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 3kno_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 0.000 175.861 175.900 -0.066 0.000 1.272 2 Y CA 0.000 58.064 58.100 -0.060 0.000 1.940 2 Y CB 0.000 38.425 38.460 -0.058 0.000 1.050 3 R N 0.662 121.247 120.500 0.142 0.000 2.824 3 R HA 0.613 4.953 4.340 0.000 0.000 0.267 3 R C -2.751 173.549 176.300 -0.000 0.000 1.035 3 R CA -0.501 55.614 56.100 0.025 0.000 0.887 3 R CB 1.838 32.137 30.300 -0.002 0.000 1.262 3 R HN 0.686 nan 8.270 nan 0.000 0.487 4 L N 1.054 122.249 121.223 -0.046 0.000 2.838 4 L HA 0.518 4.858 4.340 0.000 0.000 0.266 4 L C -0.932 175.881 176.870 -0.094 0.000 1.040 4 L CA -0.681 54.131 54.840 -0.046 0.000 0.906 4 L CB 2.019 44.062 42.059 -0.027 0.000 1.501 4 L HN 0.780 nan 8.230 nan 0.000 0.407 5 K N 1.111 121.460 120.400 -0.084 0.000 2.774 5 K HA 0.847 5.167 4.320 0.000 0.000 0.297 5 K C -0.712 175.738 176.600 -0.250 0.000 1.044 5 K CA -0.009 56.170 56.287 -0.179 0.000 1.011 5 K CB 0.201 32.611 32.500 -0.149 0.000 1.214 5 K HN 0.849 nan 8.250 nan 0.000 0.477 6 A N -0.911 121.628 122.820 -0.469 0.000 2.485 6 A HA 0.465 4.785 4.320 0.000 0.000 0.299 6 A C -2.083 174.971 177.584 -0.883 0.000 0.947 6 A CA -0.891 50.882 52.037 -0.439 0.000 0.595 6 A CB 0.166 18.957 19.000 -0.347 0.000 1.397 6 A HN 0.534 nan 8.150 nan 0.000 0.462 7 Y N -1.802 118.241 120.300 -0.429 0.000 2.670 7 Y HA 0.659 5.209 4.550 0.000 0.000 0.334 7 Y C -0.840 174.960 175.900 -0.168 0.000 1.185 7 Y CA -0.833 57.042 58.100 -0.375 0.000 1.053 7 Y CB 0.944 39.010 38.460 -0.656 0.000 1.298 7 Y HN 0.705 nan 8.280 nan 0.000 0.459 8 Y N 1.532 121.875 120.300 0.071 0.000 2.299 8 Y HA 0.395 4.945 4.550 0.000 0.000 0.326 8 Y C 0.340 176.436 175.900 0.327 0.000 1.164 8 Y CA -0.835 57.357 58.100 0.153 0.000 1.234 8 Y CB 1.004 39.534 38.460 0.117 0.000 1.219 8 Y HN 0.363 nan 8.280 nan 0.000 0.497 9 R N 3.185 123.844 120.500 0.265 0.000 2.229 9 R HA 0.187 4.527 4.340 0.000 0.000 0.332 9 R C 0.062 176.459 176.300 0.161 0.000 0.989 9 R CA -0.371 55.883 56.100 0.257 0.000 0.842 9 R CB 0.820 31.232 30.300 0.187 0.000 1.119 9 R HN 0.765 nan 8.270 nan 0.000 0.456 10 E N 2.917 123.209 120.200 0.153 0.000 2.047 10 E HA 0.043 4.393 4.350 0.000 0.000 0.191 10 E C 0.646 177.291 176.600 0.075 0.000 0.987 10 E CA 1.187 57.657 56.400 0.117 0.000 0.799 10 E CB 0.200 29.954 29.700 0.090 0.000 0.752 10 E HN 0.904 nan 8.360 nan 0.000 0.449 11 G N 0.356 109.187 108.800 0.051 0.000 2.587 11 G HA2 0.018 3.978 3.960 0.000 0.000 0.216 11 G HA3 0.018 3.978 3.960 0.000 0.000 0.216 11 G C -0.976 173.931 174.900 0.011 0.000 1.124 11 G CA -0.664 44.456 45.100 0.033 0.000 0.858 11 G HN 0.015 nan 8.290 nan 0.000 0.523 12 E N 0.433 120.627 120.200 -0.010 0.000 2.367 12 E HA 0.651 5.001 4.350 0.000 0.000 0.273 12 E C 0.128 176.703 176.600 -0.042 0.000 0.903 12 E CA -0.898 55.488 56.400 -0.022 0.000 0.764 12 E CB 1.297 30.982 29.700 -0.025 0.000 1.252 12 E HN 0.300 nan 8.360 nan 0.000 0.446 13 K N 1.924 122.303 120.400 -0.035 0.000 4.971 13 K HA -0.193 4.127 4.320 0.000 0.000 0.296 13 K C -1.973 174.597 176.600 -0.050 0.000 0.724 13 K CA -0.036 56.227 56.287 -0.041 0.000 0.844 13 K CB -0.630 31.841 32.500 -0.047 0.000 1.993 13 K HN 0.307 nan 8.250 nan 0.000 0.384 14 P HA -0.203 nan 4.420 nan 0.000 0.223 14 P C 1.367 178.643 177.300 -0.039 0.000 1.144 14 P CA 1.129 64.212 63.100 -0.029 0.000 0.783 14 P CB 0.279 31.977 31.700 -0.003 0.000 0.771 15 S N -0.031 115.647 115.700 -0.037 0.000 2.355 15 S HA -0.126 4.344 4.470 0.000 0.000 0.210 15 S C 2.045 176.617 174.600 -0.047 0.000 1.035 15 S CA 1.381 59.559 58.200 -0.037 0.000 1.011 15 S CB -1.192 61.990 63.200 -0.030 0.000 1.000 15 S HN 0.079 nan 8.310 nan 0.000 0.423 16 A N 1.089 123.878 122.820 -0.051 0.000 2.076 16 A HA -0.012 4.308 4.320 0.000 0.000 0.220 16 A C 2.273 179.808 177.584 -0.081 0.000 1.160 16 A CA 1.506 53.508 52.037 -0.058 0.000 0.653 16 A CB -0.904 18.062 19.000 -0.057 0.000 0.801 16 A HN 0.617 nan 8.150 nan 0.000 0.455 17 L N -0.824 120.338 121.223 -0.102 0.000 2.046 17 L HA -0.223 4.117 4.340 0.000 0.000 0.208 17 L C 2.829 179.636 176.870 -0.104 0.000 1.077 17 L CA 1.747 56.497 54.840 -0.151 0.000 0.747 17 L CB -0.220 41.735 42.059 -0.173 0.000 0.896 17 L HN 0.405 nan 8.230 nan 0.000 0.432 18 R N -1.140 119.317 120.500 -0.071 0.000 2.057 18 R HA -0.144 4.196 4.340 0.000 0.000 0.229 18 R C 2.307 178.581 176.300 -0.042 0.000 1.136 18 R CA 1.109 57.179 56.100 -0.051 0.000 0.952 18 R CB -0.569 29.703 30.300 -0.045 0.000 0.848 18 R HN 0.237 nan 8.270 nan 0.000 0.430 19 R N 1.051 121.525 120.500 -0.043 0.000 2.196 19 R HA -0.318 4.022 4.340 0.000 0.000 0.244 19 R C 2.162 178.443 176.300 -0.031 0.000 1.121 19 R CA 2.244 58.323 56.100 -0.035 0.000 0.930 19 R CB -0.575 29.703 30.300 -0.038 0.000 0.890 19 R HN 0.316 nan 8.270 nan 0.000 0.435 20 A N -1.351 121.445 122.820 -0.040 0.000 1.849 20 A HA -0.119 4.201 4.320 0.000 0.000 0.216 20 A C 1.749 179.324 177.584 -0.015 0.000 1.225 20 A CA 2.357 54.375 52.037 -0.032 0.000 0.653 20 A CB -0.886 18.085 19.000 -0.048 0.000 0.844 20 A HN 0.710 nan 8.150 nan 0.000 0.453 21 G N -3.259 105.536 108.800 -0.008 0.000 4.569 21 G HA2 0.242 4.202 3.960 0.000 0.000 0.221 21 G HA3 0.242 4.202 3.960 0.000 0.000 0.221 21 G C -0.476 174.447 174.900 0.039 0.000 0.778 21 G CA 0.003 45.110 45.100 0.012 0.000 1.115 21 G HN 0.290 nan 8.290 nan 0.000 0.774 22 K N 1.241 121.666 120.400 0.041 0.000 2.334 22 K HA 0.554 4.874 4.320 0.000 0.000 0.265 22 K C -0.079 176.569 176.600 0.079 0.000 1.039 22 K CA -0.800 55.562 56.287 0.124 0.000 0.920 22 K CB 1.463 34.099 32.500 0.226 0.000 1.160 22 K HN 0.180 nan 8.250 nan 0.000 0.451 23 L N 5.926 127.180 121.223 0.052 0.000 2.623 23 L HA 0.232 4.572 4.340 0.000 0.000 0.281 23 L C -2.338 174.500 176.870 -0.054 0.000 1.150 23 L CA -1.516 53.290 54.840 -0.057 0.000 0.965 23 L CB -0.269 41.678 42.059 -0.188 0.000 1.303 23 L HN 0.416 nan 8.230 nan 0.000 0.467 24 P HA 0.151 nan 4.420 nan 0.000 0.260 24 P C 0.069 177.117 177.300 -0.419 0.000 1.172 24 P CA 0.409 63.463 63.100 -0.076 0.000 0.760 24 P CB 0.598 32.272 31.700 -0.043 0.000 0.773 25 G N 1.377 109.971 108.800 -0.342 0.000 3.183 25 G HA2 0.715 4.675 3.960 0.000 0.000 0.247 25 G HA3 0.715 4.675 3.960 0.000 0.000 0.247 25 G C -1.229 173.651 174.900 -0.035 0.000 1.211 25 G CA -0.520 44.180 45.100 -0.666 0.000 0.835 25 G HN 0.573 nan 8.290 nan 0.000 0.604 26 V N -0.505 119.579 119.914 0.282 0.000 3.314 26 V HA 0.677 4.797 4.120 0.000 0.000 0.278 26 V C -1.698 174.580 176.094 0.307 0.000 1.709 26 V CA -0.265 62.242 62.300 0.344 0.000 1.042 26 V CB 2.080 34.173 31.823 0.450 0.000 1.231 26 V HN 1.378 nan 8.190 nan 0.000 0.476 27 M N 3.267 122.965 119.600 0.164 0.000 2.531 27 M HA 0.951 5.431 4.480 0.000 0.000 0.286 27 M C -1.738 174.554 176.300 -0.013 0.000 1.232 27 M CA -0.522 54.742 55.300 -0.060 0.000 0.877 27 M CB 2.411 35.046 32.600 0.058 0.000 1.726 27 M HN 1.341 nan 8.290 nan 0.000 0.463 28 Y N -0.918 119.503 120.300 0.202 0.000 2.717 28 Y HA 0.691 5.241 4.550 0.000 0.000 0.345 28 Y C -1.989 174.035 175.900 0.208 0.000 1.187 28 Y CA -1.664 56.524 58.100 0.147 0.000 1.128 28 Y CB 0.701 39.202 38.460 0.069 0.000 1.360 28 Y HN 1.009 nan 8.280 nan 0.000 0.467 29 N N 2.184 121.102 118.700 0.363 0.000 4.460 29 N HA 0.131 4.871 4.740 0.000 0.000 0.170 29 N C -0.011 175.486 175.510 -0.022 0.000 1.275 29 N CA -0.008 53.212 53.050 0.284 0.000 0.913 29 N CB 1.067 39.844 38.487 0.483 0.000 1.679 29 N HN 1.113 nan 8.380 nan 0.000 0.864 30 R N 0.477 120.935 120.500 -0.069 0.000 1.422 30 R HA -0.375 3.965 4.340 0.000 0.000 0.053 30 R C 0.106 176.318 176.300 -0.147 0.000 0.951 30 R CA 2.993 58.970 56.100 -0.204 0.000 1.793 30 R CB -1.398 28.646 30.300 -0.427 0.000 0.392 30 R HN 0.795 nan 8.270 nan 0.000 0.663 31 H N -0.247 118.887 119.070 0.106 0.000 2.334 31 H HA 0.144 4.700 4.556 0.000 0.000 0.315 31 H C 0.951 176.339 175.328 0.101 0.000 1.056 31 H CA 0.570 56.670 56.048 0.087 0.000 1.418 31 H CB -0.904 28.904 29.762 0.076 0.000 1.464 31 H HN 0.234 nan 8.280 nan 0.000 0.587 32 L N 2.194 123.558 121.223 0.234 0.000 2.483 32 L HA 0.149 4.489 4.340 0.000 0.000 0.275 32 L C 0.121 177.102 176.870 0.185 0.000 1.220 32 L CA 0.395 55.350 54.840 0.192 0.000 0.833 32 L CB 0.154 42.323 42.059 0.184 0.000 1.102 32 L HN 0.310 nan 8.230 nan 0.000 0.490 33 N N 2.977 121.779 118.700 0.169 0.000 3.304 33 N HA 0.167 4.907 4.740 0.000 0.000 0.187 33 N C -1.584 173.999 175.510 0.121 0.000 1.482 33 N CA -0.407 52.746 53.050 0.172 0.000 0.785 33 N CB 0.490 39.047 38.487 0.116 0.000 1.619 33 N HN 0.493 nan 8.380 nan 0.000 0.624 34 R N 1.234 121.797 120.500 0.105 0.000 2.621 34 R HA 0.372 4.712 4.340 0.000 0.000 0.292 34 R C -0.130 176.145 176.300 -0.042 0.000 0.969 34 R CA -0.581 55.499 56.100 -0.033 0.000 0.887 34 R CB 2.073 32.284 30.300 -0.148 0.000 1.180 34 R HN 0.323 nan 8.270 nan 0.000 0.450 35 K N 1.263 121.609 120.400 -0.090 0.000 2.227 35 K HA 0.458 4.778 4.320 0.000 0.000 0.280 35 K C 0.459 177.011 176.600 -0.079 0.000 1.041 35 K CA -0.648 55.639 56.287 -0.000 0.000 0.905 35 K CB 1.196 33.726 32.500 0.050 0.000 1.068 35 K HN 0.358 nan 8.250 nan 0.000 0.470 36 V N -0.041 119.900 119.914 0.045 0.000 3.204 36 V HA 0.703 4.823 4.120 0.000 0.000 0.308 36 V C -1.640 174.601 176.094 0.245 0.000 1.324 36 V CA -1.070 61.277 62.300 0.079 0.000 1.042 36 V CB 1.120 32.937 31.823 -0.011 0.000 1.167 36 V HN 0.965 nan 8.190 nan 0.000 0.478 37 Y N -0.330 120.039 120.300 0.116 0.000 2.282 37 Y HA 0.751 5.301 4.550 0.000 0.000 0.317 37 Y C -0.718 175.295 175.900 0.188 0.000 1.236 37 Y CA -0.473 57.692 58.100 0.108 0.000 1.134 37 Y CB 0.128 38.627 38.460 0.066 0.000 1.267 37 Y HN 0.880 nan 8.280 nan 0.000 0.410 38 V N -0.267 119.785 119.914 0.230 0.000 5.049 38 V HA 0.584 4.704 4.120 0.000 0.000 0.272 38 V C -0.413 175.844 176.094 0.270 0.000 1.299 38 V CA 0.382 62.821 62.300 0.232 0.000 0.684 38 V CB 1.319 33.373 31.823 0.386 0.000 1.251 38 V HN 0.936 nan 8.190 nan 0.000 0.380 39 D N -1.733 118.825 120.400 0.263 0.000 2.964 39 D HA 0.319 4.959 4.640 0.000 0.000 0.234 39 D C 0.685 177.098 176.300 0.188 0.000 1.223 39 D CA -0.513 53.610 54.000 0.205 0.000 0.889 39 D CB 2.351 43.266 40.800 0.192 0.000 1.609 39 D HN 0.496 nan 8.370 nan 0.000 0.523 40 L N 2.727 124.013 121.223 0.104 0.000 1.952 40 L HA -0.261 4.079 4.340 0.000 0.000 0.231 40 L C 2.669 179.614 176.870 0.125 0.000 1.088 40 L CA 1.992 56.875 54.840 0.071 0.000 0.802 40 L CB -0.759 41.317 42.059 0.028 0.000 0.903 40 L HN 0.459 nan 8.230 nan 0.000 0.439 41 V N -0.342 119.631 119.914 0.098 0.000 2.231 41 V HA -0.373 3.747 4.120 0.000 0.000 0.250 41 V C 2.323 178.490 176.094 0.123 0.000 1.058 41 V CA 2.471 64.827 62.300 0.094 0.000 1.022 41 V CB -0.347 31.518 31.823 0.070 0.000 0.640 41 V HN 0.556 nan 8.190 nan 0.000 0.445 42 E N -0.707 119.576 120.200 0.139 0.000 2.001 42 E HA -0.230 4.120 4.350 0.000 0.000 0.195 42 E C 2.066 178.777 176.600 0.185 0.000 1.002 42 E CA 1.699 58.183 56.400 0.140 0.000 0.819 42 E CB -0.496 29.287 29.700 0.139 0.000 0.769 42 E HN 0.694 nan 8.360 nan 0.000 0.454 43 F N 2.769 122.778 119.950 0.098 0.000 2.085 43 F HA -0.328 4.199 4.527 0.000 0.000 0.299 43 F C 1.897 177.779 175.800 0.137 0.000 1.096 43 F CA 2.048 60.132 58.000 0.140 0.000 1.227 43 F CB -0.389 38.708 39.000 0.162 0.000 0.983 43 F HN 0.057 nan 8.300 nan 0.000 0.482 44 D N 0.673 121.372 120.400 0.498 0.000 2.119 44 D HA -0.269 4.371 4.640 0.000 0.000 0.199 44 D C 2.187 178.582 176.300 0.160 0.000 0.987 44 D CA 2.472 56.672 54.000 0.332 0.000 0.858 44 D CB -0.265 40.647 40.800 0.187 0.000 1.008 44 D HN 0.502 nan 8.370 nan 0.000 0.450 45 K N 0.377 120.835 120.400 0.096 0.000 2.127 45 K HA -0.162 4.158 4.320 0.000 0.000 0.208 45 K C 2.290 178.860 176.600 -0.050 0.000 1.047 45 K CA 1.413 57.718 56.287 0.031 0.000 0.927 45 K CB -0.624 31.895 32.500 0.032 0.000 0.716 45 K HN 0.109 nan 8.250 nan 0.000 0.450 46 V N 1.352 121.229 119.914 -0.061 0.000 2.237 46 V HA -0.232 3.888 4.120 0.000 0.000 0.245 46 V C 2.198 178.120 176.094 -0.285 0.000 1.046 46 V CA 1.891 64.083 62.300 -0.179 0.000 1.007 46 V CB -0.692 31.046 31.823 -0.141 0.000 0.638 46 V HN 0.264 nan 8.190 nan 0.000 0.445 47 F N 1.199 120.900 119.950 -0.416 0.000 1.990 47 F HA -0.235 4.292 4.527 0.000 0.000 0.297 47 F C 2.573 178.223 175.800 -0.249 0.000 1.199 47 F CA 2.060 59.822 58.000 -0.397 0.000 1.184 47 F CB -0.546 38.218 39.000 -0.393 0.000 0.956 47 F HN -0.018 nan 8.300 nan 0.000 0.503 48 R N 0.238 120.940 120.500 0.337 0.000 2.320 48 R HA -0.381 3.959 4.340 0.000 0.000 0.194 48 R C 1.924 178.220 176.300 -0.006 0.000 1.075 48 R CA 2.817 59.026 56.100 0.181 0.000 0.442 48 R CB -1.804 28.535 30.300 0.066 0.000 0.754 48 R HN 0.591 nan 8.270 nan 0.000 0.265 49 Q N -0.378 119.320 119.800 -0.169 0.000 2.135 49 Q HA -0.069 4.271 4.340 0.000 0.000 0.204 49 Q C 2.208 178.103 176.000 -0.175 0.000 0.981 49 Q CA 1.738 57.430 55.803 -0.185 0.000 0.856 49 Q CB -0.159 28.382 28.738 -0.328 0.000 0.902 49 Q HN 0.586 nan 8.270 nan 0.000 0.425 50 A N 0.265 122.829 122.820 -0.428 0.000 1.840 50 A HA -0.112 4.208 4.320 0.000 0.000 0.214 50 A C 1.455 178.819 177.584 -0.366 0.000 1.198 50 A CA 1.220 53.101 52.037 -0.260 0.000 0.608 50 A CB -0.432 18.330 19.000 -0.396 0.000 0.839 50 A HN 0.320 nan 8.150 nan 0.000 0.443 51 S N -2.024 113.139 115.700 -0.895 0.000 4.120 51 S HA -0.270 4.200 4.470 0.000 0.000 0.625 51 S C 0.153 174.016 174.600 -1.229 0.000 1.925 51 S CA 2.144 59.635 58.200 -1.181 0.000 4.213 51 S CB -1.691 61.286 63.200 -0.372 0.000 0.206 51 S HN 1.674 nan 8.310 nan 0.000 0.523 52 I N -0.464 119.646 120.570 -0.767 0.000 3.554 52 I HA 0.553 4.723 4.170 0.000 0.000 0.321 52 I C 0.376 176.170 176.117 -0.538 0.000 1.484 52 I CA -0.158 60.827 61.300 -0.525 0.000 0.975 52 I CB 0.080 37.886 38.000 -0.323 0.000 1.528 52 I HN 0.551 nan 8.210 nan 0.000 0.609 53 H N 0.309 119.121 119.070 -0.429 0.000 2.827 53 H HA 0.419 4.975 4.556 0.000 0.000 0.269 53 H C -0.315 174.628 175.328 -0.642 0.000 1.031 53 H CA 0.250 55.975 56.048 -0.538 0.000 1.202 53 H CB 0.614 29.946 29.762 -0.717 0.000 1.511 53 H HN 0.342 nan 8.280 nan 0.000 0.517 54 H N 0.575 119.658 119.070 0.020 0.000 3.013 54 H HA 0.185 4.741 4.556 0.000 0.000 0.326 54 H C 0.214 175.525 175.328 -0.029 0.000 0.973 54 H CA -0.705 55.348 56.048 0.009 0.000 1.369 54 H CB 1.318 31.106 29.762 0.045 0.000 1.598 54 H HN -0.172 nan 8.280 nan 0.000 0.518 55 V N 3.871 123.827 119.914 0.070 0.000 3.103 55 V HA -0.200 3.920 4.120 0.000 0.000 0.292 55 V C 1.262 177.368 176.094 0.021 0.000 1.269 55 V CA 0.752 63.063 62.300 0.020 0.000 1.370 55 V CB -0.074 31.745 31.823 -0.006 0.000 0.945 55 V HN 0.540 nan 8.190 nan 0.000 0.521 56 I N 2.703 123.277 120.570 0.006 0.000 3.514 56 I HA 0.585 4.755 4.170 0.000 0.000 0.300 56 I C -0.001 176.094 176.117 -0.036 0.000 1.194 56 I CA -0.553 60.743 61.300 -0.007 0.000 0.968 56 I CB 1.530 39.541 38.000 0.017 0.000 1.418 56 I HN 0.336 nan 8.210 nan 0.000 0.614 57 V N 3.276 123.151 119.914 -0.065 0.000 2.674 57 V HA 0.285 4.405 4.120 0.000 0.000 0.279 57 V C -0.061 175.960 176.094 -0.122 0.000 1.051 57 V CA -0.434 61.817 62.300 -0.082 0.000 0.912 57 V CB 1.626 33.414 31.823 -0.058 0.000 1.044 57 V HN 0.442 nan 8.190 nan 0.000 0.464 58 L N 2.501 123.626 121.223 -0.164 0.000 2.490 58 L HA 0.575 4.915 4.340 0.000 0.000 0.245 58 L C 0.709 177.478 176.870 -0.169 0.000 1.185 58 L CA -0.296 54.417 54.840 -0.212 0.000 0.813 58 L CB 0.722 42.616 42.059 -0.276 0.000 1.233 58 L HN 0.594 nan 8.230 nan 0.000 0.489 59 E N 1.179 121.256 120.200 -0.205 0.000 4.129 59 E HA 0.210 4.560 4.350 0.000 0.000 0.222 59 E C -1.140 175.322 176.600 -0.230 0.000 1.179 59 E CA -0.402 55.884 56.400 -0.190 0.000 1.334 59 E CB 0.832 30.419 29.700 -0.188 0.000 1.202 59 E HN 0.287 nan 8.360 nan 0.000 0.428 60 L N 1.396 122.513 121.223 -0.178 0.000 2.559 60 L HA 0.000 4.340 4.340 0.000 0.000 0.282 60 L C -1.733 175.038 176.870 -0.165 0.000 1.232 60 L CA -0.666 54.085 54.840 -0.148 0.000 0.885 60 L CB -0.405 41.628 42.059 -0.043 0.000 1.131 60 L HN 0.049 nan 8.230 nan 0.000 0.498 61 P HA -0.013 nan 4.420 nan 0.000 0.272 61 P C -0.227 176.996 177.300 -0.129 0.000 1.542 61 P CA 0.764 63.780 63.100 -0.140 0.000 0.846 61 P CB 0.001 31.643 31.700 -0.096 0.000 1.782 62 D N -0.939 119.389 120.400 -0.120 0.000 2.620 62 D HA 0.140 4.780 4.640 0.000 0.000 0.260 62 D C 1.497 177.752 176.300 -0.075 0.000 1.367 62 D CA -0.038 53.902 54.000 -0.100 0.000 0.805 62 D CB 0.338 41.075 40.800 -0.104 0.000 1.096 62 D HN 0.136 nan 8.370 nan 0.000 0.488 63 G N 1.394 110.149 108.800 -0.075 0.000 2.186 63 G HA2 -0.314 3.647 3.960 0.000 0.000 0.266 63 G HA3 -0.314 3.647 3.960 0.000 0.000 0.266 63 G C 0.532 175.393 174.900 -0.064 0.000 0.982 63 G CA 0.159 45.222 45.100 -0.062 0.000 0.670 63 G HN 0.257 nan 8.290 nan 0.000 0.533 64 Q N 0.448 120.205 119.800 -0.073 0.000 2.289 64 Q HA 0.417 4.757 4.340 0.000 0.000 0.273 64 Q C -0.146 175.808 176.000 -0.076 0.000 1.029 64 Q CA 0.531 56.294 55.803 -0.066 0.000 0.896 64 Q CB 1.318 30.019 28.738 -0.061 0.000 1.182 64 Q HN 0.255 nan 8.270 nan 0.000 0.385 65 S N 4.573 120.234 115.700 -0.065 0.000 2.733 65 S HA 0.553 5.023 4.470 0.000 0.000 0.307 65 S C -0.823 173.739 174.600 -0.064 0.000 1.127 65 S CA -0.537 57.620 58.200 -0.072 0.000 1.097 65 S CB 0.195 63.357 63.200 -0.063 0.000 1.003 65 S HN 0.488 nan 8.310 nan 0.000 0.477 66 L N 6.407 127.584 121.223 -0.076 0.000 2.334 66 L HA 0.670 5.010 4.340 0.000 0.000 0.273 66 L C -2.136 174.689 176.870 -0.075 0.000 1.013 66 L CA -2.361 52.439 54.840 -0.065 0.000 0.816 66 L CB 2.453 44.480 42.059 -0.055 0.000 1.278 66 L HN 0.439 nan 8.230 nan 0.000 0.431 67 P HA 0.316 nan 4.420 nan 0.000 0.290 67 P C -1.281 175.977 177.300 -0.071 0.000 1.276 67 P CA -0.257 62.802 63.100 -0.069 0.000 0.808 67 P CB 1.566 33.220 31.700 -0.076 0.000 0.966 68 T N 0.350 114.881 114.554 -0.038 0.000 2.885 68 T HA 0.565 4.915 4.350 0.000 0.000 0.322 68 T C -0.967 173.778 174.700 0.075 0.000 1.387 68 T CA -0.766 61.349 62.100 0.025 0.000 1.041 68 T CB 1.012 69.953 68.868 0.122 0.000 1.287 68 T HN 0.231 nan 8.240 nan 0.000 0.491 69 L N 2.464 123.758 121.223 0.118 0.000 2.406 69 L HA 0.460 4.800 4.340 0.000 0.000 0.270 69 L C -0.095 176.879 176.870 0.173 0.000 0.982 69 L CA -1.258 53.648 54.840 0.111 0.000 0.843 69 L CB 1.996 44.101 42.059 0.076 0.000 1.225 69 L HN 0.677 nan 8.230 nan 0.000 0.412 70 V N 4.136 124.130 119.914 0.133 0.000 2.790 70 V HA -0.123 3.997 4.120 0.000 0.000 0.304 70 V C 1.321 177.458 176.094 0.072 0.000 1.142 70 V CA 0.462 62.813 62.300 0.085 0.000 1.282 70 V CB 0.241 32.174 31.823 0.184 0.000 0.877 70 V HN 0.754 nan 8.190 nan 0.000 0.504 71 R N 2.653 123.179 120.500 0.042 0.000 2.365 71 R HA 0.189 4.529 4.340 0.000 0.000 0.223 71 R C 0.149 176.457 176.300 0.012 0.000 0.899 71 R CA 0.211 56.333 56.100 0.038 0.000 1.059 71 R CB 0.479 30.801 30.300 0.037 0.000 1.086 71 R HN 1.045 nan 8.270 nan 0.000 0.522 72 Q N -1.962 117.844 119.800 0.009 0.000 2.927 72 Q HA 0.201 4.541 4.340 0.000 0.000 0.217 72 Q C -1.817 174.173 176.000 -0.018 0.000 1.015 72 Q CA -0.550 55.246 55.803 -0.011 0.000 1.037 72 Q CB 0.669 29.394 28.738 -0.020 0.000 2.023 72 Q HN -0.164 nan 8.270 nan 0.000 0.513 73 V N 2.423 122.313 119.914 -0.040 0.000 2.483 73 V HA 0.525 4.645 4.120 0.000 0.000 0.297 73 V C -1.061 174.991 176.094 -0.070 0.000 1.027 73 V CA -0.745 61.510 62.300 -0.074 0.000 0.855 73 V CB 1.823 33.562 31.823 -0.140 0.000 0.995 73 V HN 0.770 nan 8.190 nan 0.000 0.424 74 N N 5.459 124.127 118.700 -0.055 0.000 2.527 74 N HA 0.475 5.215 4.740 0.000 0.000 0.236 74 N C -0.422 175.053 175.510 -0.059 0.000 0.999 74 N CA -0.582 52.437 53.050 -0.053 0.000 0.935 74 N CB 0.845 39.304 38.487 -0.047 0.000 1.132 74 N HN 0.483 nan 8.380 nan 0.000 0.511 75 L N -0.286 120.895 121.223 -0.070 0.000 2.464 75 L HA 0.298 4.638 4.340 0.000 0.000 0.264 75 L C 0.745 177.583 176.870 -0.054 0.000 1.199 75 L CA -0.252 54.544 54.840 -0.073 0.000 0.818 75 L CB -0.020 41.994 42.059 -0.075 0.000 1.102 75 L HN 0.459 nan 8.230 nan 0.000 0.473 76 D N 1.369 121.737 120.400 -0.054 0.000 2.359 76 D HA 0.048 4.688 4.640 0.000 0.000 0.250 76 D C 1.106 177.384 176.300 -0.036 0.000 1.264 76 D CA -0.285 53.690 54.000 -0.041 0.000 0.911 76 D CB 0.782 41.557 40.800 -0.041 0.000 1.056 76 D HN 0.317 nan 8.370 nan 0.000 0.499 77 K N 2.897 123.278 120.400 -0.031 0.000 2.081 77 K HA -0.223 4.097 4.320 0.000 0.000 0.222 77 K C 0.538 177.124 176.600 -0.024 0.000 1.055 77 K CA 1.484 57.755 56.287 -0.026 0.000 0.954 77 K CB -0.587 31.899 32.500 -0.023 0.000 0.732 77 K HN 0.580 nan 8.250 nan 0.000 0.458 78 R N 1.905 122.391 120.500 -0.022 0.000 2.308 78 R HA 0.218 4.558 4.340 0.000 0.000 0.325 78 R C -0.256 176.031 176.300 -0.021 0.000 1.161 78 R CA -0.081 56.008 56.100 -0.019 0.000 1.022 78 R CB 0.197 30.487 30.300 -0.017 0.000 1.091 78 R HN 0.118 nan 8.270 nan 0.000 0.497 79 R N 2.170 122.657 120.500 -0.021 0.000 3.217 79 R HA -0.158 4.182 4.340 0.000 0.000 0.295 79 R C 0.947 177.230 176.300 -0.029 0.000 1.106 79 R CA 0.804 56.892 56.100 -0.021 0.000 0.759 79 R CB -1.969 28.320 30.300 -0.020 0.000 1.479 79 R HN 1.052 nan 8.270 nan 0.000 0.427 80 R N -0.781 119.700 120.500 -0.032 0.000 3.934 80 R HA -0.325 4.015 4.340 0.000 0.000 0.301 80 R C 0.012 176.275 176.300 -0.060 0.000 0.864 80 R CA 2.352 58.426 56.100 -0.043 0.000 1.374 80 R CB -1.412 28.864 30.300 -0.039 0.000 1.700 80 R HN 0.457 nan 8.270 nan 0.000 0.412 81 R N 2.808 123.274 120.500 -0.056 0.000 2.640 81 R HA -0.087 4.253 4.340 0.000 0.000 0.255 81 R C -1.898 174.345 176.300 -0.096 0.000 0.882 81 R CA 0.394 56.452 56.100 -0.071 0.000 1.082 81 R CB -0.194 30.073 30.300 -0.055 0.000 0.883 81 R HN 0.400 nan 8.270 nan 0.000 0.421 82 P HA 0.029 nan 4.420 nan 0.000 0.276 82 P C -0.540 176.674 177.300 -0.145 0.000 1.230 82 P CA 0.061 63.053 63.100 -0.180 0.000 0.776 82 P CB 0.883 32.400 31.700 -0.306 0.000 0.888 83 E N 0.893 121.033 120.200 -0.100 0.000 2.276 83 E HA -0.008 4.342 4.350 0.000 0.000 0.193 83 E C 0.451 177.045 176.600 -0.011 0.000 0.983 83 E CA 0.617 56.986 56.400 -0.051 0.000 0.861 83 E CB 0.193 29.879 29.700 -0.022 0.000 0.817 83 E HN 0.565 nan 8.360 nan 0.000 0.485 84 H N -0.519 118.461 119.070 -0.150 0.000 3.140 84 H HA 0.219 4.775 4.556 0.000 0.000 0.336 84 H C -1.853 173.348 175.328 -0.211 0.000 1.142 84 H CA -0.463 55.498 56.048 -0.146 0.000 1.308 84 H CB 1.079 30.793 29.762 -0.081 0.000 1.970 84 H HN -0.194 nan 8.280 nan 0.000 0.521 85 V N 4.306 124.015 119.914 -0.343 0.000 2.459 85 V HA 0.239 4.359 4.120 0.000 0.000 0.295 85 V C -0.493 175.452 176.094 -0.249 0.000 1.029 85 V CA -0.753 61.347 62.300 -0.335 0.000 0.874 85 V CB 1.705 33.101 31.823 -0.711 0.000 0.985 85 V HN 0.669 nan 8.190 nan 0.000 0.438 86 D N 4.265 124.574 120.400 -0.153 0.000 2.373 86 D HA 0.488 5.128 4.640 0.000 0.000 0.227 86 D C -0.762 175.358 176.300 -0.300 0.000 1.091 86 D CA 0.082 54.046 54.000 -0.059 0.000 0.840 86 D CB 0.769 41.668 40.800 0.164 0.000 1.060 86 D HN 0.336 nan 8.370 nan 0.000 0.502 87 F N 2.032 121.923 119.950 -0.098 0.000 2.405 87 F HA 0.276 4.803 4.527 0.000 0.000 0.355 87 F C 0.283 175.945 175.800 -0.231 0.000 1.121 87 F CA -1.025 56.923 58.000 -0.088 0.000 1.112 87 F CB 0.763 39.746 39.000 -0.028 0.000 1.126 87 F HN 0.295 nan 8.300 nan 0.000 0.481 88 F N 5.024 124.919 119.950 -0.092 0.000 2.377 88 F HA 0.392 4.919 4.527 0.000 0.000 0.360 88 F C -0.219 175.558 175.800 -0.038 0.000 1.147 88 F CA -1.050 56.868 58.000 -0.136 0.000 1.170 88 F CB 0.428 39.405 39.000 -0.038 0.000 1.339 88 F HN 0.051 nan 8.300 nan 0.000 0.552 89 V N 7.396 127.387 119.914 0.128 0.000 2.400 89 V HA -0.117 4.003 4.120 0.000 0.000 0.263 89 V C 0.379 176.332 176.094 -0.236 0.000 1.026 89 V CA -0.146 62.133 62.300 -0.034 0.000 1.077 89 V CB -0.412 31.439 31.823 0.047 0.000 1.054 89 V HN 0.482 nan 8.190 nan 0.000 0.477 90 L N 4.971 125.982 121.223 -0.353 0.000 2.543 90 L HA 0.052 4.392 4.340 0.000 0.000 0.285 90 L C 1.007 177.761 176.870 -0.194 0.000 1.236 90 L CA 1.177 55.773 54.840 -0.408 0.000 0.871 90 L CB 0.283 42.178 42.059 -0.272 0.000 1.121 90 L HN 0.735 nan 8.230 nan 0.000 0.501 91 S N 0.312 115.918 115.700 -0.157 0.000 4.213 91 S HA 0.293 4.763 4.470 0.000 0.000 0.198 91 S C 0.441 175.030 174.600 -0.019 0.000 0.970 91 S CA 0.418 58.607 58.200 -0.019 0.000 1.707 91 S CB 0.303 63.529 63.200 0.043 0.000 0.685 91 S HN 0.865 nan 8.310 nan 0.000 0.736 92 D N -0.809 119.598 120.400 0.011 0.000 2.490 92 D HA 0.191 4.831 4.640 0.000 0.000 0.246 92 D C -0.612 175.697 176.300 0.015 0.000 1.196 92 D CA -0.223 53.781 54.000 0.007 0.000 0.812 92 D CB -0.283 40.529 40.800 0.020 0.000 1.191 92 D HN 0.198 nan 8.370 nan 0.000 0.531 93 E N 2.088 122.305 120.200 0.029 0.000 2.351 93 E HA 0.132 4.482 4.350 0.000 0.000 0.266 93 E C -2.138 174.483 176.600 0.035 0.000 1.031 93 E CA -1.691 54.735 56.400 0.044 0.000 0.911 93 E CB 0.454 30.197 29.700 0.071 0.000 0.986 93 E HN 0.154 nan 8.360 nan 0.000 0.446 94 P HA -0.044 nan 4.420 nan 0.000 0.254 94 P C -0.284 177.051 177.300 0.057 0.000 1.467 94 P CA 0.239 63.359 63.100 0.033 0.000 1.281 94 P CB 0.032 31.749 31.700 0.028 0.000 1.754 95 V N 2.267 122.224 119.914 0.072 0.000 3.489 95 V HA 0.120 4.240 4.120 0.000 0.000 0.297 95 V C 1.044 177.216 176.094 0.130 0.000 1.071 95 V CA -0.390 61.993 62.300 0.138 0.000 1.074 95 V CB 0.570 32.533 31.823 0.233 0.000 1.188 95 V HN 0.328 nan 8.190 nan 0.000 0.458 96 E N 1.659 121.963 120.200 0.174 0.000 2.280 96 E HA 0.771 5.121 4.350 0.000 0.000 0.264 96 E C -0.447 176.267 176.600 0.190 0.000 1.064 96 E CA -0.480 56.014 56.400 0.157 0.000 0.900 96 E CB 1.391 31.184 29.700 0.155 0.000 1.123 96 E HN 0.689 nan 8.360 nan 0.000 0.418 97 M N -0.793 118.927 119.600 0.200 0.000 2.564 97 M HA 0.245 4.725 4.480 0.000 0.000 0.278 97 M C -1.977 174.505 176.300 0.303 0.000 0.975 97 M CA -0.740 54.703 55.300 0.239 0.000 0.850 97 M CB 0.490 33.179 32.600 0.148 0.000 1.845 97 M HN 0.480 nan 8.290 nan 0.000 0.561 98 Y N 1.428 121.761 120.300 0.056 0.000 2.300 98 Y HA 0.765 5.315 4.550 0.000 0.000 0.328 98 Y C 0.241 176.215 175.900 0.122 0.000 1.270 98 Y CA -1.010 57.119 58.100 0.049 0.000 1.352 98 Y CB 1.614 40.100 38.460 0.044 0.000 1.286 98 Y HN 0.538 nan 8.280 nan 0.000 0.536 99 V N 2.035 122.044 119.914 0.159 0.000 2.969 99 V HA 0.247 4.367 4.120 0.000 0.000 0.304 99 V C -2.503 173.503 176.094 -0.146 0.000 1.192 99 V CA -2.332 59.974 62.300 0.011 0.000 0.962 99 V CB 1.986 33.831 31.823 0.038 0.000 1.045 99 V HN 0.554 nan 8.190 nan 0.000 0.428 100 P HA 0.147 nan 4.420 nan 0.000 0.271 100 P C -0.387 176.860 177.300 -0.089 0.000 1.228 100 P CA 0.325 63.294 63.100 -0.218 0.000 0.797 100 P CB 0.583 32.184 31.700 -0.164 0.000 0.914 101 L N -0.042 121.104 121.223 -0.127 0.000 3.635 101 L HA 0.521 4.861 4.340 0.000 0.000 0.185 101 L C 0.170 176.942 176.870 -0.164 0.000 1.293 101 L CA 0.570 55.336 54.840 -0.123 0.000 1.200 101 L CB -0.751 41.181 42.059 -0.212 0.000 1.655 101 L HN 0.366 nan 8.230 nan 0.000 0.762 102 R N -1.622 118.631 120.500 -0.411 0.000 7.145 102 R HA 0.081 4.421 4.340 0.000 0.000 0.218 102 R C -1.964 174.105 176.300 -0.386 0.000 0.853 102 R CA -0.325 55.519 56.100 -0.426 0.000 1.646 102 R CB -0.856 29.261 30.300 -0.304 0.000 1.270 102 R HN 0.029 nan 8.270 nan 0.000 0.824 103 F N 0.302 120.209 119.950 -0.071 0.000 2.588 103 F HA 0.534 5.061 4.527 0.000 0.000 0.314 103 F C 0.113 175.871 175.800 -0.070 0.000 1.069 103 F CA -1.075 56.890 58.000 -0.058 0.000 0.931 103 F CB 1.846 40.821 39.000 -0.041 0.000 1.260 103 F HN 0.177 nan 8.300 nan 0.000 0.465 104 V N 2.927 122.930 119.914 0.148 0.000 2.240 104 V HA 0.766 4.886 4.120 0.000 0.000 0.265 104 V C 0.029 176.144 176.094 0.036 0.000 1.073 104 V CA 1.033 63.363 62.300 0.049 0.000 0.857 104 V CB -0.302 31.532 31.823 0.017 0.000 1.114 104 V HN 1.113 nan 8.190 nan 0.000 0.469 105 G N 4.416 113.241 108.800 0.041 0.000 2.217 105 G HA2 0.194 4.154 3.960 0.000 0.000 0.173 105 G HA3 0.194 4.154 3.960 0.000 0.000 0.173 105 G C -0.187 174.733 174.900 0.033 0.000 1.324 105 G CA 0.189 45.302 45.100 0.022 0.000 1.225 105 G HN 1.584 nan 8.290 nan 0.000 0.494 106 T N -0.572 113.987 114.554 0.009 0.000 2.889 106 T HA 0.751 5.101 4.350 0.000 0.000 0.315 106 T C -3.043 171.642 174.700 -0.025 0.000 1.291 106 T CA -0.493 61.612 62.100 0.008 0.000 1.028 106 T CB 2.283 71.158 68.868 0.011 0.000 1.235 106 T HN 0.846 nan 8.240 nan 0.000 0.491 107 P HA 0.284 nan 4.420 nan 0.000 0.269 107 P C 0.672 177.950 177.300 -0.038 0.000 1.215 107 P CA -0.416 62.649 63.100 -0.059 0.000 0.780 107 P CB 0.357 32.024 31.700 -0.056 0.000 0.898 108 A N 2.108 124.903 122.820 -0.042 0.000 2.207 108 A HA 0.154 4.474 4.320 0.000 0.000 0.205 108 A C 1.291 178.863 177.584 -0.019 0.000 1.310 108 A CA 0.567 52.587 52.037 -0.029 0.000 0.926 108 A CB -1.469 17.513 19.000 -0.030 0.000 0.778 108 A HN 0.666 nan 8.150 nan 0.000 0.497 109 G N -0.899 107.891 108.800 -0.017 0.000 3.161 109 G HA2 0.449 4.409 3.960 0.000 0.000 0.328 109 G HA3 0.449 4.409 3.960 0.000 0.000 0.328 109 G C -0.392 174.505 174.900 -0.005 0.000 1.037 109 G CA 0.102 45.196 45.100 -0.009 0.000 1.416 109 G HN 0.779 nan 8.290 nan 0.000 0.486 110 V N 2.999 122.910 119.914 -0.005 0.000 4.466 110 V HA 0.518 4.638 4.120 0.000 0.000 0.679 110 V C 0.375 176.467 176.094 -0.002 0.000 2.033 110 V CA -0.223 62.076 62.300 -0.002 0.000 3.119 110 V CB -0.203 31.619 31.823 -0.002 0.000 0.977 110 V HN 0.777 nan 8.190 nan 0.000 0.641 111 R N 0.655 121.154 120.500 -0.002 0.000 1.932 111 R HA 0.358 4.698 4.340 0.000 0.000 0.090 111 R C 0.463 176.762 176.300 -0.002 0.000 0.795 111 R CA 0.981 57.080 56.100 -0.002 0.000 2.486 111 R CB 0.355 30.653 30.300 -0.003 0.000 1.216 111 R HN 0.640 nan 8.270 nan 0.000 0.503 112 A N 0.676 123.494 122.820 -0.002 0.000 2.958 112 A HA 0.563 4.883 4.320 0.000 0.000 0.214 112 A C -0.050 177.534 177.584 -0.001 0.000 0.902 112 A CA 0.161 52.197 52.037 -0.002 0.000 1.136 112 A CB 0.791 19.790 19.000 -0.002 0.000 1.250 112 A HN 0.595 nan 8.150 nan 0.000 0.497 113 G N -0.749 108.051 108.800 -0.000 0.000 3.402 113 G HA2 0.562 4.522 3.960 0.000 0.000 0.686 113 G HA3 0.562 4.522 3.960 0.000 0.000 0.686 113 G C 0.290 175.190 174.900 -0.000 0.000 0.983 113 G CA -0.023 45.077 45.100 0.001 0.000 0.821 113 G HN 2.491 nan 8.290 nan 0.000 0.500 114 G N -0.732 108.069 108.800 0.001 0.000 2.146 114 G HA2 0.645 4.605 3.960 0.000 0.000 0.261 114 G HA3 0.645 4.605 3.960 0.000 0.000 0.261 114 G C -1.061 173.840 174.900 0.003 0.000 1.745 114 G CA 0.245 45.345 45.100 -0.000 0.000 0.905 114 G HN 1.757 nan 8.290 nan 0.000 0.746 115 V N 3.194 123.111 119.914 0.006 0.000 2.612 115 V HA 0.519 4.639 4.120 0.000 0.000 0.301 115 V C 0.319 176.424 176.094 0.018 0.000 1.059 115 V CA -0.856 61.452 62.300 0.013 0.000 0.886 115 V CB 1.575 33.407 31.823 0.016 0.000 1.007 115 V HN 1.026 nan 8.190 nan 0.000 0.426 116 L N 3.623 124.860 121.223 0.024 0.000 2.483 116 L HA 0.301 4.641 4.340 0.000 0.000 0.277 116 L C 0.169 177.072 176.870 0.056 0.000 1.248 116 L CA 1.113 55.976 54.840 0.039 0.000 0.825 116 L CB 0.541 42.636 42.059 0.060 0.000 1.096 116 L HN 0.888 nan 8.230 nan 0.000 0.512 117 Q N 0.944 120.789 119.800 0.074 0.000 2.484 117 Q HA 0.374 4.714 4.340 0.000 0.000 0.285 117 Q C -1.325 174.742 176.000 0.112 0.000 1.097 117 Q CA -0.753 55.096 55.803 0.077 0.000 0.802 117 Q CB 1.643 30.417 28.738 0.060 0.000 1.444 117 Q HN 0.655 nan 8.270 nan 0.000 0.429 118 E N 3.529 123.788 120.200 0.099 0.000 3.588 118 E HA 0.193 4.543 4.350 0.000 0.000 0.213 118 E C -0.732 175.937 176.600 0.114 0.000 1.168 118 E CA -0.274 56.193 56.400 0.112 0.000 1.254 118 E CB -0.223 29.528 29.700 0.086 0.000 1.302 118 E HN 0.612 nan 8.360 nan 0.000 0.429 119 I N 1.990 122.632 120.570 0.120 0.000 2.270 119 I HA 0.104 4.274 4.170 0.000 0.000 0.294 119 I C -0.007 176.225 176.117 0.192 0.000 1.164 119 I CA 0.126 61.489 61.300 0.103 0.000 1.680 119 I CB -1.175 36.868 38.000 0.072 0.000 1.494 119 I HN 0.503 nan 8.210 nan 0.000 0.767 120 H N 2.418 121.539 119.070 0.086 0.000 3.548 120 H HA -0.080 4.476 4.556 0.000 0.000 0.373 120 H C 0.188 175.549 175.328 0.056 0.000 1.365 120 H CA -0.482 55.623 56.048 0.095 0.000 1.455 120 H CB -0.223 29.598 29.762 0.097 0.000 1.408 120 H HN 0.506 nan 8.280 nan 0.000 0.472 121 R N 2.233 122.801 120.500 0.112 0.000 3.907 121 R HA 0.178 4.518 4.340 0.000 0.000 0.241 121 R C -0.686 175.558 176.300 -0.093 0.000 1.784 121 R CA 0.564 56.639 56.100 -0.043 0.000 1.509 121 R CB -0.135 30.123 30.300 -0.069 0.000 1.275 121 R HN 0.410 nan 8.270 nan 0.000 0.642 122 D N -1.192 119.154 120.400 -0.090 0.000 2.530 122 D HA 0.135 4.775 4.640 0.000 0.000 0.193 122 D C -1.093 175.027 176.300 -0.300 0.000 1.243 122 D CA -0.516 53.413 54.000 -0.119 0.000 0.803 122 D CB 0.322 41.149 40.800 0.044 0.000 1.955 122 D HN 0.071 nan 8.370 nan 0.000 0.529 123 I N 1.627 122.033 120.570 -0.273 0.000 2.509 123 I HA 0.565 4.735 4.170 0.000 0.000 0.293 123 I C -1.113 174.748 176.117 -0.427 0.000 1.020 123 I CA -1.386 59.635 61.300 -0.464 0.000 1.088 123 I CB 1.419 39.265 38.000 -0.257 0.000 1.267 123 I HN 0.551 nan 8.210 nan 0.000 0.430 124 L N 8.624 129.376 121.223 -0.785 0.000 2.467 124 L HA 0.530 4.870 4.340 0.000 0.000 0.270 124 L C -0.412 176.354 176.870 -0.175 0.000 1.205 124 L CA 0.452 55.030 54.840 -0.437 0.000 0.828 124 L CB 1.279 43.030 42.059 -0.512 0.000 1.101 124 L HN 0.533 nan 8.230 nan 0.000 0.479 125 V N 0.846 120.731 119.914 -0.048 0.000 3.080 125 V HA 0.622 4.742 4.120 0.000 0.000 0.311 125 V C -0.944 175.160 176.094 0.017 0.000 1.389 125 V CA -1.076 61.212 62.300 -0.020 0.000 1.049 125 V CB 1.647 33.465 31.823 -0.009 0.000 1.078 125 V HN 0.805 nan 8.190 nan 0.000 0.468 126 K N 0.609 121.019 120.400 0.017 0.000 2.624 126 K HA 0.721 5.041 4.320 0.000 0.000 0.200 126 K C -1.740 174.876 176.600 0.025 0.000 1.036 126 K CA -0.301 56.003 56.287 0.029 0.000 1.029 126 K CB 1.468 33.982 32.500 0.024 0.000 1.317 126 K HN 0.795 nan 8.250 nan 0.000 0.555 127 V N 1.656 121.588 119.914 0.030 0.000 2.769 127 V HA 0.440 4.560 4.120 0.000 0.000 0.312 127 V C -0.473 175.632 176.094 0.017 0.000 1.061 127 V CA -0.515 61.797 62.300 0.019 0.000 0.931 127 V CB 2.099 33.932 31.823 0.015 0.000 1.010 127 V HN 0.708 nan 8.190 nan 0.000 0.433 128 S N 4.988 120.693 115.700 0.007 0.000 2.603 128 S HA 0.392 4.862 4.470 0.000 0.000 0.268 128 S C -1.776 172.815 174.600 -0.015 0.000 1.317 128 S CA -0.755 57.444 58.200 -0.000 0.000 1.012 128 S CB 1.251 64.450 63.200 -0.001 0.000 0.926 128 S HN 0.748 nan 8.310 nan 0.000 0.539 129 P HA -0.036 nan 4.420 nan 0.000 0.229 129 P C 0.420 177.696 177.300 -0.040 0.000 1.147 129 P CA 0.850 63.919 63.100 -0.051 0.000 0.766 129 P CB 0.191 31.853 31.700 -0.063 0.000 0.775 130 R N -0.759 119.725 120.500 -0.028 0.000 1.950 130 R HA 0.147 4.487 4.340 0.000 0.000 0.200 130 R C 0.582 176.866 176.300 -0.026 0.000 1.476 130 R CA 0.431 56.514 56.100 -0.027 0.000 1.145 130 R CB -1.170 29.117 30.300 -0.023 0.000 0.942 130 R HN 0.033 nan 8.270 nan 0.000 0.484 131 N N 2.470 121.157 118.700 -0.022 0.000 2.411 131 N HA -0.035 4.705 4.740 0.000 0.000 0.282 131 N C -0.528 174.973 175.510 -0.015 0.000 1.322 131 N CA 0.743 53.780 53.050 -0.022 0.000 0.943 131 N CB 0.147 38.623 38.487 -0.019 0.000 1.266 131 N HN 0.298 nan 8.380 nan 0.000 0.486 132 I N 2.685 123.245 120.570 -0.016 0.000 2.905 132 I HA 0.204 4.374 4.170 0.000 0.000 0.297 132 I C -1.990 174.132 176.117 0.008 0.000 1.358 132 I CA -1.660 59.645 61.300 0.009 0.000 0.975 132 I CB 0.435 38.446 38.000 0.018 0.000 1.857 132 I HN 0.051 nan 8.210 nan 0.000 0.612 133 P HA -0.098 nan 4.420 nan 0.000 0.269 133 P C 0.748 178.027 177.300 -0.035 0.000 1.185 133 P CA 0.471 63.536 63.100 -0.059 0.000 0.769 133 P CB 1.217 32.889 31.700 -0.047 0.000 0.809 134 E N 0.685 120.775 120.200 -0.184 0.000 2.094 134 E HA 0.061 4.411 4.350 0.000 0.000 0.193 134 E C -0.102 176.477 176.600 -0.035 0.000 0.950 134 E CA 0.388 56.683 56.400 -0.175 0.000 0.842 134 E CB 0.211 29.650 29.700 -0.435 0.000 0.816 134 E HN 0.443 nan 8.360 nan 0.000 0.465 135 F N -0.680 119.268 119.950 -0.003 0.000 2.619 135 F HA 0.547 5.074 4.527 0.000 0.000 0.308 135 F C -1.253 174.529 175.800 -0.030 0.000 1.097 135 F CA -1.428 56.556 58.000 -0.028 0.000 0.953 135 F CB 0.849 39.825 39.000 -0.042 0.000 1.287 135 F HN -0.234 nan 8.300 nan 0.000 0.446 136 I N 3.267 123.981 120.570 0.241 0.000 2.464 136 I HA 0.245 4.415 4.170 0.000 0.000 0.277 136 I C -0.284 175.903 176.117 0.117 0.000 1.040 136 I CA -0.616 60.775 61.300 0.151 0.000 1.153 136 I CB 1.339 39.375 38.000 0.061 0.000 1.274 136 I HN 0.757 nan 8.210 nan 0.000 0.469 137 E N 6.027 126.313 120.200 0.144 0.000 2.369 137 E HA 0.566 4.916 4.350 0.000 0.000 0.255 137 E C -0.684 175.979 176.600 0.106 0.000 1.172 137 E CA -0.544 55.901 56.400 0.075 0.000 0.932 137 E CB 1.665 31.389 29.700 0.040 0.000 1.040 137 E HN 0.262 nan 8.360 nan 0.000 0.454 138 V N -0.183 119.831 119.914 0.167 0.000 3.426 138 V HA 0.262 4.382 4.120 0.000 0.000 0.305 138 V C -0.988 175.185 176.094 0.131 0.000 1.350 138 V CA -0.336 62.079 62.300 0.191 0.000 1.013 138 V CB 1.788 33.830 31.823 0.365 0.000 1.191 138 V HN 0.994 nan 8.190 nan 0.000 0.479 139 D N -0.528 119.905 120.400 0.056 0.000 3.629 139 D HA 0.014 4.654 4.640 0.000 0.000 0.306 139 D C -0.442 175.817 176.300 -0.069 0.000 1.431 139 D CA -0.231 53.771 54.000 0.004 0.000 0.748 139 D CB -0.072 40.731 40.800 0.006 0.000 1.315 139 D HN 0.338 nan 8.370 nan 0.000 0.667 140 V N 1.786 121.598 119.914 -0.168 0.000 2.536 140 V HA 0.247 4.367 4.120 0.000 0.000 0.287 140 V C 0.024 176.047 176.094 -0.119 0.000 0.979 140 V CA 1.227 63.401 62.300 -0.211 0.000 1.161 140 V CB -0.234 31.370 31.823 -0.366 0.000 0.915 140 V HN 0.574 nan 8.190 nan 0.000 0.467 141 S N 4.558 120.207 115.700 -0.086 0.000 2.539 141 S HA 0.717 5.187 4.470 0.000 0.000 0.235 141 S C 0.637 175.208 174.600 -0.048 0.000 1.326 141 S CA 0.004 58.171 58.200 -0.055 0.000 1.183 141 S CB 1.105 64.282 63.200 -0.037 0.000 1.073 141 S HN 2.166 nan 8.310 nan 0.000 0.480 142 G N 1.771 110.543 108.800 -0.047 0.000 2.238 142 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 142 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 142 G C -0.099 174.777 174.900 -0.040 0.000 0.996 142 G CA -0.358 44.719 45.100 -0.037 0.000 0.632 142 G HN 0.641 nan 8.290 nan 0.000 0.503 143 L N 1.805 122.995 121.223 -0.056 0.000 2.477 143 L HA 0.408 4.748 4.340 0.000 0.000 0.272 143 L C 1.210 178.051 176.870 -0.048 0.000 1.157 143 L CA 0.344 55.152 54.840 -0.054 0.000 0.889 143 L CB 0.704 42.716 42.059 -0.077 0.000 1.158 143 L HN 0.265 nan 8.230 nan 0.000 0.473 144 E N 3.985 124.166 120.200 -0.033 0.000 3.280 144 E HA 0.198 4.548 4.350 0.000 0.000 0.487 144 E C 0.370 176.956 176.600 -0.023 0.000 0.261 144 E CA -0.095 56.290 56.400 -0.025 0.000 2.810 144 E CB 0.359 30.049 29.700 -0.017 0.000 2.284 144 E HN 0.580 nan 8.360 nan 0.000 0.409 145 I N -0.962 119.600 120.570 -0.014 0.000 2.224 145 I HA 0.501 4.671 4.170 0.000 0.000 0.293 145 I C 0.590 176.704 176.117 -0.005 0.000 1.155 145 I CA 0.002 61.297 61.300 -0.009 0.000 1.297 145 I CB 0.084 38.082 38.000 -0.004 0.000 1.487 145 I HN 0.455 nan 8.210 nan 0.000 0.564 146 G N 4.664 113.461 108.800 -0.006 0.000 3.620 146 G HA2 -0.127 3.833 3.960 0.000 0.000 0.112 146 G HA3 -0.127 3.833 3.960 0.000 0.000 0.112 146 G C -0.519 174.383 174.900 0.004 0.000 2.274 146 G CA -0.544 44.557 45.100 0.002 0.000 1.052 146 G HN 0.464 nan 8.290 nan 0.000 0.298 147 D N 2.584 122.983 120.400 -0.002 0.000 2.426 147 D HA 0.436 5.076 4.640 0.000 0.000 0.261 147 D C 0.237 176.509 176.300 -0.047 0.000 1.245 147 D CA 1.499 55.497 54.000 -0.004 0.000 0.917 147 D CB 0.829 41.621 40.800 -0.013 0.000 1.123 147 D HN 0.649 nan 8.370 nan 0.000 0.508 148 S N 1.450 117.122 115.700 -0.046 0.000 2.562 148 S HA 0.273 4.743 4.470 0.000 0.000 0.274 148 S C -0.045 174.471 174.600 -0.140 0.000 1.160 148 S CA -1.263 56.873 58.200 -0.107 0.000 0.933 148 S CB 1.417 64.581 63.200 -0.061 0.000 1.100 148 S HN 0.351 nan 8.310 nan 0.000 0.468 149 L N 2.213 123.294 121.223 -0.237 0.000 3.544 149 L HA -0.069 4.271 4.340 0.000 0.000 0.404 149 L C 0.413 177.219 176.870 -0.107 0.000 1.080 149 L CA 1.237 55.941 54.840 -0.227 0.000 0.763 149 L CB -2.392 39.633 42.059 -0.056 0.000 1.168 149 L HN 1.173 nan 8.230 nan 0.000 0.723 150 H N 3.113 122.206 119.070 0.038 0.000 5.245 150 H HA 0.821 5.377 4.556 0.000 0.000 0.096 150 H C 0.768 176.123 175.328 0.046 0.000 1.319 150 H CA 0.012 56.084 56.048 0.040 0.000 0.437 150 H CB -0.682 29.093 29.762 0.023 0.000 1.673 150 H HN 0.760 nan 8.280 nan 0.000 0.157 151 A N 0.322 123.385 122.820 0.405 0.000 2.296 151 A HA 0.327 4.647 4.320 0.000 0.000 0.276 151 A C 0.703 178.383 177.584 0.160 0.000 1.356 151 A CA 0.171 52.329 52.037 0.201 0.000 0.825 151 A CB -0.561 18.504 19.000 0.108 0.000 1.308 151 A HN 0.657 nan 8.150 nan 0.000 0.515 152 S N 0.360 116.118 115.700 0.097 0.000 3.106 152 S HA 0.037 4.507 4.470 0.000 0.000 0.304 152 S C -0.424 174.220 174.600 0.074 0.000 1.118 152 S CA 0.261 58.502 58.200 0.068 0.000 1.403 152 S CB -1.172 62.054 63.200 0.043 0.000 1.555 152 S HN 0.445 nan 8.310 nan 0.000 0.584 153 D N 3.474 123.920 120.400 0.077 0.000 2.563 153 D HA 0.230 4.870 4.640 0.000 0.000 0.237 153 D C 0.243 176.572 176.300 0.048 0.000 1.282 153 D CA -0.129 53.910 54.000 0.064 0.000 0.816 153 D CB 0.384 41.222 40.800 0.064 0.000 1.066 153 D HN 0.421 nan 8.370 nan 0.000 0.501 154 L N 0.374 121.625 121.223 0.048 0.000 2.416 154 L HA 0.363 4.703 4.340 0.000 0.000 0.263 154 L C 0.579 177.472 176.870 0.038 0.000 1.065 154 L CA -0.762 54.106 54.840 0.046 0.000 0.798 154 L CB 1.553 43.640 42.059 0.046 0.000 1.267 154 L HN -0.358 nan 8.230 nan 0.000 0.467 155 K N 1.625 122.049 120.400 0.041 0.000 2.268 155 K HA 0.327 4.647 4.320 0.000 0.000 0.276 155 K C -1.320 175.296 176.600 0.027 0.000 1.080 155 K CA -0.759 55.549 56.287 0.034 0.000 0.910 155 K CB 0.512 33.037 32.500 0.042 0.000 1.163 155 K HN 0.242 nan 8.250 nan 0.000 0.465 156 L N 7.759 128.992 121.223 0.018 0.000 2.342 156 L HA 0.211 4.551 4.340 0.000 0.000 0.285 156 L C -1.664 175.208 176.870 0.004 0.000 1.095 156 L CA -1.495 53.351 54.840 0.010 0.000 0.843 156 L CB -0.197 41.867 42.059 0.008 0.000 1.201 156 L HN 0.576 nan 8.230 nan 0.000 0.445 157 P HA 0.079 nan 4.420 nan 0.000 0.272 157 P C -2.515 174.777 177.300 -0.014 0.000 1.248 157 P CA -1.214 61.878 63.100 -0.014 0.000 0.799 157 P CB -0.475 31.206 31.700 -0.031 0.000 0.997 158 P HA -0.068 nan 4.420 nan 0.000 0.255 158 P C 0.973 178.265 177.300 -0.013 0.000 1.151 158 P CA 1.920 65.010 63.100 -0.017 0.000 0.767 158 P CB -0.784 30.901 31.700 -0.024 0.000 0.736 159 G N 2.238 111.034 108.800 -0.007 0.000 2.321 159 G HA2 -0.238 3.722 3.960 0.000 0.000 0.287 159 G HA3 -0.238 3.722 3.960 0.000 0.000 0.287 159 G C 0.092 174.990 174.900 -0.002 0.000 1.018 159 G CA -0.107 44.991 45.100 -0.004 0.000 0.855 159 G HN 0.514 nan 8.290 nan 0.000 0.507 160 V N 0.007 119.919 119.914 -0.003 0.000 2.347 160 V HA 0.524 4.644 4.120 0.000 0.000 0.280 160 V C 0.547 176.642 176.094 0.001 0.000 1.021 160 V CA -0.440 61.860 62.300 -0.001 0.000 0.847 160 V CB 1.614 33.435 31.823 -0.004 0.000 0.990 160 V HN 0.526 nan 8.190 nan 0.000 0.444 161 E N 3.308 123.510 120.200 0.002 0.000 2.803 161 E HA 0.674 5.024 4.350 0.000 0.000 0.250 161 E C -0.925 175.672 176.600 -0.005 0.000 1.102 161 E CA -0.642 55.759 56.400 0.002 0.000 1.017 161 E CB 1.279 30.982 29.700 0.005 0.000 1.346 161 E HN 0.430 nan 8.360 nan 0.000 0.532 162 L N -0.557 120.662 121.223 -0.007 0.000 2.558 162 L HA 0.702 5.042 4.340 0.000 0.000 0.260 162 L C -0.387 176.468 176.870 -0.025 0.000 1.130 162 L CA -0.461 54.367 54.840 -0.020 0.000 1.049 162 L CB 1.087 43.138 42.059 -0.013 0.000 1.758 162 L HN 0.618 nan 8.230 nan 0.000 0.555 163 A N -1.016 121.779 122.820 -0.040 0.000 2.822 163 A HA 0.593 4.913 4.320 0.000 0.000 0.208 163 A C -0.730 176.826 177.584 -0.047 0.000 1.653 163 A CA -0.049 51.964 52.037 -0.040 0.000 1.521 163 A CB -0.638 18.331 19.000 -0.051 0.000 1.031 163 A HN 0.302 nan 8.150 nan 0.000 0.756 164 V N -1.445 118.453 119.914 -0.028 0.000 5.619 164 V HA 0.449 4.569 4.120 0.000 0.000 0.302 164 V C 1.810 177.906 176.094 0.003 0.000 1.590 164 V CA 0.351 62.643 62.300 -0.013 0.000 0.752 164 V CB 0.520 32.335 31.823 -0.014 0.000 1.366 164 V HN 0.231 nan 8.190 nan 0.000 0.428 165 S N 0.691 116.398 115.700 0.012 0.000 2.355 165 S HA 0.059 4.529 4.470 0.000 0.000 0.210 165 S C -1.577 173.030 174.600 0.011 0.000 1.035 165 S CA 1.207 59.415 58.200 0.013 0.000 1.011 165 S CB -1.306 61.904 63.200 0.018 0.000 1.000 165 S HN 0.687 nan 8.310 nan 0.000 0.423 166 P HA 0.387 nan 4.420 nan 0.000 0.279 166 P C 0.292 177.607 177.300 0.024 0.000 1.239 166 P CA -0.014 63.100 63.100 0.024 0.000 0.789 166 P CB 1.048 32.765 31.700 0.029 0.000 0.933 167 E N 0.381 120.604 120.200 0.038 0.000 1.691 167 E HA -0.046 4.304 4.350 0.000 0.000 0.228 167 E C -0.110 176.529 176.600 0.065 0.000 1.065 167 E CA -0.111 56.310 56.400 0.034 0.000 1.388 167 E CB -0.393 29.317 29.700 0.017 0.000 4.221 167 E HN 0.408 nan 8.360 nan 0.000 0.873 168 E N 2.040 122.280 120.200 0.067 0.000 3.014 168 E HA -0.096 4.254 4.350 0.000 0.000 0.293 168 E C -0.649 176.020 176.600 0.114 0.000 0.949 168 E CA 1.325 57.778 56.400 0.088 0.000 0.993 168 E CB 0.574 30.335 29.700 0.102 0.000 1.019 168 E HN 0.193 nan 8.360 nan 0.000 0.480 169 T N 3.602 118.222 114.554 0.111 0.000 2.884 169 T HA 0.555 4.905 4.350 0.000 0.000 0.277 169 T C 0.950 175.738 174.700 0.148 0.000 0.976 169 T CA -0.047 62.125 62.100 0.120 0.000 0.956 169 T CB 0.426 69.347 68.868 0.088 0.000 1.113 169 T HN 0.593 nan 8.240 nan 0.000 0.554 170 I N -2.804 117.856 120.570 0.149 0.000 4.811 170 I HA 0.630 4.800 4.170 0.000 0.000 0.388 170 I C -0.056 176.178 176.117 0.196 0.000 1.133 170 I CA -0.678 60.737 61.300 0.192 0.000 1.400 170 I CB -0.042 38.091 38.000 0.220 0.000 2.153 170 I HN 0.630 nan 8.210 nan 0.000 0.695 171 A N 1.535 124.440 122.820 0.142 0.000 2.550 171 A HA 0.843 5.163 4.320 0.000 0.000 0.295 171 A C -1.714 175.906 177.584 0.060 0.000 1.001 171 A CA 0.036 52.143 52.037 0.117 0.000 0.660 171 A CB 0.824 19.925 19.000 0.169 0.000 1.308 171 A HN 1.100 nan 8.150 nan 0.000 0.426 172 A N 0.878 123.724 122.820 0.044 0.000 2.513 172 A HA 0.617 4.937 4.320 0.000 0.000 0.285 172 A C -0.240 177.355 177.584 0.018 0.000 1.047 172 A CA 0.010 52.061 52.037 0.024 0.000 0.864 172 A CB -0.012 19.006 19.000 0.030 0.000 1.373 172 A HN 2.040 nan 8.150 nan 0.000 0.403 173 V N 0.969 120.885 119.914 0.003 0.000 3.803 173 V HA 0.341 4.461 4.120 0.000 0.000 0.300 173 V C 0.807 176.905 176.094 0.007 0.000 1.111 173 V CA 0.578 62.879 62.300 0.002 0.000 1.189 173 V CB 0.875 32.692 31.823 -0.010 0.000 1.118 173 V HN 1.716 nan 8.190 nan 0.000 0.486 174 V N -2.197 117.721 119.914 0.006 0.000 2.789 174 V HA 0.523 4.643 4.120 0.000 0.000 0.300 174 V C -2.884 173.213 176.094 0.005 0.000 1.184 174 V CA -1.813 60.492 62.300 0.007 0.000 0.930 174 V CB 1.334 33.164 31.823 0.011 0.000 1.041 174 V HN 0.688 nan 8.190 nan 0.000 0.430 175 P HA 0.276 nan 4.420 nan 0.000 0.278 175 P C -2.393 174.909 177.300 0.004 0.000 1.270 175 P CA -0.478 62.624 63.100 0.003 0.000 0.800 175 P CB -0.300 31.401 31.700 0.003 0.000 1.142 176 P HA 0.035 nan 4.420 nan 0.000 0.271 176 P C -0.332 176.970 177.300 0.004 0.000 1.238 176 P CA 0.515 63.617 63.100 0.004 0.000 0.794 176 P CB 0.981 32.683 31.700 0.003 0.000 0.959 177 E N -0.246 119.957 120.200 0.005 0.000 3.343 177 E HA 0.393 4.743 4.350 0.000 0.000 0.221 177 E C 0.021 176.623 176.600 0.004 0.000 1.224 177 E CA 0.154 56.557 56.400 0.005 0.000 1.057 177 E CB 0.103 29.806 29.700 0.006 0.000 3.107 177 E HN 0.677 nan 8.360 nan 0.000 0.568 178 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