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 3knk_1_Z DATA FIRST_RESID 2 DATA SEQUENCE YRLKAYYREG EKPSALRRAG KLPGVMYNRH LNRKVYVDLV EFDKVFRQAS DATA SEQUENCE IHHVIVLELP DGQSLPTLVR QVNLDKRRRR PEHVDFFVLS DEPVEMYVPL DATA SEQUENCE RFVGTPAGVR AGGVLQEIHR DILVKVSPRN IPEFIEVDVS GLEIGDSLHA DATA SEQUENCE SDLKLPPGVE LAVSPEETIA AVVPPED 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.852 175.900 -0.080 0.000 1.272 2 Y CA 0.000 58.064 58.100 -0.060 0.000 1.940 2 Y CB 0.000 38.416 38.460 -0.073 0.000 1.050 3 R N 0.833 121.408 120.500 0.125 0.000 2.858 3 R HA 0.587 4.927 4.340 0.000 0.000 0.252 3 R C -2.754 173.512 176.300 -0.057 0.000 1.063 3 R CA -0.472 55.617 56.100 -0.018 0.000 0.955 3 R CB 1.839 32.122 30.300 -0.028 0.000 1.259 3 R HN 0.609 nan 8.270 nan 0.000 0.477 4 L N 1.336 122.483 121.223 -0.127 0.000 2.940 4 L HA 0.458 4.798 4.340 0.000 0.000 0.270 4 L C -1.373 175.369 176.870 -0.215 0.000 1.030 4 L CA -0.664 54.093 54.840 -0.139 0.000 0.928 4 L CB 1.925 43.912 42.059 -0.120 0.000 1.506 4 L HN 0.721 nan 8.230 nan 0.000 0.405 5 K N 1.620 121.884 120.400 -0.227 0.000 2.440 5 K HA 0.568 4.888 4.320 0.000 0.000 0.270 5 K C -0.703 175.541 176.600 -0.593 0.000 0.980 5 K CA 0.601 56.643 56.287 -0.407 0.000 0.953 5 K CB 0.298 32.588 32.500 -0.349 0.000 0.925 5 K HN 0.758 nan 8.250 nan 0.000 0.497 6 A N 2.498 124.775 122.820 -0.904 0.000 2.500 6 A HA 0.427 4.747 4.320 0.000 0.000 0.291 6 A C -1.858 175.154 177.584 -0.953 0.000 1.048 6 A CA -0.931 50.602 52.037 -0.840 0.000 0.791 6 A CB 0.533 19.232 19.000 -0.502 0.000 1.309 6 A HN 0.554 nan 8.150 nan 0.000 0.397 7 Y N 0.304 120.279 120.300 -0.542 0.000 2.352 7 Y HA 0.521 5.071 4.550 0.000 0.000 0.339 7 Y C 0.053 175.824 175.900 -0.215 0.000 0.992 7 Y CA -1.562 56.296 58.100 -0.404 0.000 1.100 7 Y CB 0.528 38.810 38.460 -0.297 0.000 1.192 7 Y HN 0.582 nan 8.280 nan 0.000 0.458 8 Y N 3.242 123.615 120.300 0.121 0.000 2.852 8 Y HA -0.073 4.477 4.550 0.000 0.000 0.343 8 Y C 1.157 177.231 175.900 0.289 0.000 1.280 8 Y CA -0.016 58.180 58.100 0.159 0.000 1.604 8 Y CB 0.407 38.939 38.460 0.120 0.000 1.216 8 Y HN 0.475 nan 8.280 nan 0.000 0.541 9 R N 4.320 125.125 120.500 0.508 0.000 2.267 9 R HA 0.026 4.366 4.340 0.000 0.000 0.319 9 R C 0.349 176.797 176.300 0.246 0.000 1.067 9 R CA -0.285 56.080 56.100 0.442 0.000 0.936 9 R CB 0.746 31.295 30.300 0.415 0.000 1.006 9 R HN 0.795 nan 8.270 nan 0.000 0.452 10 E N 2.886 123.190 120.200 0.173 0.000 2.048 10 E HA -0.150 4.200 4.350 0.000 0.000 0.202 10 E C 1.019 177.668 176.600 0.082 0.000 1.021 10 E CA 2.038 58.499 56.400 0.102 0.000 0.825 10 E CB -0.015 29.723 29.700 0.064 0.000 0.756 10 E HN 1.009 nan 8.360 nan 0.000 0.454 11 G N -0.215 108.627 108.800 0.071 0.000 2.200 11 G HA2 -0.122 3.838 3.960 0.000 0.000 0.145 11 G HA3 -0.122 3.838 3.960 0.000 0.000 0.145 11 G C -0.479 174.441 174.900 0.033 0.000 1.021 11 G CA -0.285 44.852 45.100 0.062 0.000 0.720 11 G HN 0.151 nan 8.290 nan 0.000 0.494 12 E N 0.186 120.394 120.200 0.014 0.000 2.235 12 E HA 0.735 5.085 4.350 0.000 0.000 0.265 12 E C 0.479 177.064 176.600 -0.024 0.000 0.940 12 E CA -0.746 55.653 56.400 -0.002 0.000 0.819 12 E CB 0.981 30.680 29.700 -0.003 0.000 1.206 12 E HN 0.185 nan 8.360 nan 0.000 0.409 13 K N -0.065 120.321 120.400 -0.023 0.000 3.069 13 K HA -0.194 4.126 4.320 0.000 0.000 0.267 13 K C -2.068 174.508 176.600 -0.040 0.000 1.082 13 K CA 0.289 56.556 56.287 -0.034 0.000 0.782 13 K CB -1.305 31.166 32.500 -0.048 0.000 1.230 13 K HN 0.381 nan 8.250 nan 0.000 0.488 14 P HA -0.315 nan 4.420 nan 0.000 0.216 14 P C 1.551 178.837 177.300 -0.025 0.000 1.167 14 P CA 1.874 64.964 63.100 -0.017 0.000 0.914 14 P CB 0.030 31.736 31.700 0.010 0.000 0.793 15 S N -1.053 114.636 115.700 -0.019 0.000 2.359 15 S HA -0.239 4.231 4.470 0.000 0.000 0.223 15 S C 1.936 176.518 174.600 -0.031 0.000 1.039 15 S CA 1.780 59.967 58.200 -0.021 0.000 1.042 15 S CB -1.189 62.001 63.200 -0.017 0.000 0.915 15 S HN 0.129 nan 8.310 nan 0.000 0.439 16 A N 0.031 122.830 122.820 -0.035 0.000 2.209 16 A HA 0.234 4.554 4.320 0.000 0.000 0.212 16 A C 1.910 179.457 177.584 -0.062 0.000 1.158 16 A CA 0.577 52.589 52.037 -0.042 0.000 0.742 16 A CB -0.405 18.572 19.000 -0.039 0.000 0.790 16 A HN 0.508 nan 8.150 nan 0.000 0.472 17 L N -0.325 120.853 121.223 -0.074 0.000 2.049 17 L HA -0.019 4.321 4.340 0.000 0.000 0.203 17 L C 2.516 179.327 176.870 -0.098 0.000 1.074 17 L CA 1.753 56.522 54.840 -0.118 0.000 0.749 17 L CB -0.460 41.517 42.059 -0.137 0.000 0.907 17 L HN 0.354 nan 8.230 nan 0.000 0.439 18 R N -1.115 119.346 120.500 -0.066 0.000 2.105 18 R HA -0.119 4.221 4.340 0.000 0.000 0.239 18 R C 2.288 178.564 176.300 -0.040 0.000 1.135 18 R CA 1.010 57.081 56.100 -0.048 0.000 0.967 18 R CB -0.515 29.761 30.300 -0.039 0.000 0.861 18 R HN 0.225 nan 8.270 nan 0.000 0.442 19 R N 0.802 121.277 120.500 -0.041 0.000 2.112 19 R HA -0.127 4.213 4.340 0.000 0.000 0.242 19 R C 2.001 178.281 176.300 -0.033 0.000 1.137 19 R CA 1.727 57.807 56.100 -0.033 0.000 0.944 19 R CB -0.565 29.715 30.300 -0.034 0.000 0.857 19 R HN 0.290 nan 8.270 nan 0.000 0.435 20 A N 0.006 122.799 122.820 -0.045 0.000 2.276 20 A HA 0.054 4.374 4.320 0.000 0.000 0.205 20 A C 1.335 178.901 177.584 -0.029 0.000 1.234 20 A CA 1.142 53.152 52.037 -0.044 0.000 0.797 20 A CB -0.723 18.235 19.000 -0.070 0.000 0.769 20 A HN 0.629 nan 8.150 nan 0.000 0.491 21 G N -1.520 107.268 108.800 -0.021 0.000 2.184 21 G HA2 -0.291 3.669 3.960 0.000 0.000 0.264 21 G HA3 -0.291 3.669 3.960 0.000 0.000 0.264 21 G C 0.372 175.282 174.900 0.016 0.000 0.975 21 G CA 0.907 46.005 45.100 -0.002 0.000 0.642 21 G HN 0.579 nan 8.290 nan 0.000 0.536 22 K N -0.677 119.728 120.400 0.008 0.000 2.098 22 K HA 0.821 5.141 4.320 0.000 0.000 0.244 22 K C -0.113 176.513 176.600 0.043 0.000 1.014 22 K CA -0.780 55.545 56.287 0.064 0.000 0.917 22 K CB 1.113 33.638 32.500 0.042 0.000 1.072 22 K HN 0.397 nan 8.250 nan 0.000 0.477 23 L N 2.075 123.359 121.223 0.102 0.000 2.381 23 L HA 0.585 4.925 4.340 0.000 0.000 0.274 23 L C -2.766 174.143 176.870 0.065 0.000 0.988 23 L CA -1.818 53.022 54.840 -0.001 0.000 0.824 23 L CB 2.001 43.978 42.059 -0.136 0.000 1.263 23 L HN 0.428 nan 8.230 nan 0.000 0.410 24 P HA 0.770 nan 4.420 nan 0.000 0.285 24 P C -0.969 176.163 177.300 -0.280 0.000 1.269 24 P CA -0.501 62.601 63.100 0.004 0.000 0.844 24 P CB 1.857 33.562 31.700 0.007 0.000 1.094 25 G N -0.771 107.876 108.800 -0.254 0.000 2.682 25 G HA2 0.575 4.535 3.960 0.000 0.000 0.303 25 G HA3 0.575 4.535 3.960 0.000 0.000 0.303 25 G C -1.910 172.903 174.900 -0.146 0.000 1.341 25 G CA -0.495 44.262 45.100 -0.573 0.000 0.784 25 G HN 0.525 nan 8.290 nan 0.000 0.497 26 V N 0.065 119.975 119.914 -0.007 0.000 3.159 26 V HA 0.856 4.976 4.120 0.000 0.000 0.308 26 V C -0.983 175.228 176.094 0.196 0.000 1.190 26 V CA -0.938 61.488 62.300 0.211 0.000 1.037 26 V CB 2.211 34.237 31.823 0.338 0.000 1.060 26 V HN 1.124 nan 8.190 nan 0.000 0.437 27 M N 5.078 124.805 119.600 0.213 0.000 2.326 27 M HA 0.830 5.310 4.480 0.000 0.000 0.306 27 M C -1.663 174.742 176.300 0.176 0.000 1.054 27 M CA -0.475 54.897 55.300 0.120 0.000 0.922 27 M CB 1.973 34.678 32.600 0.174 0.000 1.632 27 M HN 0.730 nan 8.290 nan 0.000 0.436 28 Y N 0.647 121.089 120.300 0.236 0.000 2.638 28 Y HA 0.738 5.288 4.550 0.000 0.000 0.335 28 Y C -0.732 175.324 175.900 0.261 0.000 1.155 28 Y CA -1.227 56.993 58.100 0.198 0.000 1.046 28 Y CB 1.046 39.603 38.460 0.162 0.000 1.303 28 Y HN 0.907 nan 8.280 nan 0.000 0.460 29 N N 0.963 119.931 118.700 0.447 0.000 2.695 29 N HA 0.043 4.783 4.740 0.000 0.000 0.195 29 N C 0.145 175.649 175.510 -0.010 0.000 1.317 29 N CA 0.471 53.711 53.050 0.317 0.000 1.879 29 N CB -0.010 38.459 38.487 -0.030 0.000 1.174 29 N HN 1.082 nan 8.380 nan 0.000 0.682 30 R N -0.724 119.804 120.500 0.046 0.000 1.172 30 R HA -0.231 4.109 4.340 0.000 0.000 0.013 30 R C 0.681 176.991 176.300 0.017 0.000 0.961 30 R CA 1.675 57.752 56.100 -0.039 0.000 1.989 30 R CB -1.841 28.350 30.300 -0.182 0.000 0.120 30 R HN 0.297 nan 8.270 nan 0.000 0.732 31 H N 1.259 120.387 119.070 0.097 0.000 2.253 31 H HA -0.002 4.554 4.556 0.000 0.000 0.299 31 H C 1.110 176.491 175.328 0.088 0.000 1.064 31 H CA 1.356 57.448 56.048 0.073 0.000 1.264 31 H CB -0.844 28.950 29.762 0.052 0.000 1.371 31 H HN 0.211 nan 8.280 nan 0.000 0.493 32 L N 2.120 123.469 121.223 0.209 0.000 2.461 32 L HA 0.065 4.405 4.340 0.000 0.000 0.272 32 L C 0.937 177.916 176.870 0.182 0.000 1.197 32 L CA 0.471 55.415 54.840 0.172 0.000 0.836 32 L CB 0.240 42.393 42.059 0.156 0.000 1.105 32 L HN 0.372 nan 8.230 nan 0.000 0.477 33 N N 1.749 120.548 118.700 0.165 0.000 2.093 33 N HA 0.040 4.780 4.740 0.000 0.000 0.226 33 N C -0.497 175.104 175.510 0.153 0.000 1.388 33 N CA -0.332 52.824 53.050 0.176 0.000 0.752 33 N CB 0.543 39.111 38.487 0.135 0.000 1.240 33 N HN 0.453 nan 8.380 nan 0.000 0.529 34 R N 1.591 122.179 120.500 0.147 0.000 2.543 34 R HA 0.190 4.530 4.340 0.000 0.000 0.277 34 R C 0.050 176.464 176.300 0.191 0.000 1.074 34 R CA 0.123 56.300 56.100 0.127 0.000 1.076 34 R CB 0.712 31.075 30.300 0.105 0.000 0.993 34 R HN 0.126 nan 8.270 nan 0.000 0.459 35 K N 1.823 122.324 120.400 0.169 0.000 2.276 35 K HA 0.229 4.549 4.320 0.000 0.000 0.283 35 K C 0.438 177.202 176.600 0.274 0.000 1.044 35 K CA -0.352 56.058 56.287 0.204 0.000 0.944 35 K CB 0.898 33.496 32.500 0.163 0.000 1.012 35 K HN 0.428 nan 8.250 nan 0.000 0.472 36 V N -0.006 120.080 119.914 0.286 0.000 3.703 36 V HA 0.718 4.838 4.120 0.000 0.000 0.306 36 V C -1.263 175.069 176.094 0.397 0.000 1.407 36 V CA -0.901 61.596 62.300 0.328 0.000 0.974 36 V CB 0.980 32.947 31.823 0.240 0.000 1.188 36 V HN 0.915 nan 8.190 nan 0.000 0.477 37 Y N -1.650 118.769 120.300 0.198 0.000 2.889 37 Y HA 0.736 5.286 4.550 -0.000 0.000 0.379 37 Y C -0.980 175.072 175.900 0.252 0.000 1.179 37 Y CA -0.400 57.805 58.100 0.175 0.000 1.178 37 Y CB 0.343 38.878 38.460 0.126 0.000 1.460 37 Y HN 1.341 nan 8.280 nan 0.000 0.472 38 V N -1.401 118.704 119.914 0.319 0.000 5.994 38 V HA 0.833 4.953 4.120 0.000 0.000 0.290 38 V C -1.507 174.827 176.094 0.400 0.000 1.597 38 V CA 0.144 62.600 62.300 0.261 0.000 0.696 38 V CB 1.348 33.388 31.823 0.362 0.000 1.436 38 V HN 0.969 nan 8.190 nan 0.000 0.409 39 D N -1.315 119.276 120.400 0.318 0.000 2.616 39 D HA 0.430 5.070 4.640 0.000 0.000 0.238 39 D C 0.574 177.000 176.300 0.210 0.000 1.354 39 D CA -0.381 53.767 54.000 0.247 0.000 0.970 39 D CB 1.478 42.411 40.800 0.223 0.000 1.369 39 D HN 0.643 nan 8.370 nan 0.000 0.585 40 L N 2.823 124.129 121.223 0.138 0.000 2.026 40 L HA -0.291 4.049 4.340 0.000 0.000 0.231 40 L C 2.252 179.209 176.870 0.145 0.000 1.095 40 L CA 1.990 56.892 54.840 0.102 0.000 0.810 40 L CB -0.392 41.691 42.059 0.041 0.000 0.909 40 L HN 0.488 nan 8.230 nan 0.000 0.444 41 V N -0.590 119.390 119.914 0.109 0.000 2.343 41 V HA -0.304 3.816 4.120 0.000 0.000 0.247 41 V C 2.342 178.503 176.094 0.111 0.000 1.051 41 V CA 2.246 64.603 62.300 0.095 0.000 1.036 41 V CB -0.265 31.597 31.823 0.065 0.000 0.654 41 V HN 0.526 nan 8.190 nan 0.000 0.451 42 E N -0.821 119.456 120.200 0.129 0.000 2.051 42 E HA -0.230 4.120 4.350 0.000 0.000 0.192 42 E C 2.038 178.716 176.600 0.129 0.000 0.991 42 E CA 1.769 58.236 56.400 0.112 0.000 0.799 42 E CB -0.316 29.460 29.700 0.127 0.000 0.748 42 E HN 0.711 nan 8.360 nan 0.000 0.449 43 F N 2.558 122.551 119.950 0.070 0.000 2.051 43 F HA -0.237 4.290 4.527 0.000 0.000 0.296 43 F C 2.133 178.003 175.800 0.117 0.000 1.122 43 F CA 1.924 59.984 58.000 0.100 0.000 1.201 43 F CB -0.361 38.701 39.000 0.103 0.000 0.978 43 F HN -0.033 nan 8.300 nan 0.000 0.472 44 D N 0.442 121.104 120.400 0.437 0.000 2.103 44 D HA -0.248 4.392 4.640 0.000 0.000 0.190 44 D C 2.093 178.482 176.300 0.148 0.000 0.997 44 D CA 1.855 56.044 54.000 0.315 0.000 0.833 44 D CB -0.160 40.769 40.800 0.215 0.000 0.961 44 D HN 0.341 nan 8.370 nan 0.000 0.447 45 K N 0.112 120.557 120.400 0.075 0.000 2.049 45 K HA -0.220 4.100 4.320 0.000 0.000 0.219 45 K C 2.307 178.868 176.600 -0.064 0.000 1.056 45 K CA 1.844 58.131 56.287 0.000 0.000 0.946 45 K CB -0.581 31.905 32.500 -0.023 0.000 0.723 45 K HN 0.146 nan 8.250 nan 0.000 0.453 46 V N 1.230 121.077 119.914 -0.111 0.000 2.220 46 V HA -0.271 3.849 4.120 0.000 0.000 0.242 46 V C 2.045 178.064 176.094 -0.126 0.000 1.041 46 V CA 2.087 64.267 62.300 -0.200 0.000 0.990 46 V CB -0.819 30.874 31.823 -0.217 0.000 0.634 46 V HN 0.231 nan 8.190 nan 0.000 0.452 47 F N 1.240 121.001 119.950 -0.316 0.000 2.053 47 F HA -0.322 4.205 4.527 -0.000 0.000 0.295 47 F C 2.568 178.347 175.800 -0.035 0.000 1.102 47 F CA 2.279 60.154 58.000 -0.209 0.000 1.225 47 F CB -0.387 38.455 39.000 -0.264 0.000 0.961 47 F HN -0.004 nan 8.300 nan 0.000 0.495 48 R N 0.572 121.264 120.500 0.321 0.000 2.410 48 R HA -0.269 4.071 4.340 0.000 0.000 0.207 48 R C 2.111 178.431 176.300 0.033 0.000 1.020 48 R CA 2.227 58.457 56.100 0.216 0.000 0.796 48 R CB -1.523 28.866 30.300 0.149 0.000 0.771 48 R HN 0.502 nan 8.270 nan 0.000 0.435 49 Q N -0.256 119.540 119.800 -0.006 0.000 1.954 49 Q HA -0.261 4.079 4.340 0.000 0.000 0.215 49 Q C 2.147 178.138 176.000 -0.015 0.000 1.026 49 Q CA 2.549 58.336 55.803 -0.028 0.000 0.881 49 Q CB -0.500 28.194 28.738 -0.074 0.000 0.977 49 Q HN 0.560 nan 8.270 nan 0.000 0.416 50 A N 0.477 123.278 122.820 -0.031 0.000 1.859 50 A HA -0.240 4.080 4.320 0.000 0.000 0.218 50 A C 1.274 178.851 177.584 -0.011 0.000 1.209 50 A CA 1.740 53.807 52.037 0.050 0.000 0.639 50 A CB -0.946 18.110 19.000 0.093 0.000 0.835 50 A HN 0.534 nan 8.150 nan 0.000 0.450 51 S N -2.475 113.031 115.700 -0.324 0.000 3.569 51 S HA -0.195 4.275 4.470 0.000 0.000 0.635 51 S C -0.326 173.968 174.600 -0.509 0.000 2.396 51 S CA 0.796 58.585 58.200 -0.686 0.000 2.612 51 S CB -1.767 61.281 63.200 -0.254 0.000 0.331 51 S HN 1.566 nan 8.310 nan 0.000 1.764 52 I N 1.856 122.066 120.570 -0.600 0.000 2.243 52 I HA 0.562 4.732 4.170 0.000 0.000 0.289 52 I C 0.803 176.616 176.117 -0.508 0.000 1.140 52 I CA 0.025 61.104 61.300 -0.367 0.000 1.289 52 I CB 0.197 38.075 38.000 -0.202 0.000 1.498 52 I HN 0.577 nan 8.210 nan 0.000 0.561 53 H N 1.761 120.857 119.070 0.042 0.000 3.838 53 H HA 0.347 4.903 4.556 0.000 0.000 0.255 53 H C -0.173 175.171 175.328 0.027 0.000 1.074 53 H CA 0.009 56.104 56.048 0.078 0.000 1.143 53 H CB 0.880 30.720 29.762 0.131 0.000 1.479 53 H HN 0.467 nan 8.280 nan 0.000 0.644 54 H N 0.595 119.729 119.070 0.106 0.000 2.954 54 H HA 0.235 4.791 4.556 0.000 0.000 0.361 54 H C -0.175 175.171 175.328 0.030 0.000 1.122 54 H CA -0.532 55.550 56.048 0.056 0.000 1.217 54 H CB 3.117 32.901 29.762 0.036 0.000 1.776 54 H HN -0.164 nan 8.280 nan 0.000 0.533 55 V N 4.035 124.007 119.914 0.097 0.000 3.332 55 V HA -0.059 4.061 4.120 0.000 0.000 0.305 55 V C 0.865 176.992 176.094 0.055 0.000 1.114 55 V CA 0.365 62.702 62.300 0.061 0.000 1.194 55 V CB 0.097 31.931 31.823 0.019 0.000 1.027 55 V HN 0.449 nan 8.190 nan 0.000 0.492 56 I N 1.133 121.719 120.570 0.026 0.000 3.294 56 I HA 0.743 4.913 4.170 0.000 0.000 0.311 56 I C -0.430 175.643 176.117 -0.074 0.000 1.111 56 I CA -0.813 60.479 61.300 -0.012 0.000 0.976 56 I CB 1.831 39.806 38.000 -0.042 0.000 1.260 56 I HN 0.338 nan 8.210 nan 0.000 0.474 57 V N 2.450 122.291 119.914 -0.121 0.000 3.012 57 V HA 0.491 4.611 4.120 0.000 0.000 0.307 57 V C -0.581 175.380 176.094 -0.221 0.000 1.166 57 V CA -0.631 61.577 62.300 -0.152 0.000 0.974 57 V CB 2.741 34.500 31.823 -0.107 0.000 1.040 57 V HN 0.452 nan 8.190 nan 0.000 0.428 58 L N 2.084 123.156 121.223 -0.251 0.000 2.325 58 L HA 0.641 4.981 4.340 0.000 0.000 0.278 58 L C -0.030 176.679 176.870 -0.268 0.000 1.023 58 L CA -0.511 54.143 54.840 -0.309 0.000 0.811 58 L CB 1.869 43.713 42.059 -0.358 0.000 1.249 58 L HN 0.654 nan 8.230 nan 0.000 0.431 59 E N 3.491 123.506 120.200 -0.308 0.000 2.400 59 E HA 0.295 4.645 4.350 0.000 0.000 0.232 59 E C -0.554 175.833 176.600 -0.356 0.000 0.988 59 E CA -0.495 55.742 56.400 -0.273 0.000 0.823 59 E CB 0.935 30.500 29.700 -0.225 0.000 1.246 59 E HN 0.361 nan 8.360 nan 0.000 0.441 60 L N 2.210 123.225 121.223 -0.347 0.000 2.483 60 L HA -0.012 4.328 4.340 0.000 0.000 0.277 60 L C -1.308 175.375 176.870 -0.311 0.000 1.248 60 L CA -0.419 54.161 54.840 -0.434 0.000 0.825 60 L CB -0.260 41.524 42.059 -0.458 0.000 1.096 60 L HN 0.274 nan 8.230 nan 0.000 0.512 61 P HA 0.012 nan 4.420 nan 0.000 0.240 61 P C 0.072 177.340 177.300 -0.054 0.000 1.190 61 P CA 0.500 63.538 63.100 -0.103 0.000 0.781 61 P CB 0.300 31.997 31.700 -0.004 0.000 0.931 62 D N -0.549 119.802 120.400 -0.081 0.000 2.690 62 D HA 0.208 4.848 4.640 0.000 0.000 0.236 62 D C 1.644 177.931 176.300 -0.021 0.000 1.218 62 D CA 0.274 54.279 54.000 0.008 0.000 0.829 62 D CB -0.768 40.101 40.800 0.115 0.000 1.009 62 D HN 0.043 nan 8.370 nan 0.000 0.482 63 G N 0.548 109.319 108.800 -0.049 0.000 2.322 63 G HA2 -0.375 3.585 3.960 0.000 0.000 0.264 63 G HA3 -0.375 3.585 3.960 0.000 0.000 0.264 63 G C 0.804 175.665 174.900 -0.066 0.000 0.992 63 G CA 0.359 45.429 45.100 -0.049 0.000 0.624 63 G HN 0.376 nan 8.290 nan 0.000 0.543 64 Q N -0.162 119.592 119.800 -0.077 0.000 3.138 64 Q HA 0.335 4.675 4.340 0.000 0.000 0.212 64 Q C 0.365 176.302 176.000 -0.106 0.000 1.175 64 Q CA 1.371 57.126 55.803 -0.081 0.000 1.180 64 Q CB 0.192 28.875 28.738 -0.091 0.000 1.378 64 Q HN 0.686 nan 8.270 nan 0.000 0.667 65 S N -0.103 115.537 115.700 -0.099 0.000 2.486 65 S HA 0.321 4.791 4.470 0.000 0.000 0.184 65 S C -1.816 172.727 174.600 -0.095 0.000 0.774 65 S CA -0.447 57.688 58.200 -0.108 0.000 0.995 65 S CB -0.304 62.845 63.200 -0.085 0.000 1.427 65 S HN 0.340 nan 8.310 nan 0.000 0.398 66 L N 5.395 126.550 121.223 -0.114 0.000 2.307 66 L HA 0.602 4.942 4.340 0.000 0.000 0.284 66 L C -2.071 174.735 176.870 -0.107 0.000 1.023 66 L CA -1.836 52.948 54.840 -0.093 0.000 0.810 66 L CB 1.281 43.296 42.059 -0.073 0.000 1.231 66 L HN 0.325 nan 8.230 nan 0.000 0.423 67 P HA 0.175 nan 4.420 nan 0.000 0.276 67 P C -0.769 176.488 177.300 -0.072 0.000 1.264 67 P CA -0.152 62.902 63.100 -0.077 0.000 0.769 67 P CB 0.734 32.393 31.700 -0.069 0.000 0.840 68 T N 1.367 115.892 114.554 -0.047 0.000 2.865 68 T HA 0.726 5.076 4.350 0.000 0.000 0.294 68 T C -0.699 174.073 174.700 0.119 0.000 1.119 68 T CA -0.937 61.180 62.100 0.028 0.000 1.007 68 T CB 1.514 70.400 68.868 0.031 0.000 1.225 68 T HN 0.218 nan 8.240 nan 0.000 0.515 69 L N 1.504 122.870 121.223 0.238 0.000 2.438 69 L HA 0.478 4.818 4.340 0.000 0.000 0.270 69 L C -0.641 176.419 176.870 0.316 0.000 0.972 69 L CA -1.398 53.596 54.840 0.258 0.000 0.831 69 L CB 2.542 44.742 42.059 0.235 0.000 1.273 69 L HN 0.637 nan 8.230 nan 0.000 0.405 70 V N 3.760 123.860 119.914 0.310 0.000 2.425 70 V HA 0.074 4.194 4.120 0.000 0.000 0.276 70 V C 1.338 177.538 176.094 0.176 0.000 1.017 70 V CA -0.268 62.197 62.300 0.274 0.000 1.062 70 V CB 0.273 32.355 31.823 0.433 0.000 0.997 70 V HN 0.744 nan 8.190 nan 0.000 0.476 71 R N 3.045 123.618 120.500 0.121 0.000 2.090 71 R HA 0.026 4.366 4.340 0.000 0.000 0.228 71 R C 0.753 177.112 176.300 0.098 0.000 1.110 71 R CA 0.840 57.003 56.100 0.105 0.000 0.973 71 R CB -0.024 30.353 30.300 0.129 0.000 0.869 71 R HN 1.006 nan 8.270 nan 0.000 0.440 72 Q N -1.206 118.650 119.800 0.092 0.000 2.507 72 Q HA 0.175 4.515 4.340 0.000 0.000 0.248 72 Q C -1.795 174.236 176.000 0.052 0.000 0.941 72 Q CA -0.401 55.446 55.803 0.074 0.000 1.003 72 Q CB 1.252 30.020 28.738 0.050 0.000 1.517 72 Q HN -0.167 nan 8.270 nan 0.000 0.443 73 V N 3.230 123.173 119.914 0.048 0.000 2.334 73 V HA 0.252 4.372 4.120 0.000 0.000 0.267 73 V C -0.489 175.584 176.094 -0.035 0.000 1.040 73 V CA -0.638 61.641 62.300 -0.034 0.000 0.866 73 V CB 0.512 32.280 31.823 -0.091 0.000 1.019 73 V HN 0.714 nan 8.190 nan 0.000 0.468 74 N N 5.824 124.505 118.700 -0.030 0.000 2.968 74 N HA 0.246 4.986 4.740 0.000 0.000 0.271 74 N C -0.075 175.407 175.510 -0.046 0.000 1.174 74 N CA -0.332 52.699 53.050 -0.032 0.000 1.096 74 N CB 0.170 38.636 38.487 -0.035 0.000 1.403 74 N HN 0.418 nan 8.380 nan 0.000 0.522 75 L N 0.405 121.596 121.223 -0.053 0.000 2.473 75 L HA -0.015 4.325 4.340 0.000 0.000 0.280 75 L C 0.858 177.701 176.870 -0.043 0.000 1.266 75 L CA 0.778 55.583 54.840 -0.059 0.000 0.824 75 L CB 0.117 42.150 42.059 -0.043 0.000 1.091 75 L HN 0.478 nan 8.230 nan 0.000 0.534 76 D N 0.083 120.458 120.400 -0.042 0.000 2.198 76 D HA 0.118 4.758 4.640 0.000 0.000 0.245 76 D C 0.866 177.152 176.300 -0.025 0.000 1.079 76 D CA -0.432 53.549 54.000 -0.032 0.000 0.854 76 D CB 1.109 41.889 40.800 -0.032 0.000 1.148 76 D HN 0.232 nan 8.370 nan 0.000 0.456 77 K N 2.933 123.321 120.400 -0.020 0.000 2.020 77 K HA -0.125 4.195 4.320 0.000 0.000 0.212 77 K C 0.675 177.267 176.600 -0.013 0.000 1.050 77 K CA 1.204 57.482 56.287 -0.016 0.000 0.929 77 K CB -0.524 31.967 32.500 -0.014 0.000 0.714 77 K HN 0.549 nan 8.250 nan 0.000 0.443 78 R N 1.767 122.259 120.500 -0.013 0.000 2.216 78 R HA 0.246 4.586 4.340 0.000 0.000 0.332 78 R C 0.043 176.335 176.300 -0.012 0.000 1.056 78 R CA -0.185 55.908 56.100 -0.011 0.000 0.901 78 R CB 0.807 31.101 30.300 -0.011 0.000 1.039 78 R HN 0.094 nan 8.270 nan 0.000 0.456 79 R N 2.229 122.723 120.500 -0.009 0.000 3.862 79 R HA -0.210 4.130 4.340 0.000 0.000 0.398 79 R C 0.290 176.583 176.300 -0.011 0.000 1.110 79 R CA 1.108 57.203 56.100 -0.009 0.000 1.010 79 R CB -1.528 28.766 30.300 -0.010 0.000 1.613 79 R HN 1.104 nan 8.270 nan 0.000 0.530 80 R N -0.927 119.566 120.500 -0.012 0.000 3.930 80 R HA -0.267 4.073 4.340 0.000 0.000 0.297 80 R C 0.168 176.453 176.300 -0.026 0.000 1.252 80 R CA 2.143 58.234 56.100 -0.014 0.000 0.887 80 R CB -1.529 28.768 30.300 -0.004 0.000 1.242 80 R HN 0.435 nan 8.270 nan 0.000 0.546 81 R N 2.163 122.644 120.500 -0.031 0.000 2.489 81 R HA 0.145 4.485 4.340 0.000 0.000 0.287 81 R C -1.860 174.396 176.300 -0.073 0.000 1.053 81 R CA -1.403 54.668 56.100 -0.047 0.000 1.036 81 R CB 0.641 30.917 30.300 -0.040 0.000 0.966 81 R HN 0.094 nan 8.270 nan 0.000 0.432 82 P HA 0.007 nan 4.420 nan 0.000 0.270 82 P C -0.429 176.776 177.300 -0.158 0.000 1.242 82 P CA 0.182 63.180 63.100 -0.170 0.000 0.768 82 P CB 1.014 32.538 31.700 -0.293 0.000 0.820 83 E N 1.824 121.962 120.200 -0.104 0.000 2.051 83 E HA -0.101 4.249 4.350 0.000 0.000 0.189 83 E C 0.453 177.034 176.600 -0.031 0.000 0.979 83 E CA 1.268 57.633 56.400 -0.059 0.000 0.803 83 E CB 0.101 29.787 29.700 -0.023 0.000 0.761 83 E HN 0.604 nan 8.360 nan 0.000 0.451 84 H N -0.201 118.769 119.070 -0.166 0.000 3.083 84 H HA 0.245 4.801 4.556 0.000 0.000 0.339 84 H C -1.164 174.025 175.328 -0.231 0.000 1.020 84 H CA -0.628 55.318 56.048 -0.171 0.000 1.360 84 H CB 0.996 30.700 29.762 -0.096 0.000 1.811 84 H HN -0.092 nan 8.280 nan 0.000 0.493 85 V N 2.188 121.854 119.914 -0.414 0.000 2.850 85 V HA 0.597 4.717 4.120 0.000 0.000 0.315 85 V C -0.088 175.690 176.094 -0.527 0.000 1.064 85 V CA -0.711 61.338 62.300 -0.419 0.000 0.979 85 V CB 2.133 33.559 31.823 -0.662 0.000 1.039 85 V HN 0.641 nan 8.190 nan 0.000 0.452 86 D N 1.442 121.589 120.400 -0.422 0.000 2.326 86 D HA 0.628 5.268 4.640 0.000 0.000 0.248 86 D C -1.204 174.657 176.300 -0.732 0.000 1.001 86 D CA 0.071 53.832 54.000 -0.397 0.000 0.961 86 D CB 2.146 42.944 40.800 -0.004 0.000 1.183 86 D HN 0.628 nan 8.370 nan 0.000 0.502 87 F N 0.784 120.696 119.950 -0.063 0.000 2.653 87 F HA 0.256 4.783 4.527 0.000 0.000 0.327 87 F C -0.535 175.159 175.800 -0.177 0.000 1.195 87 F CA -1.057 56.914 58.000 -0.049 0.000 0.993 87 F CB 1.679 40.675 39.000 -0.007 0.000 1.259 87 F HN 0.150 nan 8.300 nan 0.000 0.478 88 F N 5.040 124.958 119.950 -0.054 0.000 2.375 88 F HA 0.491 5.018 4.527 0.000 0.000 0.362 88 F C -0.128 175.660 175.800 -0.020 0.000 1.129 88 F CA -0.996 56.937 58.000 -0.111 0.000 1.154 88 F CB 0.628 39.637 39.000 0.016 0.000 1.205 88 F HN 0.078 nan 8.300 nan 0.000 0.513 89 V N 7.120 126.967 119.914 -0.110 0.000 2.439 89 V HA -0.023 4.097 4.120 0.000 0.000 0.271 89 V C 0.187 176.028 176.094 -0.421 0.000 1.040 89 V CA -0.532 61.658 62.300 -0.183 0.000 1.002 89 V CB 0.038 31.823 31.823 -0.063 0.000 1.000 89 V HN 0.437 nan 8.190 nan 0.000 0.477 90 L N 4.806 125.831 121.223 -0.330 0.000 2.397 90 L HA 0.355 4.695 4.340 0.000 0.000 0.271 90 L C 0.760 177.517 176.870 -0.188 0.000 1.148 90 L CA 1.071 55.715 54.840 -0.327 0.000 0.825 90 L CB 0.958 42.901 42.059 -0.193 0.000 1.117 90 L HN 0.805 nan 8.230 nan 0.000 0.456 91 S N 0.527 116.127 115.700 -0.167 0.000 4.337 91 S HA 0.410 4.880 4.470 0.000 0.000 0.207 91 S C -0.540 174.035 174.600 -0.042 0.000 1.031 91 S CA 0.134 58.301 58.200 -0.056 0.000 1.792 91 S CB 0.442 63.637 63.200 -0.009 0.000 0.767 91 S HN 0.767 nan 8.310 nan 0.000 0.736 92 D N 0.657 121.048 120.400 -0.015 0.000 2.908 92 D HA 0.343 4.983 4.640 0.000 0.000 0.361 92 D C -0.669 175.631 176.300 -0.000 0.000 1.416 92 D CA -0.424 53.569 54.000 -0.011 0.000 0.796 92 D CB 0.184 40.982 40.800 -0.003 0.000 1.185 92 D HN 0.138 nan 8.370 nan 0.000 0.451 93 E N 0.664 120.862 120.200 -0.003 0.000 2.280 93 E HA 0.288 4.638 4.350 0.000 0.000 0.264 93 E C -2.044 174.568 176.600 0.020 0.000 1.064 93 E CA -2.322 54.088 56.400 0.016 0.000 0.900 93 E CB 0.778 30.496 29.700 0.030 0.000 1.123 93 E HN -0.053 nan 8.360 nan 0.000 0.418 94 P HA 0.084 nan 4.420 nan 0.000 0.244 94 P C -0.217 177.109 177.300 0.043 0.000 1.632 94 P CA -0.043 63.073 63.100 0.026 0.000 0.944 94 P CB 0.105 31.816 31.700 0.019 0.000 1.569 95 V N -0.025 119.933 119.914 0.073 0.000 3.212 95 V HA -0.206 3.914 4.120 0.000 0.000 0.280 95 V C 1.204 177.350 176.094 0.087 0.000 1.369 95 V CA 0.860 63.242 62.300 0.136 0.000 1.428 95 V CB 0.088 32.044 31.823 0.221 0.000 0.980 95 V HN 0.306 nan 8.190 nan 0.000 0.527 96 E N 2.618 122.867 120.200 0.082 0.000 2.232 96 E HA 0.829 5.179 4.350 0.000 0.000 0.265 96 E C -0.272 176.322 176.600 -0.010 0.000 1.001 96 E CA -0.592 55.806 56.400 -0.004 0.000 0.870 96 E CB 1.810 31.477 29.700 -0.056 0.000 1.175 96 E HN 0.695 nan 8.360 nan 0.000 0.407 97 M N -0.922 118.613 119.600 -0.107 0.000 3.043 97 M HA 0.320 4.800 4.480 0.000 0.000 0.264 97 M C -2.067 174.146 176.300 -0.145 0.000 0.969 97 M CA -0.858 54.401 55.300 -0.068 0.000 0.785 97 M CB 0.907 33.541 32.600 0.056 0.000 1.634 97 M HN 0.359 nan 8.290 nan 0.000 0.560 98 Y N 0.314 120.655 120.300 0.068 0.000 2.387 98 Y HA 0.836 5.386 4.550 0.000 0.000 0.330 98 Y C -0.312 175.668 175.900 0.132 0.000 1.133 98 Y CA -0.897 57.264 58.100 0.103 0.000 1.152 98 Y CB 2.039 40.559 38.460 0.100 0.000 1.215 98 Y HN 0.517 nan 8.280 nan 0.000 0.466 99 V N 3.145 123.236 119.914 0.295 0.000 2.760 99 V HA 0.383 4.503 4.120 0.000 0.000 0.309 99 V C -2.495 173.732 176.094 0.222 0.000 1.077 99 V CA -2.676 59.769 62.300 0.242 0.000 0.910 99 V CB 2.105 34.006 31.823 0.130 0.000 1.008 99 V HN 0.552 nan 8.190 nan 0.000 0.424 100 P HA 0.145 nan 4.420 nan 0.000 0.267 100 P C -1.133 176.236 177.300 0.115 0.000 1.195 100 P CA 0.154 63.272 63.100 0.030 0.000 0.773 100 P CB 0.379 32.002 31.700 -0.128 0.000 0.837 101 L N 2.944 124.150 121.223 -0.028 0.000 2.410 101 L HA 0.468 4.808 4.340 0.000 0.000 0.270 101 L C 0.222 176.709 176.870 -0.638 0.000 0.983 101 L CA -0.037 54.756 54.840 -0.078 0.000 0.822 101 L CB 2.081 44.218 42.059 0.131 0.000 1.285 101 L HN 0.191 nan 8.230 nan 0.000 0.409 102 R N 3.037 123.274 120.500 -0.438 0.000 2.320 102 R HA 0.464 4.804 4.340 0.000 0.000 0.319 102 R C -1.300 174.768 176.300 -0.386 0.000 0.969 102 R CA -0.371 55.353 56.100 -0.627 0.000 0.857 102 R CB 0.815 30.785 30.300 -0.550 0.000 1.160 102 R HN 0.335 nan 8.270 nan 0.000 0.491 103 F N 2.153 122.123 119.950 0.033 0.000 2.560 103 F HA 0.150 4.677 4.527 0.000 0.000 0.338 103 F C 0.832 176.643 175.800 0.019 0.000 1.201 103 F CA -1.230 56.792 58.000 0.036 0.000 1.291 103 F CB 0.372 39.389 39.000 0.028 0.000 1.627 103 F HN 0.167 nan 8.300 nan 0.000 0.588 104 V N 3.530 123.496 119.914 0.086 0.000 2.620 104 V HA 0.369 4.489 4.120 0.000 0.000 0.250 104 V C 0.612 176.748 176.094 0.071 0.000 0.990 104 V CA 1.333 63.663 62.300 0.050 0.000 1.196 104 V CB -1.005 30.841 31.823 0.038 0.000 1.075 104 V HN 0.986 nan 8.190 nan 0.000 0.473 105 G N 4.013 112.857 108.800 0.074 0.000 2.353 105 G HA2 0.233 4.193 3.960 0.000 0.000 0.424 105 G HA3 0.233 4.193 3.960 0.000 0.000 0.424 105 G C -0.473 174.471 174.900 0.075 0.000 1.320 105 G CA -0.322 44.815 45.100 0.062 0.000 0.995 105 G HN 1.524 nan 8.290 nan 0.000 0.580 106 T N 0.272 114.856 114.554 0.050 0.000 2.792 106 T HA 0.778 5.128 4.350 0.000 0.000 0.280 106 T C -1.743 172.973 174.700 0.027 0.000 0.990 106 T CA -1.089 61.036 62.100 0.041 0.000 0.960 106 T CB 2.010 70.895 68.868 0.030 0.000 0.939 106 T HN 0.717 nan 8.240 nan 0.000 0.439 107 P HA -0.002 nan 4.420 nan 0.000 0.272 107 P C 0.787 178.089 177.300 0.003 0.000 1.210 107 P CA -0.166 62.936 63.100 0.002 0.000 0.789 107 P CB 0.289 31.980 31.700 -0.016 0.000 0.849 108 A N 0.967 123.787 122.820 -0.000 0.000 2.207 108 A HA 0.205 4.525 4.320 0.000 0.000 0.205 108 A C 1.211 178.794 177.584 -0.001 0.000 1.310 108 A CA 0.810 52.847 52.037 0.000 0.000 0.926 108 A CB -1.382 17.617 19.000 -0.002 0.000 0.778 108 A HN 0.677 nan 8.150 nan 0.000 0.497 109 G N -0.950 107.849 108.800 -0.002 0.000 3.114 109 G HA2 0.478 4.438 3.960 0.000 0.000 0.320 109 G HA3 0.478 4.438 3.960 0.000 0.000 0.320 109 G C -0.959 173.942 174.900 0.001 0.000 1.453 109 G CA -0.073 45.026 45.100 -0.002 0.000 1.084 109 G HN 0.750 nan 8.290 nan 0.000 0.516 110 V N 3.719 123.635 119.914 0.003 0.000 3.557 110 V HA 0.517 4.637 4.120 0.000 0.000 0.335 110 V C 0.239 176.336 176.094 0.005 0.000 1.061 110 V CA -0.293 62.010 62.300 0.005 0.000 1.507 110 V CB 0.343 32.171 31.823 0.008 0.000 0.821 110 V HN 0.806 nan 8.190 nan 0.000 0.496 111 R N 2.590 123.092 120.500 0.004 0.000 3.578 111 R HA 0.601 4.941 4.340 0.000 0.000 0.131 111 R C 1.005 177.307 176.300 0.003 0.000 0.722 111 R CA 1.152 57.254 56.100 0.003 0.000 1.328 111 R CB 0.878 31.179 30.300 0.003 0.000 1.650 111 R HN 0.684 nan 8.270 nan 0.000 0.485 112 A N -0.285 122.536 122.820 0.003 0.000 2.709 112 A HA 0.374 4.694 4.320 0.000 0.000 0.212 112 A C -0.046 177.539 177.584 0.002 0.000 1.280 112 A CA 0.385 52.424 52.037 0.003 0.000 1.034 112 A CB 1.409 20.410 19.000 0.002 0.000 1.255 112 A HN 0.344 nan 8.150 nan 0.000 0.547 113 G N -0.240 108.561 108.800 0.002 0.000 2.965 113 G HA2 0.612 4.572 3.960 0.000 0.000 0.301 113 G HA3 0.612 4.572 3.960 0.000 0.000 0.301 113 G C -0.215 174.684 174.900 -0.000 0.000 1.878 113 G CA 0.459 45.559 45.100 0.001 0.000 0.828 113 G HN 1.584 nan 8.290 nan 0.000 0.435 114 G N -0.469 108.331 108.800 -0.000 0.000 1.837 114 G HA2 0.480 4.440 3.960 0.000 0.000 0.207 114 G HA3 0.480 4.440 3.960 0.000 0.000 0.207 114 G C -0.837 174.063 174.900 0.000 0.000 1.659 114 G CA -0.044 45.055 45.100 -0.002 0.000 0.956 114 G HN 1.239 nan 8.290 nan 0.000 0.655 115 V N 3.761 123.675 119.914 -0.001 0.000 2.786 115 V HA 0.274 4.394 4.120 0.000 0.000 0.326 115 V C 0.777 176.872 176.094 0.001 0.000 1.185 115 V CA -0.537 61.766 62.300 0.004 0.000 1.355 115 V CB 0.847 32.674 31.823 0.007 0.000 1.275 115 V HN 1.036 nan 8.190 nan 0.000 0.611 116 L N 1.953 123.169 121.223 -0.011 0.000 3.963 116 L HA -0.182 4.158 4.340 0.000 0.000 0.470 116 L C 0.766 177.624 176.870 -0.019 0.000 1.007 116 L CA 1.180 56.000 54.840 -0.034 0.000 0.675 116 L CB 0.405 42.436 42.059 -0.048 0.000 1.045 116 L HN 0.752 nan 8.230 nan 0.000 0.885 117 Q N 4.960 124.742 119.800 -0.029 0.000 2.249 117 Q HA 0.217 4.557 4.340 0.000 0.000 0.226 117 Q C -0.572 175.426 176.000 -0.004 0.000 0.983 117 Q CA -0.722 55.079 55.803 -0.003 0.000 0.930 117 Q CB 0.942 29.682 28.738 0.002 0.000 1.193 117 Q HN 0.695 nan 8.270 nan 0.000 0.508 118 E N 3.036 123.262 120.200 0.043 0.000 2.055 118 E HA 0.316 4.666 4.350 0.000 0.000 0.274 118 E C -0.917 175.735 176.600 0.087 0.000 0.949 118 E CA -0.311 56.142 56.400 0.088 0.000 0.775 118 E CB 0.393 30.169 29.700 0.126 0.000 1.097 118 E HN 0.443 nan 8.360 nan 0.000 0.404 119 I N 3.022 123.650 120.570 0.098 0.000 2.382 119 I HA 0.161 4.331 4.170 0.000 0.000 0.285 119 I C -0.690 175.597 176.117 0.284 0.000 1.007 119 I CA -1.115 60.282 61.300 0.161 0.000 1.142 119 I CB 0.410 38.485 38.000 0.125 0.000 1.289 119 I HN 0.596 nan 8.210 nan 0.000 0.453 120 H N 4.126 123.261 119.070 0.109 0.000 2.750 120 H HA -0.138 4.418 4.556 0.000 0.000 0.327 120 H C 1.214 176.664 175.328 0.204 0.000 1.199 120 H CA 0.155 56.290 56.048 0.146 0.000 1.149 120 H CB -0.979 28.875 29.762 0.154 0.000 1.543 120 H HN 0.561 nan 8.280 nan 0.000 0.427 121 R N 0.249 120.894 120.500 0.241 0.000 2.226 121 R HA -0.114 4.226 4.340 0.000 0.000 0.246 121 R C 0.266 176.690 176.300 0.208 0.000 1.161 121 R CA 1.805 58.056 56.100 0.252 0.000 0.997 121 R CB -0.070 30.300 30.300 0.118 0.000 0.870 121 R HN 0.635 nan 8.270 nan 0.000 0.465 122 D N -1.313 119.227 120.400 0.234 0.000 2.523 122 D HA 0.477 5.117 4.640 0.000 0.000 0.236 122 D C -0.782 175.754 176.300 0.393 0.000 1.094 122 D CA -0.784 53.386 54.000 0.283 0.000 0.942 122 D CB 1.568 42.561 40.800 0.320 0.000 1.447 122 D HN -0.048 nan 8.370 nan 0.000 0.479 123 I N 0.427 121.225 120.570 0.380 0.000 2.656 123 I HA 0.372 4.542 4.170 0.000 0.000 0.292 123 I C -1.397 174.842 176.117 0.203 0.000 1.144 123 I CA -1.415 60.115 61.300 0.383 0.000 1.038 123 I CB 1.690 39.837 38.000 0.245 0.000 1.244 123 I HN 0.532 nan 8.210 nan 0.000 0.420 124 L N 8.424 129.665 121.223 0.031 0.000 2.499 124 L HA 0.376 4.716 4.340 0.000 0.000 0.281 124 L C -0.466 176.339 176.870 -0.109 0.000 1.234 124 L CA 0.777 55.438 54.840 -0.298 0.000 0.839 124 L CB 0.960 42.744 42.059 -0.458 0.000 1.104 124 L HN 0.514 nan 8.230 nan 0.000 0.500 125 V N 0.631 120.476 119.914 -0.116 0.000 3.089 125 V HA 0.662 4.782 4.120 0.000 0.000 0.312 125 V C -0.836 175.229 176.094 -0.048 0.000 1.433 125 V CA -0.803 61.466 62.300 -0.051 0.000 1.025 125 V CB 1.569 33.381 31.823 -0.019 0.000 1.077 125 V HN 0.895 nan 8.190 nan 0.000 0.478 126 K N 0.203 120.589 120.400 -0.023 0.000 2.987 126 K HA 0.622 4.942 4.320 0.000 0.000 0.224 126 K C -1.852 174.745 176.600 -0.005 0.000 1.209 126 K CA -0.114 56.166 56.287 -0.011 0.000 0.971 126 K CB 1.795 34.289 32.500 -0.009 0.000 1.252 126 K HN 0.796 nan 8.250 nan 0.000 0.580 127 V N 0.548 120.460 119.914 -0.004 0.000 3.770 127 V HA 0.605 4.725 4.120 0.000 0.000 0.288 127 V C -0.564 175.529 176.094 -0.002 0.000 1.291 127 V CA -0.270 62.026 62.300 -0.007 0.000 0.948 127 V CB 1.981 33.795 31.823 -0.015 0.000 1.269 127 V HN 0.662 nan 8.190 nan 0.000 0.469 128 S N -0.501 115.193 115.700 -0.009 0.000 2.704 128 S HA 0.619 5.089 4.470 0.000 0.000 0.305 128 S C -2.554 172.036 174.600 -0.016 0.000 1.107 128 S CA -1.408 56.787 58.200 -0.009 0.000 0.993 128 S CB 1.693 64.886 63.200 -0.011 0.000 1.110 128 S HN 0.550 nan 8.310 nan 0.000 0.534 129 P HA 0.324 nan 4.420 nan 0.000 0.259 129 P C -0.122 177.160 177.300 -0.031 0.000 1.480 129 P CA 0.161 63.241 63.100 -0.033 0.000 0.842 129 P CB -0.009 31.663 31.700 -0.048 0.000 1.513 130 R N -1.850 118.634 120.500 -0.026 0.000 2.871 130 R HA 0.162 4.502 4.340 0.000 0.000 0.176 130 R C 0.379 176.664 176.300 -0.025 0.000 0.830 130 R CA 0.019 56.104 56.100 -0.025 0.000 1.160 130 R CB -0.221 30.066 30.300 -0.021 0.000 1.614 130 R HN 0.002 nan 8.270 nan 0.000 0.596 131 N N 2.552 121.237 118.700 -0.025 0.000 3.052 131 N HA 0.169 4.909 4.740 0.000 0.000 0.302 131 N C -0.624 174.865 175.510 -0.036 0.000 1.332 131 N CA 0.213 53.246 53.050 -0.028 0.000 1.129 131 N CB 0.388 38.861 38.487 -0.024 0.000 1.436 131 N HN 0.239 nan 8.380 nan 0.000 0.536 132 I N 2.031 122.576 120.570 -0.043 0.000 2.294 132 I HA 0.163 4.333 4.170 0.000 0.000 0.295 132 I C -1.526 174.533 176.117 -0.096 0.000 1.098 132 I CA -1.645 59.613 61.300 -0.070 0.000 1.277 132 I CB -0.034 37.919 38.000 -0.079 0.000 1.434 132 I HN -0.075 nan 8.210 nan 0.000 0.498 133 P HA -0.031 nan 4.420 nan 0.000 0.268 133 P C 0.180 177.422 177.300 -0.097 0.000 1.208 133 P CA 0.035 63.089 63.100 -0.078 0.000 0.777 133 P CB 1.387 33.047 31.700 -0.067 0.000 0.875 134 E N 0.736 120.983 120.200 0.079 0.000 2.400 134 E HA 0.128 4.478 4.350 0.000 0.000 0.195 134 E C -0.024 176.868 176.600 0.487 0.000 1.012 134 E CA -0.061 56.600 56.400 0.434 0.000 0.875 134 E CB 0.141 30.116 29.700 0.458 0.000 0.859 134 E HN 0.534 nan 8.360 nan 0.000 0.498 135 F N -2.135 117.837 119.950 0.037 0.000 2.817 135 F HA 0.226 4.753 4.527 0.000 0.000 0.331 135 F C -2.351 173.446 175.800 -0.004 0.000 1.084 135 F CA -1.262 56.741 58.000 0.005 0.000 0.848 135 F CB 0.435 39.420 39.000 -0.024 0.000 2.518 135 F HN -0.297 nan 8.300 nan 0.000 0.401 136 I N 2.336 122.854 120.570 -0.086 0.000 2.447 136 I HA 0.366 4.536 4.170 0.000 0.000 0.287 136 I C -0.550 175.631 176.117 0.106 0.000 1.023 136 I CA -0.665 60.525 61.300 -0.183 0.000 1.083 136 I CB 1.962 39.941 38.000 -0.034 0.000 1.245 136 I HN 0.733 nan 8.210 nan 0.000 0.434 137 E N 6.003 126.243 120.200 0.066 0.000 2.292 137 E HA 0.754 5.104 4.350 0.000 0.000 0.258 137 E C -1.077 175.625 176.600 0.169 0.000 1.115 137 E CA -0.786 55.768 56.400 0.257 0.000 0.929 137 E CB 1.878 31.789 29.700 0.351 0.000 1.161 137 E HN 0.240 nan 8.360 nan 0.000 0.453 138 V N 0.681 120.720 119.914 0.209 0.000 3.049 138 V HA 0.100 4.220 4.120 0.000 0.000 0.309 138 V C -0.895 175.300 176.094 0.168 0.000 1.148 138 V CA -0.892 61.528 62.300 0.199 0.000 0.990 138 V CB 2.095 34.091 31.823 0.288 0.000 1.039 138 V HN 0.920 nan 8.190 nan 0.000 0.430 139 D N 1.927 122.393 120.400 0.110 0.000 3.134 139 D HA 0.016 4.656 4.640 0.000 0.000 0.248 139 D C 0.169 176.510 176.300 0.068 0.000 1.273 139 D CA -0.207 53.842 54.000 0.081 0.000 0.904 139 D CB 1.096 41.927 40.800 0.051 0.000 1.089 139 D HN 0.240 nan 8.370 nan 0.000 0.478 140 V N 1.939 121.909 119.914 0.092 0.000 2.425 140 V HA 0.082 4.202 4.120 0.000 0.000 0.276 140 V C 0.922 177.040 176.094 0.040 0.000 1.017 140 V CA 1.117 63.447 62.300 0.050 0.000 1.062 140 V CB 0.386 32.237 31.823 0.047 0.000 0.997 140 V HN 0.563 nan 8.190 nan 0.000 0.476 141 S N 3.524 119.236 115.700 0.019 0.000 2.615 141 S HA 0.317 4.787 4.470 0.000 0.000 0.277 141 S C 0.778 175.381 174.600 0.005 0.000 1.068 141 S CA 0.299 58.509 58.200 0.017 0.000 1.315 141 S CB 0.574 63.786 63.200 0.020 0.000 1.193 141 S HN 1.274 nan 8.310 nan 0.000 0.656 142 G N 1.559 110.357 108.800 -0.003 0.000 4.917 142 G HA2 0.477 4.437 3.960 0.000 0.000 0.244 142 G HA3 0.477 4.437 3.960 0.000 0.000 0.244 142 G C -0.376 174.512 174.900 -0.019 0.000 1.072 142 G CA -0.228 44.867 45.100 -0.009 0.000 0.850 142 G HN 0.276 nan 8.290 nan 0.000 0.559 143 L N 1.184 122.392 121.223 -0.024 0.000 2.825 143 L HA 0.334 4.674 4.340 0.000 0.000 0.236 143 L C 1.048 177.901 176.870 -0.028 0.000 1.301 143 L CA -0.383 54.435 54.840 -0.036 0.000 0.977 143 L CB 0.282 42.308 42.059 -0.055 0.000 1.300 143 L HN 0.244 nan 8.230 nan 0.000 0.486 144 E N 2.516 122.704 120.200 -0.019 0.000 2.076 144 E HA -0.083 4.267 4.350 0.000 0.000 0.252 144 E C 0.794 177.385 176.600 -0.014 0.000 0.882 144 E CA 1.195 57.587 56.400 -0.013 0.000 1.278 144 E CB 0.250 29.945 29.700 -0.009 0.000 0.848 144 E HN 0.554 nan 8.360 nan 0.000 0.603 145 I N -3.171 117.393 120.570 -0.010 0.000 2.778 145 I HA 0.611 4.781 4.170 0.000 0.000 0.285 145 I C 0.492 176.606 176.117 -0.005 0.000 1.236 145 I CA 0.065 61.361 61.300 -0.007 0.000 1.089 145 I CB 0.873 38.871 38.000 -0.004 0.000 1.601 145 I HN 0.381 nan 8.210 nan 0.000 0.573 146 G N 2.299 111.095 108.800 -0.007 0.000 3.468 146 G HA2 -0.136 3.824 3.960 0.000 0.000 0.219 146 G HA3 -0.136 3.824 3.960 0.000 0.000 0.219 146 G C -0.487 174.409 174.900 -0.006 0.000 0.968 146 G CA -0.433 44.666 45.100 -0.002 0.000 0.851 146 G HN 0.461 nan 8.290 nan 0.000 0.524 147 D N 1.916 122.303 120.400 -0.021 0.000 2.392 147 D HA 0.590 5.230 4.640 0.000 0.000 0.228 147 D C 0.252 176.513 176.300 -0.065 0.000 1.074 147 D CA 0.445 54.420 54.000 -0.041 0.000 0.838 147 D CB 1.508 42.284 40.800 -0.040 0.000 1.067 147 D HN 0.375 nan 8.370 nan 0.000 0.511 148 S N 2.446 118.090 115.700 -0.094 0.000 2.715 148 S HA 0.627 5.097 4.470 0.000 0.000 0.307 148 S C -0.153 174.304 174.600 -0.239 0.000 1.119 148 S CA -0.994 57.135 58.200 -0.119 0.000 0.937 148 S CB 1.572 64.745 63.200 -0.046 0.000 1.150 148 S HN 0.313 nan 8.310 nan 0.000 0.521 149 L N 1.628 122.735 121.223 -0.195 0.000 2.264 149 L HA 0.621 4.961 4.340 0.000 0.000 0.287 149 L C -0.275 176.520 176.870 -0.126 0.000 1.039 149 L CA -0.440 54.277 54.840 -0.205 0.000 0.829 149 L CB -0.766 41.215 42.059 -0.129 0.000 1.211 149 L HN 1.144 nan 8.230 nan 0.000 0.427 150 H N 1.108 120.159 119.070 -0.031 0.000 3.643 150 H HA 0.542 5.098 4.556 0.000 0.000 0.256 150 H C 0.515 175.828 175.328 -0.025 0.000 1.107 150 H CA 0.085 56.113 56.048 -0.033 0.000 1.175 150 H CB 0.160 29.901 29.762 -0.035 0.000 1.519 150 H HN 0.650 nan 8.280 nan 0.000 0.565 151 A N 1.176 124.061 122.820 0.108 0.000 2.401 151 A HA 0.366 4.686 4.320 0.000 0.000 0.259 151 A C 0.598 178.210 177.584 0.047 0.000 1.103 151 A CA 0.141 52.242 52.037 0.106 0.000 0.789 151 A CB 0.113 19.142 19.000 0.047 0.000 1.035 151 A HN 0.436 nan 8.150 nan 0.000 0.491 152 S N 1.768 117.494 115.700 0.045 0.000 2.962 152 S HA 0.130 4.600 4.470 0.000 0.000 0.320 152 S C -0.494 174.119 174.600 0.022 0.000 1.186 152 S CA -0.286 57.932 58.200 0.030 0.000 1.180 152 S CB -0.798 62.416 63.200 0.024 0.000 1.491 152 S HN 0.511 nan 8.310 nan 0.000 0.556 153 D N 4.998 125.409 120.400 0.020 0.000 2.891 153 D HA 0.270 4.910 4.640 0.000 0.000 0.332 153 D C 0.151 176.462 176.300 0.019 0.000 1.369 153 D CA -0.151 53.857 54.000 0.013 0.000 0.827 153 D CB 0.276 41.078 40.800 0.003 0.000 1.141 153 D HN 0.420 nan 8.370 nan 0.000 0.464 154 L N -0.348 120.889 121.223 0.023 0.000 2.578 154 L HA 0.502 4.842 4.340 0.000 0.000 0.259 154 L C 0.506 177.382 176.870 0.010 0.000 1.082 154 L CA -1.057 53.798 54.840 0.025 0.000 0.843 154 L CB 1.068 43.149 42.059 0.037 0.000 1.535 154 L HN -0.240 nan 8.230 nan 0.000 0.510 155 K N 1.186 121.587 120.400 0.001 0.000 2.527 155 K HA 0.436 4.756 4.320 0.000 0.000 0.240 155 K C -1.709 174.878 176.600 -0.021 0.000 0.989 155 K CA -0.555 55.724 56.287 -0.012 0.000 0.985 155 K CB 0.596 33.083 32.500 -0.022 0.000 1.221 155 K HN 0.325 nan 8.250 nan 0.000 0.458 156 L N 6.715 127.929 121.223 -0.015 0.000 2.334 156 L HA 0.305 4.645 4.340 0.000 0.000 0.286 156 L C -1.776 175.080 176.870 -0.024 0.000 1.108 156 L CA -1.588 53.241 54.840 -0.018 0.000 0.875 156 L CB 0.090 42.144 42.059 -0.008 0.000 1.246 156 L HN 0.581 nan 8.230 nan 0.000 0.439 157 P HA -0.062 nan 4.420 nan 0.000 0.275 157 P C -2.404 174.879 177.300 -0.029 0.000 1.271 157 P CA -0.890 62.187 63.100 -0.039 0.000 0.861 157 P CB -0.622 31.045 31.700 -0.056 0.000 1.071 158 P HA -0.128 nan 4.420 nan 0.000 0.252 158 P C 1.212 178.500 177.300 -0.019 0.000 1.136 158 P CA 2.337 65.424 63.100 -0.022 0.000 0.778 158 P CB -0.932 30.754 31.700 -0.024 0.000 0.722 159 G N 2.364 111.155 108.800 -0.015 0.000 2.382 159 G HA2 -0.344 3.616 3.960 0.000 0.000 0.259 159 G HA3 -0.344 3.616 3.960 0.000 0.000 0.259 159 G C 0.431 175.323 174.900 -0.012 0.000 1.009 159 G CA 0.195 45.288 45.100 -0.012 0.000 0.625 159 G HN 0.549 nan 8.290 nan 0.000 0.541 160 V N 1.859 121.763 119.914 -0.016 0.000 2.536 160 V HA 0.258 4.378 4.120 0.000 0.000 0.287 160 V C 0.705 176.792 176.094 -0.011 0.000 0.979 160 V CA 1.399 63.689 62.300 -0.016 0.000 1.161 160 V CB 0.760 32.570 31.823 -0.022 0.000 0.915 160 V HN 0.547 nan 8.190 nan 0.000 0.467 161 E N 4.319 124.513 120.200 -0.009 0.000 2.244 161 E HA 0.526 4.876 4.350 0.000 0.000 0.266 161 E C -0.641 175.955 176.600 -0.007 0.000 0.914 161 E CA -1.071 55.324 56.400 -0.007 0.000 0.794 161 E CB 1.590 31.286 29.700 -0.007 0.000 1.210 161 E HN 0.435 nan 8.360 nan 0.000 0.414 162 L N 1.704 122.925 121.223 -0.004 0.000 2.456 162 L HA 0.224 4.564 4.340 0.000 0.000 0.266 162 L C 0.492 177.356 176.870 -0.011 0.000 1.258 162 L CA 1.061 55.898 54.840 -0.003 0.000 0.823 162 L CB 0.322 42.381 42.059 0.000 0.000 1.100 162 L HN 0.722 nan 8.230 nan 0.000 0.531 163 A N 0.145 122.958 122.820 -0.012 0.000 3.124 163 A HA 0.549 4.869 4.320 0.000 0.000 0.204 163 A C -0.252 177.324 177.584 -0.014 0.000 1.231 163 A CA -0.108 51.916 52.037 -0.021 0.000 1.295 163 A CB -0.506 18.466 19.000 -0.047 0.000 1.221 163 A HN 0.377 nan 8.150 nan 0.000 0.744 164 V N -1.214 118.696 119.914 -0.006 0.000 5.565 164 V HA 0.468 4.588 4.120 0.000 0.000 0.103 164 V C 1.563 177.653 176.094 -0.006 0.000 0.857 164 V CA 0.742 63.039 62.300 -0.005 0.000 1.349 164 V CB 0.840 32.655 31.823 -0.012 0.000 2.344 164 V HN 0.344 nan 8.190 nan 0.000 0.429 165 S N -0.644 115.051 115.700 -0.009 0.000 3.325 165 S HA 0.342 4.812 4.470 0.000 0.000 0.254 165 S C -2.148 172.450 174.600 -0.004 0.000 1.084 165 S CA 0.098 58.293 58.200 -0.009 0.000 0.786 165 S CB -0.330 62.859 63.200 -0.017 0.000 0.849 165 S HN 0.644 nan 8.310 nan 0.000 0.483 166 P HA 0.626 nan 4.420 nan 0.000 0.301 166 P C -0.032 177.268 177.300 0.001 0.000 1.338 166 P CA -0.264 62.838 63.100 0.003 0.000 0.834 166 P CB 1.928 33.637 31.700 0.016 0.000 0.967 167 E N 0.998 121.186 120.200 -0.020 0.000 3.567 167 E HA 0.026 4.376 4.350 0.000 0.000 0.207 167 E C -0.389 176.175 176.600 -0.059 0.000 1.278 167 E CA -0.111 56.255 56.400 -0.058 0.000 1.316 167 E CB -0.028 29.617 29.700 -0.091 0.000 2.414 167 E HN 0.435 nan 8.360 nan 0.000 0.544 168 E N 2.739 122.885 120.200 -0.089 0.000 3.713 168 E HA -0.149 4.201 4.350 0.000 0.000 0.301 168 E C -0.449 176.118 176.600 -0.055 0.000 0.787 168 E CA 0.811 57.140 56.400 -0.119 0.000 1.014 168 E CB 0.078 29.625 29.700 -0.255 0.000 0.949 168 E HN 0.336 nan 8.360 nan 0.000 0.546 169 T N 1.851 116.408 114.554 0.005 0.000 2.816 169 T HA 0.423 4.773 4.350 0.000 0.000 0.282 169 T C 1.420 176.138 174.700 0.031 0.000 0.993 169 T CA 0.118 62.272 62.100 0.090 0.000 0.994 169 T CB 0.567 69.508 68.868 0.121 0.000 1.025 169 T HN 0.612 nan 8.240 nan 0.000 0.529 170 I N -2.628 117.954 120.570 0.020 0.000 4.338 170 I HA 0.692 4.862 4.170 0.000 0.000 0.329 170 I C 0.415 176.474 176.117 -0.096 0.000 1.378 170 I CA -0.833 60.483 61.300 0.027 0.000 1.170 170 I CB 0.370 38.405 38.000 0.058 0.000 1.206 170 I HN 0.806 nan 8.210 nan 0.000 0.432 171 A N 1.959 124.705 122.820 -0.123 0.000 1.715 171 A HA 0.675 4.995 4.320 0.000 0.000 0.273 171 A C -0.605 176.905 177.584 -0.123 0.000 1.136 171 A CA -0.019 51.910 52.037 -0.179 0.000 0.907 171 A CB -0.564 18.169 19.000 -0.445 0.000 1.152 171 A HN 0.428 nan 8.150 nan 0.000 0.375 172 A N 1.691 124.479 122.820 -0.054 0.000 2.269 172 A HA 0.596 4.916 4.320 0.000 0.000 0.302 172 A C 0.354 177.917 177.584 -0.034 0.000 1.266 172 A CA -0.300 51.718 52.037 -0.032 0.000 0.894 172 A CB 0.249 19.251 19.000 0.004 0.000 1.147 172 A HN 1.601 nan 8.150 nan 0.000 0.537 173 V N 5.387 125.277 119.914 -0.040 0.000 2.356 173 V HA 0.048 4.168 4.120 0.000 0.000 0.244 173 V C 0.903 176.989 176.094 -0.014 0.000 1.120 173 V CA 0.157 62.440 62.300 -0.030 0.000 1.181 173 V CB -1.128 30.677 31.823 -0.031 0.000 1.244 173 V HN 0.715 nan 8.190 nan 0.000 0.487 174 V N 4.643 124.552 119.914 -0.008 0.000 3.096 174 V HA 0.391 4.511 4.120 0.000 0.000 0.306 174 V C -1.052 175.042 176.094 -0.000 0.000 1.088 174 V CA -1.376 60.924 62.300 -0.001 0.000 1.129 174 V CB 0.077 31.901 31.823 0.003 0.000 1.014 174 V HN 0.656 nan 8.190 nan 0.000 0.486 175 P HA 0.347 nan 4.420 nan 0.000 0.273 175 P C -2.560 174.742 177.300 0.003 0.000 1.250 175 P CA -1.015 62.086 63.100 0.002 0.000 0.793 175 P CB -0.363 31.339 31.700 0.003 0.000 1.011 176 P HA 0.313 nan 4.420 nan 0.000 0.284 176 P C -0.092 177.211 177.300 0.004 0.000 1.253 176 P CA -0.108 62.994 63.100 0.004 0.000 0.800 176 P CB 2.082 33.784 31.700 0.003 0.000 0.961 177 E N 0.980 121.183 120.200 0.004 0.000 2.907 177 E HA 0.311 4.661 4.350 0.000 0.000 0.197 177 E C 0.331 176.933 176.600 0.004 0.000 1.150 177 E CA 0.518 56.920 56.400 0.004 0.000 1.134 177 E CB 0.352 30.055 29.700 0.005 0.000 2.214 177 E HN 0.753 nan 8.360 nan 0.000 0.541 178 D N 0.000 120.403 120.400 0.005 0.000 6.856 178 D HA 0.000 4.640 4.640 0.000 0.000 0.175 178 D CA 0.000 nan 54.000 nan 0.000 0.868 178 D CB 0.000 nan 40.800 nan 0.000 0.688 178 D HN 0.000 nan 8.370 nan 0.000 0.683