0.000 0.940 59 G CA 1.379 46.492 45.100 0.022 0.000 0.741 59 G HN 0.984 nan 8.290 nan 0.000 1.302 60 E N 0.273 120.513 120.200 0.068 0.000 2.518 60 E HA 0.380 4.730 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 -0.123 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 0.396 nan 8.360 nan 0.000 0.408 61 T N 0.322 114.766 114.554 -0.183 0.000 3.162 61 T HA 0.263 4.613 4.350 0.000 0.000 0.264 61 T C -0.268 174.186 174.700 -0.409 0.000 0.959 61 T CA -0.005 61.964 62.100 -0.218 0.000 1.118 61 T CB -0.842 67.897 68.868 -0.214 0.000 0.979 61 T HN 0.171 nan 8.240 nan 0.000 0.679 62 F N 3.479 123.443 119.950 0.024 0.000 2.611 62 F HA 0.680 5.207 4.527 -0.000 0.000 0.324 62 F C -2.271 173.558 175.800 0.047 0.000 1.061 62 F CA -2.574 55.443 58.000 0.029 0.000 0.954 62 F CB 2.640 41.645 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 -0.715 176.662 177.300 0.129 0.000 1.307 63 P CA 0.141 63.351 63.100 0.184 0.000 0.814 63 P CB 2.580 34.376 31.700 0.160 0.000 1.311 64 A N -2.162 120.707 122.820 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 0.533 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 -2.573 118.680 121.223 0.050 0.000 5.352 65 L HA -0.320 4.020 4.340 0.000 0.000 0.053 65 L C 1.047 177.656 176.870 -0.435 0.000 2.872 65 L CA 1.820 56.642 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 0.419 119.922 119.914 -0.684 0.000 2.472 66 V HA 0.417 4.537 4.120 0.000 0.000 0.290 66 V C 0.408 176.277 176.094 -0.376 0.000 1.037 66 V CA 0.200 62.038 62.300 -0.770 0.000 0.908 66 V CB 1.566 32.859 31.823 -0.883 0.000 0.985 66 V HN 0.574 nan 8.190 nan 0.000 0.454 67 K N 4.715 124.934 120.400 -0.302 0.000 2.506 67 K HA 0.776 5.096 4.320 0.000 0.000 0.204 67 K C -0.435 176.048 176.600 -0.195 0.000 1.045 67 K CA 0.579 56.727 56.287 -0.233 0.000 1.074 67 K CB 0.614 32.952 32.500 -0.271 0.000 0.842 67 K HN 1.054 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 -1.277 176.275 177.584 -0.053 0.000 1.010 68 A CA -0.164 51.815 52.037 -0.096 0.000 0.613 68 A CB 0.532 19.490 19.000 -0.070 0.000 1.363 68 A HN 0.241 nan 8.150 nan 0.000 0.463 69 V N -1.400 118.522 119.914 0.014 0.000 2.907 69 V HA 0.445 4.565 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 62.069 62.300 0.079 0.000 0.891 69 V CB 0.864 32.750 31.823 0.104 0.000 1.208 69 V HN 2.297 nan 8.190 nan 0.000 0.369 70 Q N -0.095 119.776 119.800 0.118 0.000 2.872 70 Q HA 0.346 4.686 4.340 0.000 0.000 0.221 70 Q C -0.964 175.102 176.000 0.110 0.000 0.998 70 Q CA -0.483 55.380 55.803 0.099 0.000 1.078 70 Q CB 0.889 29.675 28.738 0.081 0.000 1.890 70 Q HN 0.816 nan 8.270 nan 0.000 0.512 71 M N 2.153 121.807 119.600 0.090 0.000 2.682 71 M HA -0.052 4.428 4.480 0.000 0.000 0.235 71 M C 0.381 176.715 176.300 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 0.825 121.264 120.400 0.065 0.000 1.984 72 D HA -0.290 4.350 4.640 0.000 0.000 0.626 72 D C 0.332 176.659 176.300 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 1.117 121.547 120.400 0.050 0.000 2.328 73 K HA -0.234 4.086 4.320 0.000 0.000 0.237 73 K C 1.634 178.249 176.600 0.025 0.000 1.157 73 K CA 1.499 57.807 56.287 0.036 0.000 1.138 73 K CB -0.114 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 2.450 122.961 120.500 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 58.163 56.100 0.013 0.000 0.916 74 R CB -0.790 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 -0.278 4.042 4.320 0.000 0.000 0.210 75 K C 0.068 176.669 176.600 0.002 0.000 1.036 75 K CA 1.951 58.239 56.287 0.001 0.000 0.934 75 K CB -0.488 32.009 32.500 -0.005 0.000 0.765 75 K HN 0.172 nan 8.250 nan 0.000 0.485 76 R N -0.742 119.762 120.500 0.007 0.000 3.328 76 R HA -0.075 4.265 4.340 0.000 0.000 0.287 76 R C -0.991 175.313 176.300 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 27.789 30.300 0.011 0.000 1.380 76 R HN 0.594 nan 8.270 nan 0.000 0.428 77 A N 0.958 123.778 122.820 -0.001 0.000 2.605 77 A HA 0.619 4.939 4.320 0.000 0.000 0.293 77 A C -2.144 175.430 177.584 -0.017 0.000 1.216 77 A CA -1.335 50.691 52.037 -0.019 0.000 0.742 77 A CB 1.351 20.325 19.000 -0.042 0.000 1.170 77 A HN -0.095 nan 8.150 nan 0.000 0.443 78 P HA 0.209 nan 4.420 nan 0.000 0.271 78 P C -0.389 176.908 177.300 -0.005 0.000 1.212 78 P CA 0.500 63.626 63.100 0.044 0.000 0.788 78 P CB 0.550 32.312 31.700 0.102 0.000 0.865 79 I N 1.033 121.606 120.570 0.006 0.000 2.693 79 I HA 0.115 4.285 4.170 0.000 0.000 0.271 79 I C -1.019 174.929 176.117 -0.281 0.000 1.408 79 I CA -0.428 60.739 61.300 -0.222 0.000 1.179 79 I CB 0.433 38.246 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 0.087 0.000 3.864 80 H HA 0.004 4.560 4.556 -0.000 0.000 0.397 80 H C -1.108 174.299 175.328 0.133 0.000 1.391 80 H CA -0.341 55.739 56.048 0.054 0.000 1.592 80 H CB -0.835 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 0.736 120.814 119.914 0.274 0.000 3.211 81 V HA 0.465 4.585 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 -0.389 62.098 62.300 0.311 0.000 1.029 81 V CB 2.094 34.178 31.823 0.434 0.000 1.137 81 V HN 0.585 nan 8.190 nan 0.000 0.453 82 D N -0.187 120.374 120.400 0.268 0.000 2.362 82 D HA 0.616 5.256 4.640 0.000 0.000 0.247 82 D C -1.604 174.792 176.300 0.160 0.000 1.050 82 D CA -0.080 54.071 54.000 0.250 0.000 0.839 82 D CB 1.314 42.183 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 0.387 4.914 4.527 0.000 0.000 0.319 83 F C -1.330 174.614 175.800 0.241 0.000 1.154 83 F CA -0.828 57.253 58.000 0.135 0.000 0.931 83 F CB 1.587 40.634 39.000 0.079 0.000 1.198 83 F HN 0.238 nan 8.300 nan 0.000 0.444 84 Y N 4.852 125.207 120.300 0.092 0.000 2.433 84 Y HA 0.657 5.207 4.550 -0.000 0.000 0.337 84 Y C -0.891 175.027 175.900 0.030 0.000 1.026 84 Y CA -1.001 57.134 58.100 0.058 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 3.601 122.995 119.600 -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 -0.161 0.000 3.266 86 V HA 0.048 4.168 4.120 0.000 0.000 0.246 86 V C 0.154 176.208 176.094 -0.066 0.000 0.914 86 V CA -0.554 61.681 62.300 -0.108 0.000 1.015 86 V CB 0.795 32.642 31.823 0.040 0.000 0.975 86 V HN 1.006 nan 8.190 nan 0.000 0.512 87 T N -0.886 113.509 114.554 -0.264 0.000 3.278 87 T HA 0.318 4.668 4.350 0.000 0.000 0.251 87 T C 0.025 174.796 174.700 0.117 0.000 1.039 87 T CA 0.302 62.255 62.100 -0.244 0.000 0.935 87 T CB -0.265 67.900 68.868 -1.173 0.000 1.034 87 T HN 0.311 nan 8.240 nan 0.000 0.575 88 Y N 0.150 120.397 120.300 -0.090 0.000 2.568 88 Y HA 0.643 5.193 4.550 0.000 0.000 0.327 88 Y C 1.219 177.118 175.900 -0.002 0.000 1.163 88 Y CA -1.549 56.528 58.100 -0.040 0.000 1.219 88 Y CB 1.588 40.027 38.460 -0.034 0.000 1.308 88 Y HN 0.117 nan 8.280 nan 0.000 0.503 89 G N 0.479 109.293 108.800 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 0.418 175.350 174.900 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 0.103 120.377 120.200 0.124 0.000 2.514 90 E HA 0.184 4.534 4.350 0.000 0.000 0.215 90 E C -1.820 174.829 176.600 0.081 0.000 0.946 90 E CA -0.678 55.791 56.400 0.115 0.000 1.038 90 E CB 0.189 30.002 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 -0.201 177.117 177.300 0.029 0.000 1.115 91 P CA 0.565 63.699 63.100 0.056 0.000 0.799 91 P CB 0.730 32.461 31.700 0.051 0.000 0.721 92 V N 3.458 123.381 119.914 0.015 0.000 3.949 92 V HA 0.063 4.183 4.120 0.000 0.000 0.195 92 V C 1.149 177.230 176.094 -0.022 0.000 1.114 92 V CA -0.004 62.294 62.300 -0.004 0.000 1.384 92 V CB -1.032 30.787 31.823 -0.007 0.000 1.685 92 V HN 0.401 nan 8.190 nan 0.000 0.492 93 E N 1.487 121.666 120.200 -0.034 0.000 2.888 93 E HA -0.152 4.198 4.350 0.000 0.000 0.225 93 E C -1.017 175.553 176.600 -0.050 0.000 1.014 93 E CA -0.167 56.200 56.400 -0.056 0.000 0.875 93 E CB -0.457 29.190 29.700 -0.088 0.000 1.034 93 E HN 0.315 nan 8.360 nan 0.000 0.432 94 V N 3.222 123.112 119.914 -0.040 0.000 2.313 94 V HA 0.137 4.258 4.120 0.000 0.000 0.278 94 V C -0.184 175.884 176.094 -0.044 0.000 1.017 94 V CA -0.626 61.651 62.300 -0.037 0.000 0.823 94 V CB 1.735 33.544 31.823 -0.023 0.000 1.010 94 V HN 0.283 nan 8.190 nan 0.000 0.443 95 S N 4.454 120.122 115.700 -0.054 0.000 2.512 95 S HA 0.566 5.037 4.470 0.000 0.000 0.291 95 S C -0.199 174.373 174.600 -0.048 0.000 1.151 95 S CA -0.413 57.754 58.200 -0.055 0.000 1.120 95 S CB 1.071 64.231 63.200 -0.067 0.000 1.029 95 S HN 0.433 nan 8.310 nan 0.000 0.485 96 V N 5.161 125.054 119.914 -0.035 0.000 2.815 96 V HA 0.567 4.687 4.120 0.000 0.000 0.314 96 V C -1.985 174.106 176.094 -0.004 0.000 1.064 96 V CA -2.192 60.093 62.300 -0.025 0.000 0.952 96 V CB 1.890 33.697 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 -1.285 176.075 177.300 0.101 0.000 1.293 97 P CA -0.194 62.949 63.100 0.072 0.000 0.770 97 P CB 1.011 32.789 31.700 0.129 0.000 1.206 98 V N -0.579 119.431 119.914 0.160 0.000 2.789 98 V HA 0.297 4.417 4.120 0.000 0.000 0.300 98 V C -0.931 175.257 176.094 0.158 0.000 1.184 98 V CA -0.476 61.911 62.300 0.146 0.000 0.930 98 V CB 1.375 33.241 31.823 0.071 0.000 1.041 98 V HN 0.594 nan 8.190 nan 0.000 0.430 99 H N 1.229 120.305 119.070 0.011 0.000 2.679 99 H HA 0.783 5.339 4.556 -0.000 0.000 0.367 99 H C 0.573 175.908 175.328 0.011 0.000 1.162 99 H CA 0.280 56.335 56.048 0.011 0.000 1.181 99 H CB 2.255 32.021 29.762 0.007 0.000 1.693 99 H HN 0.872 nan 8.280 nan 0.000 0.538 100 T N -1.698 112.898 114.554 0.071 0.000 3.753 100 T HA 0.341 4.691 4.350 0.000 0.000 0.299 100 T C 0.438 175.177 174.700 0.066 0.000 1.202 100 T CA 0.627 62.755 62.100 0.047 0.000 0.945 100 T CB 0.270 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 -1.715 112.865 114.554 0.042 0.000 3.719 101 T HA 0.498 4.848 4.350 0.000 0.000 0.285 101 T C 1.095 175.812 174.700 0.029 0.000 0.963 101 T CA 0.226 62.351 62.100 0.041 0.000 1.154 101 T CB 0.179 69.065 68.868 0.030 0.000 1.123 101 T HN 1.142 nan 8.240 nan 0.000 0.448 102 G N 1.393 110.204 108.800 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 44.328 45.100 0.013 0.000 0.854 102 G HN 0.314 nan 8.290 nan 0.000 0.632 103 R N 1.869 122.374 120.500 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 -0.239 30.063 30.300 0.003 0.000 0.950 103 R HN 0.690 nan 8.270 nan 0.000 0.386 104 S N 2.182 117.883 115.700 0.001 0.000 2.448 104 S HA 0.284 4.754 4.470 0.000 0.000 0.279 104 S C 0.211 174.809 174.600 -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 0.696 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 0.656 175.553 174.900 -0.005 0.000 1.134 106 G CA 0.228 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 0.946 121.144 120.200 -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 0.074 56.474 56.400 -0.001 0.000 1.027 107 E CB -0.992 28.708 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 1.426 63.727 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 0.322 nan 8.190 nan 0.000 0.486 109 Q N -1.164 118.635 119.800 -0.001 0.000 1.969 109 Q HA 0.102 4.442 4.340 0.000 0.000 0.177 109 Q C 1.804 177.802 176.000 -0.003 0.000 0.686 109 Q CA 0.535 56.337 55.803 -0.002 0.000 0.788 109 Q CB 0.388 29.124 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 0.364 4.324 3.960 0.000 0.000 0.232 110 G HA3 0.364 4.324 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 0.480 109.279 108.800 -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 0.799 175.700 174.900 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 0.280 4.620 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 0.916 55.757 54.840 0.001 0.000 0.834 112 L CB 0.404 42.462 42.059 -0.001 0.000 1.085 112 L HN 0.231 nan 8.230 nan 0.000 0.545 113 V N -0.193 119.724 119.914 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 -0.338 61.965 62.300 0.004 0.000 0.974 113 V CB 2.024 33.849 31.823 0.004 0.000 1.188 113 V HN 0.979 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 0.311 4.951 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 53.744 54.000 0.009 0.000 0.808 114 D CB 0.744 41.545 40.800 0.003 0.000 1.780 114 D HN 0.393 nan 8.370 nan 0.000 0.537 115 I N 0.838 121.408 120.570 0.000 0.000 2.581 115 I HA 0.285 4.455 4.170 0.000 0.000 0.288 115 I C 0.399 176.505 176.117 -0.018 0.000 1.047 115 I CA -0.989 60.305 61.300 -0.009 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 7.493 127.398 119.914 -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 -0.144 62.149 62.300 -0.011 0.000 1.114 116 V CB 1.008 32.817 31.823 -0.023 0.000 1.378 116 V HN 0.636 nan 8.190 nan 0.000 0.573 117 V N 2.612 122.548 119.914 0.037 0.000 3.244 117 V HA -0.166 3.954 4.120 0.000 0.000 0.273 117 V C 1.805 178.003 176.094 0.173 0.000 1.180 117 V CA 2.065 64.412 62.300 0.078 0.000 1.182 117 V CB -1.454 30.411 31.823 0.070 0.000 0.796 117 V HN 0.838 nan 8.190 nan 0.000 0.543 118 H N -0.695 118.356 119.070 -0.032 0.000 2.342 118 H HA 0.208 4.764 4.556 0.000 0.000 0.334 118 H C 2.090 177.395 175.328 -0.039 0.000 1.207 118 H CA 0.855 56.884 56.048 -0.031 0.000 1.810 118 H CB -0.228 29.517 29.762 -0.028 0.000 1.530 118 H HN 0.288 nan 8.280 nan 0.000 0.618 119 N N -0.739 118.019 118.700 0.096 0.000 3.371 119 N HA -0.229 4.511 4.740 0.000 0.000 0.225 119 N C 0.011 175.517 175.510 -0.006 0.000 0.158 119 N CA 2.152 55.195 53.050 -0.012 0.000 3.732 119 N CB -1.529 36.941 38.487 -0.029 0.000 1.091 119 N HN 0.308 nan 8.380 nan 0.000 0.250 120 L N -0.598 120.610 121.223 -0.026 0.000 2.600 120 L HA 0.566 4.906 4.340 0.000 0.000 0.221 120 L C -0.075 176.749 176.870 -0.077 0.000 1.197 120 L CA -0.390 54.427 54.840 -0.039 0.000 0.838 120 L CB 0.190 42.219 42.059 -0.050 0.000 1.474 120 L HN 0.376 nan 8.230 nan 0.000 0.514 121 Q N 0.251 120.007 119.800 -0.073 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 -0.067 0.000 0.865 121 Q CA 0.063 55.818 55.803 -0.081 0.000 0.779 121 Q CB 1.038 29.754 28.738 -0.037 0.000 1.500 121 Q HN 0.485 nan 8.270 nan 0.000 0.462 122 I N 2.650 123.171 120.570 -0.082 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 0.134 61.393 61.300 -0.068 0.000 1.352 122 I CB -0.484 37.471 38.000 -0.075 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 -0.161 175.918 176.094 -0.025 0.000 1.389 123 V CA -0.678 61.603 62.300 -0.031 0.000 0.964 123 V CB 1.724 33.534 31.823 -0.022 0.000 1.227 123 V HN 0.582 nan 8.190 nan 0.000 0.474 124 A N 1.181 123.991 122.820 -0.016 0.000 3.044 124 A HA 0.726 5.046 4.320 0.000 0.000 0.289 124 A C -2.512 175.070 177.584 -0.003 0.000 1.236 124 A CA -0.718 51.313 52.037 -0.010 0.000 0.871 124 A CB -0.189 18.805 19.000 -0.010 0.000 1.424 124 A HN 0.681 nan 8.150 nan 0.000 0.564 125 P HA 0.235 nan 4.420 nan 0.000 0.341 125 P C 0.878 178.182 177.300 0.006 0.000 1.407 125 P CA 0.205 63.306 63.100 0.002 0.000 0.837 125 P CB 0.250 31.951 31.700 0.001 0.000 2.024 126 G N 0.792 109.597 108.800 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 -0.710 44.396 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 0.662 177.982 177.300 0.034 0.000 1.167 127 P CA 0.473 63.592 63.100 0.031 0.000 0.759 127 P CB 0.307 32.031 31.700 0.040 0.000 0.777 128 R N 0.563 121.088 120.500 0.042 0.000 3.118 128 R HA -0.241 4.099 4.340 0.000 0.000 0.238 128 R C -0.134 176.185 176.300 0.032 0.000 0.884 128 R CA 0.753 56.880 56.100 0.045 0.000 0.601 128 R CB -1.341 28.998 30.300 0.065 0.000 1.009 128 R HN 0.466 nan 8.270 nan 0.000 0.478 129 R N 0.469 120.982 120.500 0.021 0.000 3.107 129 R HA 0.186 4.526 4.340 0.000 0.000 0.224 129 R C -1.003 175.301 176.300 0.007 0.000 1.734 129 R CA -0.538 55.571 56.100 0.014 0.000 1.303 129 R CB 0.521 30.830 30.300 0.014 0.000 1.570 129 R HN 0.278 nan 8.270 nan 0.000 0.606 130 I N -1.214 119.357 120.570 0.002 0.000 2.722 130 I HA 0.520 4.690 4.170 0.000 0.000 0.292 130 I C -2.596 173.515 176.117 -0.010 0.000 1.267 130 I CA -2.500 58.797 61.300 -0.005 0.000 1.036 130 I CB 1.512 39.506 38.000 -0.010 0.000 1.281 130 I HN 0.040 nan 8.210 nan 0.000 0.423 131 P HA 0.239 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 -0.073 63.019 63.100 -0.013 0.000 1.093 131 P CB 1.015 32.711 31.700 -0.007 0.000 1.551 132 Q N 1.008 120.785 119.800 -0.039 0.000 2.407 132 Q HA -0.192 4.148 4.340 0.000 0.000 0.217 132 Q C 0.046 176.013 176.000 -0.054 0.000 1.000 132 Q CA 1.418 57.185 55.803 -0.060 0.000 0.940 132 Q CB 0.025 28.711 28.738 -0.087 0.000 0.930 132 Q HN 0.569 nan 8.270 nan 0.000 0.433 133 E N 0.047 120.222 120.200 -0.042 0.000 2.373 133 E HA 0.289 4.639 4.350 0.000 0.000 0.251 133 E C -1.312 175.278 176.600 -0.017 0.000 0.923 133 E CA -0.132 56.243 56.400 -0.043 0.000 0.798 133 E CB 1.213 30.873 29.700 -0.066 0.000 1.303 133 E HN 0.129 nan 8.360 nan 0.000 0.412 134 L N 2.690 123.916 121.223 0.005 0.000 2.296 134 L HA 0.505 4.845 4.340 0.000 0.000 0.286 134 L C -0.831 176.065 176.870 0.043 0.000 1.023 134 L CA -0.902 53.949 54.840 0.019 0.000 0.812 134 L CB 1.379 43.448 42.059 0.017 0.000 1.223 134 L HN 0.161 nan 8.230 nan 0.000 0.421 135 V N 5.145 125.083 119.914 0.039 0.000 2.628 135 V HA 0.619 4.739 4.120 0.000 0.000 0.306 135 V C -0.615 175.504 176.094 0.042 0.000 1.045 135 V CA -0.520 61.814 62.300 0.057 0.000 0.905 135 V CB 2.165 34.019 31.823 0.051 0.000 0.997 135 V HN 0.487 nan 8.190 nan 0.000 0.436 136 V N 3.434 123.375 119.914 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 -0.647 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 0.020 0.000 2.411 137 D HA 0.140 4.780 4.640 0.000 0.000 0.239 137 D C 0.762 177.066 176.300 0.008 0.000 1.307 137 D CA -0.196 53.812 54.000 0.013 0.000 0.930 137 D CB 2.101 42.911 40.800 0.016 0.000 1.395 137 D HN 0.466 nan 8.370 nan 0.000 0.536 138 V N 0.016 119.932 119.914 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 1.129 63.429 62.300 0.001 0.000 1.171 138 V CB -1.618 30.204 31.823 -0.001 0.000 0.800 138 V HN 0.803 nan 8.190 nan 0.000 0.515 139 T N -2.879 111.674 114.554 -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 0.204 62.301 62.100 -0.005 0.000 3.979 139 T CB -1.387 67.479 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 0.284 4.604 4.320 0.000 0.000 0.697 140 K C -0.575 176.013 176.600 -0.021 0.000 2.469 140 K CA 0.524 56.800 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 0.180 119.765 119.600 -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 33.979 32.600 -0.014 0.000 1.851 141 M HN 0.750 nan 8.290 nan 0.000 0.544 142 N N 0.702 119.381 118.700 -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 53.104 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 -0.396 120.149 120.570 -0.041 0.000 5.050 143 I HA -0.348 3.822 4.170 0.000 0.000 0.087 143 I C 1.459 177.531 176.117 -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 0.839 nan 8.210 nan 0.000 0.279 144 G N 1.560 110.296 108.800 -0.105 0.000 3.562 144 G HA2 0.236 4.196 3.960 0.000 0.000 0.279 144 G HA3 0.236 4.196 3.960 0.000 0.000 0.279 144 G C -0.282 174.292 174.900 -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 0.671 120.757 120.400 -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 1.063 41.717 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 0.488 5.044 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 55.165 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 0.054 0.000 2.647 147 I HA 0.885 5.055 4.170 0.000 0.000 0.295 147 I C -0.573 175.503 176.117 -0.068 0.000 1.078 147 I CA -0.514 60.781 61.300 -0.008 0.000 1.048 147 I CB 2.593 40.579 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 0.933 175.593 174.700 -0.066 0.000 1.113 148 T CA -0.075 61.935 62.100 -0.151 0.000 1.106 148 T CB 0.475 69.268 68.868 -0.127 0.000 1.611 148 T HN 1.085 nan 8.240 nan 0.000 0.471 149 A N 1.030 123.846 122.820 -0.008 0.000 2.977 149 A HA 0.206 4.526 4.320 0.000 0.000 0.202 149 A C 2.361 179.962 177.584 0.029 0.000 0.949 149 A CA 3.199 55.275 52.037 0.065 0.000 1.099 149 A CB -2.115 16.934 19.000 0.082 0.000 0.716 149 A HN 2.285 nan 8.150 nan 0.000 0.540 150 G N -0.513 108.301 108.800 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 0.837 175.744 174.900 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 0.007 0.000 2.286 151 D HA -0.121 4.519 4.640 0.000 0.000 0.197 151 D C 2.153 178.458 176.300 0.009 0.000 1.015 151 D CA 1.606 55.608 54.000 0.005 0.000 0.871 151 D CB -0.532 40.267 40.800 -0.001 0.000 1.044 151 D HN 0.734 nan 8.370 nan 0.000 0.459 152 I N -1.650 118.926 120.570 0.009 0.000 4.907 152 I HA -0.459 3.711 4.170 0.000 0.000 0.038 152 I C -0.316 175.810 176.117 0.016 0.000 0.635 152 I CA 1.612 62.923 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 0.196 nan 8.210 nan 0.000 0.150 153 K N 0.225 120.636 120.400 0.018 0.000 0.972 153 K HA 0.337 4.657 4.320 0.000 0.000 1.032 153 K C -1.192 175.418 176.600 0.016 0.000 0.675 153 K CA 0.132 56.428 56.287 0.014 0.000 0.760 153 K CB -0.441 32.066 32.500 0.012 0.000 3.444 153 K HN 0.488 nan 8.250 nan 0.000 0.136 154 L N 3.528 124.760 121.223 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 0.314 nan 4.420 nan 0.000 0.285 155 P C -0.301 177.003 177.300 0.007 0.000 1.269 155 P CA -0.483 62.622 63.100 0.008 0.000 0.844 155 P CB 1.441 33.146 31.700 0.009 0.000 1.094 156 E N 1.389 121.593 120.200 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 -1.492 28.211 29.700 0.005 0.000 1.717 156 E HN 0.793 nan 8.360 nan 0.000 0.433 157 G N 0.017 108.820 108.800 0.005 0.000 2.862 157 G HA2 -0.105 3.855 3.960 0.000 0.000 0.303 157 G HA3 -0.105 3.855 3.960 0.000 0.000 0.303 157 G C 0.088 174.990 174.900 0.004 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 3.948 123.251 119.300 0.004 0.000 2.298 158 C HA 0.451 4.911 4.460 0.000 0.000 0.451 158 C C 1.503 176.495 174.990 0.002 0.000 1.028 158 C CA -0.159 58.861 59.018 0.003 0.000 1.324 158 C CB -1.045 26.697 27.740 0.004 0.000 1.534 158 C HN 0.926 nan 8.230 nan 0.000 0.528 159 T N 0.799 115.353 114.554 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 0.542 62.641 62.100 -0.001 0.000 1.734 159 T CB 0.049 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 -0.491 120.729 121.223 -0.005 0.000 3.768 160 L HA -0.006 4.334 4.340 0.000 0.000 0.418 160 L C 1.404 178.267 176.870 -0.012 0.000 0.864 160 L CA 0.702 55.539 54.840 -0.005 0.000 1.827 160 L CB -2.273 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 -0.994 121.816 122.820 -0.017 0.000 2.343 161 A HA 0.051 4.371 4.320 0.000 0.000 0.219 161 A C 1.451 179.019 177.584 -0.027 0.000 1.214 161 A CA 2.569 54.592 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 -1.651 121.156 122.820 -0.022 0.000 2.637 162 A HA 0.680 5.000 4.320 0.000 0.000 0.258 162 A C 0.031 177.613 177.584 -0.004 0.000 1.250 162 A CA 0.035 52.060 52.037 -0.021 0.000 0.931 162 A CB 0.574 19.555 19.000 -0.031 0.000 1.488 162 A HN 0.302 nan 8.150 nan 0.000 0.464 163 D N -1.773 118.631 120.400 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 -1.256 52.753 54.000 0.015 0.000 1.115 163 D CB 1.523 42.330 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 -0.974 176.343 177.300 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 0.043 120.256 120.200 0.023 0.000 1.820 165 E HA -0.171 4.179 4.350 0.000 0.000 0.296 165 E C -0.876 175.737 176.600 0.021 0.000 1.702 165 E CA 1.057 57.465 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 2.399 123.635 121.223 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 0.056 0.000 1.051 166 L CB 1.237 43.355 42.059 0.097 0.000 1.710 166 L HN 0.667 nan 8.230 nan 0.000 0.469 167 T N 1.010 115.585 114.554 0.036 0.000 2.487 167 T HA -0.099 4.251 4.350 0.000 0.000 0.490 167 T C 0.978 174.987 174.700 -1.151 0.000 0.794 167 T CA 0.966 63.039 62.100 -0.044 0.000 3.697 167 T CB -1.362 67.677 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 -0.892 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 -0.424 0.000 1.072 168 V CA 0.733 62.447 62.300 -0.977 0.000 1.094 168 V CB 0.342 31.925 31.823 -0.400 0.000 0.761 168 V HN 0.889 nan 8.190 nan 0.000 0.489 169 V N 0.583 120.369 119.914 -0.213 0.000 2.891 169 V HA 0.187 4.307 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 -0.116 62.128 62.300 -0.094 0.000 0.777 169 V CB 0.817 32.599 31.823 -0.069 0.000 1.239 169 V HN 0.581 nan 8.190 nan 0.000 0.540 170 S N 3.440 119.145 115.700 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 0.069 0.000 1.119 170 S CA -0.279 57.975 58.200 0.090 0.000 0.997 170 S CB 2.284 65.639 63.200 0.258 0.000 1.223 170 S HN 2.015 nan 8.310 nan 0.000 0.541 171 V N -0.507 119.463 119.914 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 0.534 32.359 31.823 0.003 0.000 0.996 171 V HN 0.946 nan 8.190 nan 0.000 0.426 172 L N 5.666 126.919 121.223 0.049 0.000 2.286 172 L HA 0.799 5.139 4.340 0.000 0.000 0.265 172 L C -2.392 174.493 176.870 0.025 0.000 1.012 172 L CA -2.487 52.381 54.840 0.047 0.000 0.818 172 L CB 3.280 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 -2.287 175.019 177.300 0.009 0.000 1.380 173 P CA -1.344 61.764 63.100 0.013 0.000 0.992 173 P CB 0.245 31.952 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 1.173 64.276 63.100 0.006 0.000 0.769 174 P CB 0.285 31.988 31.700 0.004 0.000 0.769 175 R N -2.447 118.056 120.500 0.005 0.000 3.643 175 R HA 0.361 4.701 4.340 0.000 0.000 0.069 175 R C 0.254 176.556 176.300 0.004 0.000 0.766 175 R CA 0.057 56.159 56.100 0.004 0.000 2.179 175 R CB 0.723 31.025 30.300 0.003 0.000 1.514 175 R HN 0.124 nan 8.270 nan 0.000 0.455 176 L N 1.707 122.932 121.223 0.004 0.000 2.781 176 L HA 0.349 4.689 4.340 0.000 0.000 0.256 176 L C -1.479 175.392 176.870 0.003 0.000 0.930 176 L CA -0.290 54.552 54.840 0.004 0.000 0.967 176 L CB 2.118 44.179 42.059 0.003 0.000 1.551 176 L HN 0.348 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