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 1bd2_1_E DATA FIRST_RESID 3 DATA SEQUENCE GVTQTPKFQV LKTGQSMTLQ cAQDMNHEYM SWYRQDPGMG LRLIHYSVGA DATA SEQUENCE GITDQGEVPN GXYNVSRSTT EDFPLRLLSA APSQTSVYFc ASSYPGGGFX DATA SEQUENCE XYEQYFGPGT RLTVTEDLKN VFPPEVAVFE PSEAEISHTQ KATLVcLATG DATA SEQUENCE FYPDHVELSW WVNGKEVHSG VSTDPQPLKE QPALNDSRYA LSSRLRVSAT DATA SEQUENCE FWQDPRNHFR cQVQFYGLSE NDEWTQDRAK PVTQIVSAEA WGRAD 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 3 G C 0.000 174.830 174.900 -0.117 0.000 0.946 3 G CA 0.000 45.008 45.100 -0.153 0.000 0.502 4 V N 1.654 121.520 119.914 -0.080 0.000 2.350 4 V HA 0.710 4.833 4.120 0.006 0.000 0.276 4 V C 0.243 176.318 176.094 -0.033 0.000 1.028 4 V CA 0.558 62.827 62.300 -0.052 0.000 0.860 4 V CB 0.577 32.382 31.823 -0.030 0.000 0.990 4 V HN 1.329 nan 8.190 nan 0.000 0.453 5 T N 4.531 119.065 114.554 -0.033 0.000 2.895 5 T HA 0.759 5.112 4.350 0.006 0.000 0.283 5 T C -0.649 174.046 174.700 -0.009 0.000 1.014 5 T CA -0.762 61.326 62.100 -0.020 0.000 1.037 5 T CB 1.672 70.528 68.868 -0.020 0.000 1.006 5 T HN 0.973 nan 8.240 nan 0.000 0.468 6 Q N 0.209 120.008 119.800 -0.001 0.000 2.284 6 Q HA 0.617 4.961 4.340 0.006 0.000 0.269 6 Q C -1.285 174.721 176.000 0.009 0.000 1.026 6 Q CA -1.068 54.754 55.803 0.031 0.000 0.831 6 Q CB 1.867 30.637 28.738 0.054 0.000 1.322 6 Q HN 0.802 nan 8.270 nan 0.000 0.419 7 T N -0.328 114.239 114.554 0.022 0.000 2.887 7 T HA 0.770 5.124 4.350 0.006 0.000 0.288 7 T C -2.692 171.998 174.700 -0.017 0.000 1.021 7 T CA -2.151 59.941 62.100 -0.013 0.000 1.000 7 T CB 1.691 70.556 68.868 -0.004 0.000 1.034 7 T HN 0.391 nan 8.240 nan 0.000 0.467 8 P HA 0.482 nan 4.420 nan 0.000 0.282 8 P C 0.563 177.760 177.300 -0.172 0.000 1.287 8 P CA -0.851 62.203 63.100 -0.077 0.000 0.792 8 P CB 1.068 32.736 31.700 -0.053 0.000 1.163 9 K N -0.994 119.248 120.400 -0.264 0.000 2.128 9 K HA 0.154 4.478 4.320 0.006 0.000 0.202 9 K C -0.152 175.898 176.600 -0.917 0.000 1.050 9 K CA 1.006 56.946 56.287 -0.578 0.000 0.966 9 K CB 0.047 32.164 32.500 -0.638 0.000 0.759 9 K HN 0.310 nan 8.250 nan 0.000 0.454 10 F N -0.280 119.422 119.950 -0.413 0.000 2.576 10 F HA 0.412 4.942 4.527 0.005 0.000 0.313 10 F C -0.547 175.146 175.800 -0.178 0.000 1.078 10 F CA -1.020 56.700 58.000 -0.468 0.000 0.921 10 F CB 2.108 40.745 39.000 -0.606 0.000 1.232 10 F HN -0.230 nan 8.300 nan 0.000 0.459 11 Q N 1.277 121.160 119.800 0.138 0.000 2.353 11 Q HA 0.750 5.093 4.340 0.006 0.000 0.275 11 Q C -2.145 173.990 176.000 0.224 0.000 1.029 11 Q CA -0.652 55.232 55.803 0.135 0.000 0.848 11 Q CB 2.553 31.295 28.738 0.007 0.000 1.390 11 Q HN 0.474 nan 8.270 nan 0.000 0.401 12 V N 4.282 124.263 119.914 0.111 0.000 2.588 12 V HA 0.679 4.803 4.120 0.006 0.000 0.304 12 V C -0.553 175.572 176.094 0.051 0.000 1.042 12 V CA -0.596 61.737 62.300 0.055 0.000 0.877 12 V CB 1.573 33.381 31.823 -0.025 0.000 0.996 12 V HN 0.763 nan 8.190 nan 0.000 0.425 13 L N 3.186 124.444 121.223 0.058 0.000 2.327 13 L HA 0.684 5.027 4.340 0.006 0.000 0.258 13 L C -0.526 176.385 176.870 0.067 0.000 1.024 13 L CA -0.851 54.018 54.840 0.048 0.000 0.825 13 L CB 2.708 44.780 42.059 0.022 0.000 1.386 13 L HN 0.640 nan 8.230 nan 0.000 0.417 14 K N 0.393 120.828 120.400 0.057 0.000 2.221 14 K HA 0.422 4.746 4.320 0.006 0.000 0.258 14 K C -0.768 175.856 176.600 0.040 0.000 0.944 14 K CA -0.479 55.846 56.287 0.063 0.000 0.823 14 K CB 1.714 34.252 32.500 0.063 0.000 1.113 14 K HN 0.574 nan 8.250 nan 0.000 0.431 15 T N 2.429 117.008 114.554 0.041 0.000 2.765 15 T HA 0.092 4.445 4.350 0.006 0.000 0.275 15 T C 1.077 175.782 174.700 0.010 0.000 1.007 15 T CA 1.499 63.613 62.100 0.023 0.000 1.175 15 T CB 0.064 68.947 68.868 0.025 0.000 0.993 15 T HN 0.959 nan 8.240 nan 0.000 0.510 16 G N 2.834 111.632 108.800 -0.005 0.000 2.278 16 G HA2 -0.178 3.786 3.960 0.006 0.000 0.210 16 G HA3 -0.178 3.786 3.960 0.006 0.000 0.210 16 G C 0.035 174.925 174.900 -0.017 0.000 1.000 16 G CA -0.422 44.671 45.100 -0.011 0.000 0.635 16 G HN 0.682 nan 8.290 nan 0.000 0.495 17 Q N 1.470 121.262 119.800 -0.013 0.000 2.340 17 Q HA 0.544 4.887 4.340 0.006 0.000 0.249 17 Q C 0.618 176.595 176.000 -0.038 0.000 0.957 17 Q CA 0.359 56.151 55.803 -0.018 0.000 0.882 17 Q CB 1.082 29.816 28.738 -0.006 0.000 1.235 17 Q HN 0.579 nan 8.270 nan 0.000 0.439 18 S N 1.589 117.263 115.700 -0.044 0.000 2.652 18 S HA 0.741 5.214 4.470 0.006 0.000 0.270 18 S C -0.462 174.095 174.600 -0.071 0.000 1.243 18 S CA -0.815 57.347 58.200 -0.063 0.000 0.999 18 S CB 1.413 64.579 63.200 -0.058 0.000 0.973 18 S HN 0.591 nan 8.310 nan 0.000 0.544 19 M N 1.356 120.898 119.600 -0.097 0.000 2.426 19 M HA 0.458 4.942 4.480 0.006 0.000 0.289 19 M C -1.302 174.910 176.300 -0.147 0.000 1.168 19 M CA -0.163 55.070 55.300 -0.111 0.000 0.933 19 M CB 2.017 34.542 32.600 -0.125 0.000 1.750 19 M HN 1.008 nan 8.290 nan 0.000 0.494 20 T N 3.929 118.397 114.554 -0.142 0.000 2.848 20 T HA 0.760 5.113 4.350 0.006 0.000 0.285 20 T C -1.230 173.363 174.700 -0.180 0.000 0.995 20 T CA -0.671 61.324 62.100 -0.175 0.000 0.970 20 T CB 0.688 69.475 68.868 -0.136 0.000 0.976 20 T HN 0.740 nan 8.240 nan 0.000 0.441 21 L N 4.149 125.211 121.223 -0.269 0.000 2.276 21 L HA 0.472 4.816 4.340 0.006 0.000 0.286 21 L C 0.349 177.221 176.870 0.003 0.000 1.061 21 L CA -0.986 53.734 54.840 -0.201 0.000 0.807 21 L CB 1.401 43.171 42.059 -0.482 0.000 1.177 21 L HN 0.555 nan 8.230 nan 0.000 0.429 22 Q N 2.373 122.231 119.800 0.097 0.000 2.241 22 Q HA 0.327 4.671 4.340 0.006 0.000 0.254 22 Q C -0.799 175.344 176.000 0.238 0.000 0.917 22 Q CA -0.218 55.669 55.803 0.140 0.000 0.919 22 Q CB 2.379 31.153 28.738 0.060 0.000 1.237 22 Q HN 0.640 nan 8.270 nan 0.000 0.434 23 c N 1.949 120.690 118.600 0.236 0.000 2.397 23 c HA 0.868 5.442 4.570 0.006 0.000 0.325 23 c C -0.946 173.191 174.090 0.078 0.000 1.201 23 c CA -0.259 56.147 56.329 0.128 0.000 1.377 23 c CB 0.238 42.771 42.510 0.038 0.000 2.038 23 c HN 0.840 nan 8.230 nan 0.000 0.457 24 A N 6.010 128.844 122.820 0.024 0.000 2.371 24 A HA 0.827 5.151 4.320 0.006 0.000 0.311 24 A C -1.084 176.482 177.584 -0.030 0.000 1.068 24 A CA -0.305 51.735 52.037 0.006 0.000 0.744 24 A CB 1.508 20.510 19.000 0.003 0.000 1.239 24 A HN 0.917 nan 8.150 nan 0.000 0.435 25 Q N 0.981 120.754 119.800 -0.045 0.000 2.356 25 Q HA 0.532 4.875 4.340 0.006 0.000 0.270 25 Q C -0.617 175.314 176.000 -0.115 0.000 1.058 25 Q CA 0.336 56.084 55.803 -0.091 0.000 0.802 25 Q CB 1.879 30.566 28.738 -0.086 0.000 1.303 25 Q HN 0.784 nan 8.270 nan 0.000 0.444 26 D N 3.606 123.915 120.400 -0.150 0.000 2.395 26 D HA 0.221 4.865 4.640 0.006 0.000 0.213 26 D C 1.035 177.211 176.300 -0.207 0.000 1.110 26 D CA 0.117 54.029 54.000 -0.146 0.000 0.835 26 D CB -0.018 40.712 40.800 -0.115 0.000 0.965 26 D HN 0.675 nan 8.370 nan 0.000 0.505 27 M N -0.248 119.155 119.600 -0.328 0.000 2.505 27 M HA 0.185 4.669 4.480 0.006 0.000 0.230 27 M C 0.177 176.239 176.300 -0.396 0.000 1.153 27 M CA -0.209 54.811 55.300 -0.467 0.000 0.997 27 M CB -0.004 32.053 32.600 -0.906 0.000 1.606 27 M HN -0.033 nan 8.290 nan 0.000 0.481 28 N N 1.793 120.336 118.700 -0.261 0.000 2.727 28 N HA -0.182 4.562 4.740 0.006 0.000 0.249 28 N C -0.844 174.528 175.510 -0.230 0.000 1.048 28 N CA 0.816 53.737 53.050 -0.215 0.000 0.714 28 N CB -1.581 36.778 38.487 -0.213 0.000 0.959 28 N HN 0.639 nan 8.380 nan 0.000 0.544 29 H N -0.333 118.581 119.070 -0.259 0.000 2.548 29 H HA 0.277 4.836 4.556 0.006 0.000 0.331 29 H C 1.483 176.726 175.328 -0.142 0.000 1.093 29 H CA 0.355 56.267 56.048 -0.227 0.000 1.367 29 H CB 1.027 30.742 29.762 -0.079 0.000 1.455 29 H HN 0.413 nan 8.280 nan 0.000 0.519 30 E N 3.774 123.997 120.200 0.038 0.000 2.230 30 E HA -0.074 4.280 4.350 0.006 0.000 0.192 30 E C -0.089 176.578 176.600 0.111 0.000 0.987 30 E CA 0.481 56.927 56.400 0.078 0.000 0.841 30 E CB 0.250 30.047 29.700 0.162 0.000 0.783 30 E HN 0.548 nan 8.360 nan 0.000 0.481 31 Y N -0.064 120.236 120.300 0.000 0.000 2.352 31 Y HA 0.636 5.189 4.550 0.006 0.000 0.339 31 Y C -0.444 175.388 175.900 -0.114 0.000 0.992 31 Y CA -1.282 56.786 58.100 -0.052 0.000 1.100 31 Y CB 1.418 39.873 38.460 -0.009 0.000 1.192 31 Y HN 0.047 nan 8.280 nan 0.000 0.458 32 M N 5.140 124.353 119.600 -0.645 0.000 2.446 32 M HA 0.543 5.027 4.480 0.006 0.000 0.294 32 M C -1.082 174.738 176.300 -0.801 0.000 1.158 32 M CA -0.654 54.305 55.300 -0.568 0.000 0.899 32 M CB 2.608 34.906 32.600 -0.503 0.000 1.687 32 M HN 0.715 nan 8.290 nan 0.000 0.455 33 S N 0.154 115.652 115.700 -0.337 0.000 2.627 33 S HA 0.764 5.238 4.470 0.006 0.000 0.283 33 S C -2.019 172.599 174.600 0.029 0.000 1.127 33 S CA -0.887 57.257 58.200 -0.093 0.000 0.863 33 S CB 1.494 64.664 63.200 -0.050 0.000 1.121 33 S HN 0.752 nan 8.310 nan 0.000 0.479 34 W N 0.832 122.203 121.300 0.118 0.000 2.619 34 W HA 0.666 5.329 4.660 0.006 0.000 0.327 34 W C -1.343 175.139 176.519 -0.061 0.000 1.027 34 W CA -0.389 57.030 57.345 0.124 0.000 1.233 34 W CB 1.339 30.855 29.460 0.094 0.000 1.370 34 W HN 0.679 nan 8.180 nan 0.000 0.453 35 Y N 1.621 122.213 120.300 0.487 0.000 2.650 35 Y HA 0.708 5.261 4.550 0.005 0.000 0.331 35 Y C 0.061 176.105 175.900 0.239 0.000 1.082 35 Y CA -1.553 56.750 58.100 0.338 0.000 1.171 35 Y CB 1.896 40.585 38.460 0.382 0.000 1.326 35 Y HN 0.308 nan 8.280 nan 0.000 0.513 36 R N 0.653 121.311 120.500 0.264 0.000 2.515 36 R HA 0.407 4.750 4.340 0.006 0.000 0.278 36 R C -1.827 174.526 176.300 0.087 0.000 1.107 36 R CA -0.963 55.118 56.100 -0.031 0.000 0.945 36 R CB 1.646 31.683 30.300 -0.439 0.000 1.219 36 R HN 0.667 nan 8.270 nan 0.000 0.434 37 Q N 2.667 122.549 119.800 0.136 0.000 2.314 37 Q HA 0.254 4.597 4.340 0.006 0.000 0.259 37 Q C -1.309 174.740 176.000 0.081 0.000 0.951 37 Q CA -0.503 55.381 55.803 0.134 0.000 0.909 37 Q CB 1.494 30.367 28.738 0.224 0.000 1.236 37 Q HN 0.675 nan 8.270 nan 0.000 0.444 38 D N 4.429 124.868 120.400 0.065 0.000 2.433 38 D HA 0.258 4.901 4.640 0.006 0.000 0.236 38 D C -1.875 174.461 176.300 0.060 0.000 1.026 38 D CA -1.430 52.608 54.000 0.064 0.000 0.884 38 D CB 1.837 42.673 40.800 0.060 0.000 1.384 38 D HN 0.298 nan 8.370 nan 0.000 0.477 39 P HA -0.108 nan 4.420 nan 0.000 0.216 39 P C 1.393 178.719 177.300 0.044 0.000 1.157 39 P CA 1.127 64.260 63.100 0.056 0.000 0.880 39 P CB 0.189 31.928 31.700 0.064 0.000 0.791 40 G N -1.659 107.168 108.800 0.046 0.000 2.448 40 G HA2 0.059 4.022 3.960 0.006 0.000 0.218 40 G HA3 0.059 4.022 3.960 0.006 0.000 0.218 40 G C 0.977 175.896 174.900 0.033 0.000 1.135 40 G CA 1.163 46.286 45.100 0.038 0.000 0.784 40 G HN 0.388 nan 8.290 nan 0.000 0.543 41 M N 0.216 119.838 119.600 0.037 0.000 3.200 41 M HA 0.675 5.159 4.480 0.006 0.000 0.335 41 M C 1.136 177.455 176.300 0.032 0.000 1.446 41 M CA 0.296 55.617 55.300 0.034 0.000 0.691 41 M CB -0.476 32.149 32.600 0.042 0.000 1.409 41 M HN 1.320 nan 8.290 nan 0.000 0.488 42 G N 1.050 109.860 108.800 0.016 0.000 2.596 42 G HA2 -0.173 3.791 3.960 0.006 0.000 0.334 42 G HA3 -0.173 3.791 3.960 0.006 0.000 0.334 42 G C 0.173 175.083 174.900 0.016 0.000 1.351 42 G CA 0.597 45.694 45.100 -0.005 0.000 0.965 42 G HN 1.331 nan 8.290 nan 0.000 0.533 43 L N 0.143 121.368 121.223 0.003 0.000 2.360 43 L HA 0.753 5.097 4.340 0.006 0.000 0.271 43 L C 0.841 177.824 176.870 0.189 0.000 1.057 43 L CA -0.639 54.248 54.840 0.079 0.000 0.803 43 L CB 1.565 43.587 42.059 -0.061 0.000 1.207 43 L HN 0.582 nan 8.230 nan 0.000 0.445 44 R N 1.374 122.053 120.500 0.298 0.000 2.673 44 R HA 0.493 4.837 4.340 0.006 0.000 0.281 44 R C -1.457 175.000 176.300 0.261 0.000 0.991 44 R CA -1.015 55.237 56.100 0.253 0.000 0.896 44 R CB 2.533 32.912 30.300 0.133 0.000 1.201 44 R HN 0.323 nan 8.270 nan 0.000 0.457 45 L N 3.147 124.440 121.223 0.117 0.000 2.349 45 L HA 0.300 4.643 4.340 0.006 0.000 0.275 45 L C 0.378 177.218 176.870 -0.050 0.000 1.115 45 L CA 0.487 55.231 54.840 -0.159 0.000 0.820 45 L CB 0.756 42.723 42.059 -0.154 0.000 1.135 45 L HN 0.720 nan 8.230 nan 0.000 0.445 46 I N 2.054 122.595 120.570 -0.048 0.000 2.962 46 I HA 0.163 4.337 4.170 0.006 0.000 0.246 46 I C -0.080 176.020 176.117 -0.028 0.000 1.091 46 I CA -0.113 61.172 61.300 -0.025 0.000 1.469 46 I CB 0.125 38.065 38.000 -0.101 0.000 1.324 46 I HN 0.587 nan 8.210 nan 0.000 0.461 47 H N -1.546 117.593 119.070 0.115 0.000 3.037 47 H HA 0.490 5.049 4.556 0.006 0.000 0.355 47 H C -1.560 173.951 175.328 0.305 0.000 1.263 47 H CA -0.609 55.547 56.048 0.180 0.000 1.129 47 H CB 2.062 31.922 29.762 0.163 0.000 1.861 47 H HN 0.050 nan 8.280 nan 0.000 0.546 48 Y N -1.542 118.907 120.300 0.248 0.000 2.597 48 Y HA 0.745 5.298 4.550 0.005 0.000 0.340 48 Y C -1.164 174.563 175.900 -0.288 0.000 1.097 48 Y CA -1.057 56.962 58.100 -0.134 0.000 1.037 48 Y CB 1.737 40.068 38.460 -0.216 0.000 1.305 48 Y HN 0.500 nan 8.280 nan 0.000 0.463 49 S N 1.118 116.357 115.700 -0.767 0.000 2.647 49 S HA 0.420 4.894 4.470 0.006 0.000 0.300 49 S C 0.124 174.467 174.600 -0.429 0.000 1.129 49 S CA -0.230 57.591 58.200 -0.632 0.000 1.029 49 S CB 1.167 63.832 63.200 -0.892 0.000 1.007 49 S HN 1.373 nan 8.310 nan 0.000 0.484 50 V N 2.484 122.370 119.914 -0.045 0.000 3.461 50 V HA 0.645 4.769 4.120 0.006 0.000 0.267 50 V C 0.873 177.030 176.094 0.105 0.000 1.186 50 V CA 1.011 63.440 62.300 0.215 0.000 1.154 50 V CB -0.817 31.186 31.823 0.300 0.000 0.802 50 V HN 1.052 nan 8.190 nan 0.000 0.474 51 G N -1.175 107.618 108.800 -0.012 0.000 2.325 51 G HA2 0.538 4.502 3.960 0.006 0.000 0.297 51 G HA3 0.538 4.502 3.960 0.006 0.000 0.297 51 G C -0.484 174.407 174.900 -0.015 0.000 1.448 51 G CA -0.436 44.666 45.100 0.003 0.000 0.838 51 G HN 1.081 nan 8.290 nan 0.000 0.579 52 A N -0.512 122.308 122.820 -0.000 0.000 2.583 52 A HA 0.519 4.842 4.320 0.006 0.000 0.249 52 A C 1.871 179.464 177.584 0.015 0.000 1.035 52 A CA 2.231 54.273 52.037 0.009 0.000 0.777 52 A CB -0.538 18.469 19.000 0.011 0.000 0.942 52 A HN 2.913 nan 8.150 nan 0.000 0.516 53 G N 1.484 110.297 108.800 0.022 0.000 2.179 53 G HA2 -0.231 3.732 3.960 0.006 0.000 0.260 53 G HA3 -0.231 3.732 3.960 0.006 0.000 0.260 53 G C 0.039 174.950 174.900 0.018 0.000 0.977 53 G CA 0.508 45.621 45.100 0.023 0.000 0.641 53 G HN 0.989 nan 8.290 nan 0.000 0.533 54 I N 1.263 121.838 120.570 0.008 0.000 2.569 54 I HA 0.705 4.879 4.170 0.006 0.000 0.296 54 I C 0.222 176.318 176.117 -0.035 0.000 1.028 54 I CA -0.250 61.047 61.300 -0.006 0.000 1.082 54 I CB 2.529 40.530 38.000 0.002 0.000 1.264 54 I HN 0.290 nan 8.210 nan 0.000 0.429 55 T N 0.219 114.745 114.554 -0.047 0.000 2.889 55 T HA 0.701 5.054 4.350 0.006 0.000 0.315 55 T C -1.339 173.271 174.700 -0.150 0.000 1.291 55 T CA -0.796 61.258 62.100 -0.077 0.000 1.028 55 T CB 2.369 71.276 68.868 0.064 0.000 1.235 55 T HN 0.518 nan 8.240 nan 0.000 0.491 56 D N 0.251 120.450 120.400 -0.335 0.000 2.654 56 D HA 0.319 4.963 4.640 0.006 0.000 0.231 56 D C -0.933 175.208 176.300 -0.265 0.000 1.239 56 D CA -0.599 53.213 54.000 -0.314 0.000 0.790 56 D CB 2.085 42.645 40.800 -0.400 0.000 1.480 56 D HN 0.793 nan 8.370 nan 0.000 0.442 57 Q N 0.755 120.490 119.800 -0.108 0.000 2.354 57 Q HA 0.620 4.963 4.340 0.006 0.000 0.244 57 Q C 0.140 176.136 176.000 -0.007 0.000 0.969 57 Q CA -0.768 54.882 55.803 -0.255 0.000 0.885 57 Q CB 1.557 30.142 28.738 -0.256 0.000 1.241 57 Q HN 0.421 nan 8.270 nan 0.000 0.461 58 G N 0.356 109.118 108.800 -0.063 0.000 3.019 58 G HA2 0.039 4.002 3.960 0.006 0.000 0.152 58 G HA3 0.039 4.002 3.960 0.006 0.000 0.152 58 G C 0.221 175.130 174.900 0.015 0.000 1.320 58 G CA -0.050 45.091 45.100 0.067 0.000 1.013 58 G HN 0.861 nan 8.290 nan 0.000 0.593 59 E N -1.221 118.996 120.200 0.028 0.000 2.015 59 E HA -0.088 4.265 4.350 0.006 0.000 0.191 59 E C 1.151 177.770 176.600 0.032 0.000 0.991 59 E CA 1.367 57.788 56.400 0.035 0.000 0.802 59 E CB -0.073 29.659 29.700 0.053 0.000 0.759 59 E HN 0.260 nan 8.360 nan 0.000 0.447 60 V N -0.452 119.484 119.914 0.036 0.000 2.205 60 V HA 0.340 4.464 4.120 0.006 0.000 0.263 60 V C -2.114 174.037 176.094 0.095 0.000 1.138 60 V CA -1.092 61.252 62.300 0.072 0.000 1.059 60 V CB 0.803 32.686 31.823 0.100 0.000 1.232 60 V HN 0.149 nan 8.190 nan 0.000 0.469 61 P HA 0.099 nan 4.420 nan 0.000 0.251 61 P C 0.109 177.557 177.300 0.246 0.000 1.223 61 P CA 0.026 63.144 63.100 0.030 0.000 0.796 61 P CB 0.372 31.908 31.700 -0.272 0.000 1.068 62 N N 1.488 120.300 118.700 0.186 0.000 2.452 62 N HA 0.329 5.073 4.740 0.006 0.000 0.266 62 N C 1.157 176.702 175.510 0.059 0.000 1.209 62 N CA 1.473 54.597 53.050 0.123 0.000 0.929 62 N CB 0.068 38.598 38.487 0.071 0.000 1.063 62 N HN 0.233 nan 8.380 nan 0.000 0.472 66 N N 0.236 118.895 118.700 -0.068 0.000 2.402 66 N HA 0.838 5.582 4.740 0.006 0.000 0.294 66 N C -1.833 173.424 175.510 -0.421 0.000 1.203 66 N CA -0.845 52.073 53.050 -0.220 0.000 0.838 66 N CB 3.007 41.409 38.487 -0.141 0.000 1.306 66 N HN 0.389 nan 8.380 nan 0.000 0.510 67 V N 0.172 119.803 119.914 -0.471 0.000 3.204 67 V HA 0.581 4.705 4.120 0.006 0.000 0.298 67 V C -1.365 174.570 176.094 -0.265 0.000 1.328 67 V CA -0.332 61.664 62.300 -0.505 0.000 1.035 67 V CB 2.278 33.661 31.823 -0.733 0.000 1.095 67 V HN 0.972 nan 8.190 nan 0.000 0.442 68 S N 3.479 119.061 115.700 -0.198 0.000 2.596 68 S HA 0.881 5.355 4.470 0.006 0.000 0.270 68 S C -1.073 173.616 174.600 0.148 0.000 1.155 68 S CA -0.957 57.237 58.200 -0.010 0.000 0.827 68 S CB 2.351 65.528 63.200 -0.039 0.000 1.130 68 S HN 0.959 nan 8.310 nan 0.000 0.467 69 R N 0.797 121.391 120.500 0.158 0.000 2.928 69 R HA 0.427 4.771 4.340 0.006 0.000 0.248 69 R C 0.047 176.399 176.300 0.088 0.000 1.796 69 R CA 0.250 56.464 56.100 0.190 0.000 1.477 69 R CB 0.053 30.471 30.300 0.198 0.000 1.484 69 R HN 0.775 nan 8.270 nan 0.000 0.623 70 S N -0.951 114.788 115.700 0.065 0.000 2.558 70 S HA 0.079 4.552 4.470 0.006 0.000 0.217 70 S C 0.599 175.218 174.600 0.032 0.000 0.975 70 S CA 0.415 58.638 58.200 0.037 0.000 0.912 70 S CB 0.156 63.370 63.200 0.024 0.000 0.776 70 S HN 0.582 nan 8.310 nan 0.000 0.526 71 T N -2.014 112.565 114.554 0.042 0.000 2.903 71 T HA 0.474 4.827 4.350 0.006 0.000 0.299 71 T C 0.475 175.191 174.700 0.026 0.000 1.093 71 T CA -0.256 61.860 62.100 0.027 0.000 1.002 71 T CB 1.577 70.460 68.868 0.023 0.000 1.127 71 T HN -0.063 nan 8.240 nan 0.000 0.488 72 T N -0.409 114.147 114.554 0.004 0.000 3.055 72 T HA 0.033 4.387 4.350 0.006 0.000 0.265 72 T C 1.127 175.819 174.700 -0.013 0.000 1.111 72 T CA 1.213 63.306 62.100 -0.011 0.000 1.118 72 T CB -0.372 68.479 68.868 -0.028 0.000 0.909 72 T HN 0.676 nan 8.240 nan 0.000 0.501 73 E N 1.054 121.251 120.200 -0.005 0.000 2.122 73 E HA 0.095 4.448 4.350 0.006 0.000 0.190 73 E C 0.225 176.838 176.600 0.022 0.000 0.977 73 E CA 0.688 57.082 56.400 -0.010 0.000 0.820 73 E CB 0.257 29.947 29.700 -0.017 0.000 0.770 73 E HN 0.597 nan 8.360 nan 0.000 0.462 74 D N -0.657 119.779 120.400 0.059 0.000 2.457 74 D HA 0.249 4.893 4.640 0.006 0.000 0.240 74 D C -1.136 175.298 176.300 0.223 0.000 1.041 74 D CA -0.562 53.504 54.000 0.110 0.000 0.861 74 D CB 1.981 42.828 40.800 0.079 0.000 1.394 74 D HN -0.096 nan 8.370 nan 0.000 0.473 75 F N 3.000 122.989 119.950 0.065 0.000 2.931 75 F HA 0.240 4.771 4.527 0.006 0.000 0.375 75 F C -2.640 173.352 175.800 0.321 0.000 1.243 75 F CA -2.334 55.742 58.000 0.127 0.000 1.206 75 F CB 1.498 40.538 39.000 0.066 0.000 1.643 75 F HN -0.053 nan 8.300 nan 0.000 0.593 76 P HA 0.158 nan 4.420 nan 0.000 0.282 76 P C -0.782 176.303 177.300 -0.358 0.000 1.262 76 P CA -0.282 62.774 63.100 -0.074 0.000 0.773 76 P CB 1.961 33.617 31.700 -0.072 0.000 0.879 77 L N 3.937 124.834 121.223 -0.543 0.000 2.259 77 L HA 0.515 4.859 4.340 0.006 0.000 0.288 77 L C 0.350 176.912 176.870 -0.513 0.000 1.051 77 L CA -0.314 54.004 54.840 -0.869 0.000 0.824 77 L CB -0.047 40.935 42.059 -1.796 0.000 1.206 77 L HN 0.402 nan 8.230 nan 0.000 0.429 78 R N 4.712 125.007 120.500 -0.343 0.000 2.312 78 R HA 0.694 5.038 4.340 0.006 0.000 0.311 78 R C -1.212 175.006 176.300 -0.138 0.000 1.004 78 R CA -0.441 55.529 56.100 -0.216 0.000 0.902 78 R CB 0.543 30.739 30.300 -0.173 0.000 1.073 78 R HN 0.613 nan 8.270 nan 0.000 0.457 79 L N 3.662 124.799 121.223 -0.144 0.000 2.277 79 L HA 0.339 4.683 4.340 0.006 0.000 0.284 79 L C 1.445 178.232 176.870 -0.138 0.000 1.028 79 L CA -0.142 54.601 54.840 -0.163 0.000 0.835 79 L CB 1.547 43.501 42.059 -0.175 0.000 1.215 79 L HN 0.775 nan 8.230 nan 0.000 0.425 80 L N 1.322 122.468 121.223 -0.128 0.000 2.141 80 L HA -0.037 4.306 4.340 0.006 0.000 0.209 80 L C 0.382 177.203 176.870 -0.081 0.000 1.094 80 L CA 0.907 55.691 54.840 -0.094 0.000 0.763 80 L CB -0.033 41.980 42.059 -0.078 0.000 0.908 80 L HN 0.818 nan 8.230 nan 0.000 0.437 81 S N -1.250 114.395 115.700 -0.092 0.000 2.461 81 S HA 0.575 5.049 4.470 0.006 0.000 0.245 81 S C -0.317 174.236 174.600 -0.078 0.000 1.039 81 S CA -0.733 57.426 58.200 -0.069 0.000 1.077 81 S CB 0.890 64.059 63.200 -0.052 0.000 1.171 81 S HN 0.142 nan 8.310 nan 0.000 0.433 82 A N 2.543 125.322 122.820 -0.067 0.000 2.547 82 A HA 0.661 4.984 4.320 0.006 0.000 0.233 82 A C 0.720 178.284 177.584 -0.034 0.000 1.067 82 A CA 0.332 52.334 52.037 -0.057 0.000 0.763 82 A CB -0.222 18.760 19.000 -0.029 0.000 1.007 82 A HN 2.238 nan 8.150 nan 0.000 0.506 83 A N 2.253 125.060 122.820 -0.022 0.000 2.549 83 A HA 0.718 5.042 4.320 0.006 0.000 0.297 83 A C -2.207 175.400 177.584 0.038 0.000 1.061 83 A CA -1.275 50.763 52.037 0.002 0.000 0.690 83 A CB 0.937 19.926 19.000 -0.018 0.000 1.287 83 A HN 0.429 nan 8.150 nan 0.000 0.402 84 P HA -0.205 nan 4.420 nan 0.000 0.218 84 P C 1.579 178.938 177.300 0.099 0.000 1.146 84 P CA 2.337 65.489 63.100 0.087 0.000 0.820 84 P CB 0.173 31.920 31.700 0.079 0.000 0.778 85 S N -0.844 114.904 115.700 0.079 0.000 2.423 85 S HA -0.169 4.304 4.470 0.006 0.000 0.231 85 S C 1.668 176.345 174.600 0.129 0.000 1.014 85 S CA 0.787 59.042 58.200 0.091 0.000 0.965 85 S CB -1.109 62.131 63.200 0.068 0.000 0.785 85 S HN 0.311 nan 8.310 nan 0.000 0.495 86 Q N 1.362 121.243 119.800 0.135 0.000 2.466 86 Q HA 0.108 4.452 4.340 0.006 0.000 0.210 86 Q C -0.306 175.885 176.000 0.317 0.000 0.961 86 Q CA 0.254 56.204 55.803 0.245 0.000 0.953 86 Q CB -0.366 28.459 28.738 0.145 0.000 1.011 86 Q HN 0.383 nan 8.270 nan 0.000 0.516 87 T N 1.093 115.781 114.554 0.225 0.000 2.750 87 T HA 0.242 4.595 4.350 0.006 0.000 0.286 87 T C -0.169 174.665 174.700 0.224 0.000 0.911 87 T CA 0.140 62.377 62.100 0.228 0.000 1.130 87 T CB 0.513 69.495 68.868 0.190 0.000 0.873 87 T HN 0.090 nan 8.240 nan 0.000 0.536 88 S N 2.456 118.325 115.700 0.281 0.000 2.694 88 S HA 0.543 5.016 4.470 0.006 0.000 0.273 88 S C -1.640 173.070 174.600 0.182 0.000 1.180 88 S CA -0.712 57.580 58.200 0.152 0.000 0.864 88 S CB 0.855 64.035 63.200 -0.034 0.000 1.198 88 S HN 0.339 nan 8.310 nan 0.000 0.499 89 V N 2.795 122.731 119.914 0.036 0.000 2.384 89 V HA 0.542 4.666 4.120 0.006 0.000 0.287 89 V C -1.474 174.537 176.094 -0.138 0.000 1.020 89 V CA -0.393 61.886 62.300 -0.035 0.000 0.850 89 V CB 0.761 32.537 31.823 -0.078 0.000 0.987 89 V HN 0.731 nan 8.190 nan 0.000 0.436 90 Y N 4.527 124.688 120.300 -0.232 0.000 2.342 90 Y HA 0.696 5.250 4.550 0.005 0.000 0.334 90 Y C -0.290 175.532 175.900 -0.130 0.000 1.067 90 Y CA -1.136 56.967 58.100 0.005 0.000 1.128 90 Y CB 1.356 39.896 38.460 0.133 0.000 1.200 90 Y HN 0.490 nan 8.280 nan 0.000 0.464 91 F N 1.459 121.713 119.950 0.506 0.000 2.532 91 F HA 0.561 5.091 4.527 0.005 0.000 0.321 91 F C -0.214 175.669 175.800 0.138 0.000 1.089 91 F CA -0.966 57.239 58.000 0.342 0.000 0.926 91 F CB 1.431 40.656 39.000 0.374 0.000 1.168 91 F HN 0.433 nan 8.300 nan 0.000 0.459 92 c N 2.665 121.231 118.600 -0.058 0.000 2.411 92 c HA 0.964 5.538 4.570 0.006 0.000 0.330 92 c C -0.405 173.542 174.090 -0.239 0.000 1.224 92 c CA -0.154 55.824 56.329 -0.586 0.000 1.770 92 c CB -0.079 41.850 42.510 -0.968 0.000 2.297 92 c HN 0.970 nan 8.230 nan 0.000 0.507 93 A N 3.417 126.054 122.820 -0.304 0.000 2.498 93 A HA 0.936 5.259 4.320 0.006 0.000 0.298 93 A C -0.581 176.897 177.584 -0.177 0.000 1.075 93 A CA -0.076 51.721 52.037 -0.399 0.000 0.714 93 A CB 1.692 20.139 19.000 -0.922 0.000 1.299 93 A HN 1.741 nan 8.150 nan 0.000 0.407 94 S N 0.048 115.713 115.700 -0.060 0.000 2.588 94 S HA 0.933 5.406 4.470 0.006 0.000 0.275 94 S C -0.515 174.157 174.600 0.121 0.000 1.130 94 S CA 0.240 58.503 58.200 0.105 0.000 0.855 94 S CB 1.587 64.882 63.200 0.159 0.000 1.116 94 S HN 2.359 nan 8.310 nan 0.000 0.472 95 S N 0.747 116.480 115.700 0.055 0.000 2.611 95 S HA 0.648 5.122 4.470 0.006 0.000 0.268 95 S C -2.027 172.447 174.600 -0.210 0.000 1.156 95 S CA -0.744 57.294 58.200 -0.270 0.000 0.817 95 S CB 1.239 64.305 63.200 -0.223 0.000 1.122 95 S HN 1.458 nan 8.310 nan 0.000 0.466 96 Y N 1.918 121.966 120.300 -0.419 0.000 2.662 96 Y HA 0.507 5.061 4.550 0.006 0.000 0.358 96 Y C -2.816 173.081 175.900 -0.005 0.000 1.041 96 Y CA -2.603 55.399 58.100 -0.164 0.000 1.184 96 Y CB 0.926 39.251 38.460 -0.226 0.000 1.114 96 Y HN 0.408 nan 8.280 nan 0.000 0.650 97 P HA -0.119 nan 4.420 nan 0.000 0.213 97 P C 1.564 178.787 177.300 -0.129 0.000 1.170 97 P CA 2.638 65.713 63.100 -0.042 0.000 0.902 97 P CB 0.178 31.856 31.700 -0.037 0.000 0.789 98 G N -1.450 107.251 108.800 -0.165 0.000 2.740 98 G HA2 -0.015 3.948 3.960 0.006 0.000 0.208 98 G HA3 -0.015 3.948 3.960 0.006 0.000 0.208 98 G C 1.135 175.786 174.900 -0.415 0.000 1.148 98 G CA 0.723 45.708 45.100 -0.192 0.000 0.795 98 G HN 0.450 nan 8.290 nan 0.000 0.526 99 G N -1.950 106.393 108.800 -0.761 0.000 3.342 99 G HA2 0.429 4.393 3.960 0.006 0.000 0.252 99 G HA3 0.429 4.393 3.960 0.006 0.000 0.252 99 G C 0.959 175.484 174.900 -0.626 0.000 1.011 99 G CA 0.452 45.107 45.100 -0.741 0.000 0.869 99 G HN 1.187 nan 8.290 nan 0.000 0.514 100 G N -0.652 107.721 108.800 -0.711 0.000 2.195 100 G HA2 -0.218 3.745 3.960 0.006 0.000 0.224 100 G HA3 -0.218 3.745 3.960 0.006 0.000 0.224 100 G C 0.193 174.165 174.900 -1.548 0.000 0.990 100 G CA -0.029 44.419 45.100 -1.087 0.000 0.639 100 G HN 0.310 nan 8.290 nan 0.000 0.514 105 E N 3.157 123.290 120.200 -0.111 0.000 2.415 105 E HA 0.145 4.499 4.350 0.006 0.000 0.260 105 E C -0.230 176.148 176.600 -0.370 0.000 1.016 105 E CA 0.324 56.624 56.400 -0.167 0.000 0.924 105 E CB 0.371 29.986 29.700 -0.142 0.000 0.961 105 E HN 0.229 nan 8.360 nan 0.000 0.459 106 Q N 2.004 121.664 119.800 -0.233 0.000 2.259 106 Q HA 0.248 4.591 4.340 0.006 0.000 0.249 106 Q C -1.062 174.840 176.000 -0.164 0.000 0.914 106 Q CA -0.573 55.074 55.803 -0.259 0.000 0.904 106 Q CB 0.636 29.291 28.738 -0.139 0.000 1.213 106 Q HN 0.457 nan 8.270 nan 0.000 0.428 107 Y N 2.199 122.476 120.300 -0.037 0.000 2.331 107 Y HA 0.353 4.907 4.550 0.006 0.000 0.338 107 Y C -0.750 175.077 175.900 -0.123 0.000 0.976 107 Y CA -0.993 57.120 58.100 0.022 0.000 1.137 107 Y CB 0.624 39.126 38.460 0.071 0.000 1.172 107 Y HN 0.467 nan 8.280 nan 0.000 0.478 108 F N 1.341 121.387 119.950 0.160 0.000 2.404 108 F HA 0.610 5.140 4.527 0.006 0.000 0.339 108 F C 1.092 176.943 175.800 0.085 0.000 1.105 108 F CA -0.797 57.252 58.000 0.082 0.000 1.087 108 F CB 1.165 40.147 39.000 -0.031 0.000 1.143 108 F HN 0.600 nan 8.300 nan 0.000 0.491 109 G N 2.660 111.600 108.800 0.233 0.000 2.651 109 G HA2 0.241 4.204 3.960 0.006 0.000 0.260 109 G HA3 0.241 4.204 3.960 0.006 0.000 0.260 109 G C -1.631 173.420 174.900 0.251 0.000 1.216 109 G CA -1.003 44.188 45.100 0.151 0.000 0.913 109 G HN 0.473 nan 8.290 nan 0.000 0.535 110 P HA 0.053 nan 4.420 nan 0.000 0.220 110 P C 0.889 178.279 177.300 0.151 0.000 1.148 110 P CA 1.523 64.706 63.100 0.138 0.000 0.803 110 P CB 0.014 31.730 31.700 0.025 0.000 0.782 111 G N -0.406 108.395 108.800 0.002 0.000 2.712 111 G HA2 0.071 4.035 3.960 0.006 0.000 0.686 111 G HA3 0.071 4.035 3.960 0.006 0.000 0.686 111 G C -0.611 174.058 174.900 -0.385 0.000 1.181 111 G CA -0.356 44.456 45.100 -0.480 0.000 0.762 111 G HN 0.438 nan 8.290 nan 0.000 0.641 112 T N -0.220 114.125 114.554 -0.349 0.000 2.840 112 T HA 0.707 5.060 4.350 0.006 0.000 0.287 112 T C 0.220 174.758 174.700 -0.270 0.000 0.991 112 T CA -0.649 61.267 62.100 -0.306 0.000 0.964 112 T CB 1.305 70.075 68.868 -0.165 0.000 0.954 112 T HN 0.751 nan 8.240 nan 0.000 0.438 113 R N 2.563 122.812 120.500 -0.419 0.000 2.390 113 R HA 0.608 4.952 4.340 0.006 0.000 0.291 113 R C -0.743 175.438 176.300 -0.199 0.000 1.070 113 R CA -0.608 55.318 56.100 -0.291 0.000 1.014 113 R CB 0.985 31.040 30.300 -0.409 0.000 1.007 113 R HN 0.672 nan 8.270 nan 0.000 0.466 114 L N 1.573 122.819 121.223 0.038 0.000 2.431 114 L HA 0.454 4.797 4.340 0.006 0.000 0.266 114 L C -1.185 175.833 176.870 0.246 0.000 0.978 114 L CA -0.178 54.738 54.840 0.126 0.000 0.822 114 L CB 2.673 44.743 42.059 0.017 0.000 1.310 114 L HN 0.537 nan 8.230 nan 0.000 0.409 115 T N 3.571 118.284 114.554 0.265 0.000 2.881 115 T HA 0.513 4.866 4.350 0.006 0.000 0.290 115 T C -1.441 173.339 174.700 0.133 0.000 1.000 115 T CA -0.413 61.797 62.100 0.183 0.000 0.978 115 T CB 1.973 70.873 68.868 0.052 0.000 0.997 115 T HN 0.412 nan 8.240 nan 0.000 0.443 116 V N 4.056 124.059 119.914 0.149 0.000 2.487 116 V HA 0.807 4.931 4.120 0.006 0.000 0.298 116 V C -0.493 175.702 176.094 0.168 0.000 1.028 116 V CA -0.227 62.151 62.300 0.130 0.000 0.860 116 V CB 1.550 33.429 31.823 0.094 0.000 0.991 116 V HN 1.059 nan 8.190 nan 0.000 0.427 117 T N 2.765 117.423 114.554 0.174 0.000 2.950 117 T HA 0.514 4.867 4.350 0.006 0.000 0.288 117 T C 0.514 175.280 174.700 0.110 0.000 1.035 117 T CA -0.498 61.711 62.100 0.182 0.000 1.028 117 T CB 2.029 71.050 68.868 0.254 0.000 1.109 117 T HN 0.624 nan 8.240 nan 0.000 0.514 118 E N 1.060 121.308 120.200 0.080 0.000 2.072 118 E HA 0.123 4.477 4.350 0.006 0.000 0.190 118 E C 0.751 177.378 176.600 0.046 0.000 0.982 118 E CA 1.620 58.050 56.400 0.050 0.000 0.803 118 E CB -0.110 29.609 29.700 0.032 0.000 0.755 118 E HN 0.917 nan 8.360 nan 0.000 0.453 119 D N -0.698 119.733 120.400 0.052 0.000 2.696 119 D HA 0.311 4.954 4.640 0.006 0.000 0.251 119 D C 0.597 176.949 176.300 0.087 0.000 1.188 119 D CA -0.463 53.565 54.000 0.047 0.000 0.876 119 D CB 0.558 41.366 40.800 0.013 0.000 1.334 119 D HN 0.030 nan 8.370 nan 0.000 0.540 120 L N 0.301 121.593 121.223 0.115 0.000 2.549 120 L HA -0.001 4.342 4.340 0.006 0.000 0.230 120 L C 3.206 180.237 176.870 0.268 0.000 1.162 120 L CA 1.550 56.509 54.840 0.199 0.000 0.834 120 L CB -0.369 41.834 42.059 0.239 0.000 0.947 120 L HN 0.686 nan 8.230 nan 0.000 0.452 121 K N -0.657 119.821 120.400 0.130 0.000 2.504 121 K HA -0.062 4.261 4.320 0.006 0.000 0.195 121 K C 1.501 178.057 176.600 -0.074 0.000 1.036 121 K CA 0.857 57.179 56.287 0.059 0.000 0.984 121 K CB -0.599 31.855 32.500 -0.076 0.000 0.788 121 K HN 0.368 nan 8.250 nan 0.000 0.488 122 N N 0.277 118.982 118.700 0.008 0.000 2.376 122 N HA -0.012 4.731 4.740 0.006 0.000 0.177 122 N C 0.169 175.784 175.510 0.177 0.000 1.024 122 N CA 0.494 53.553 53.050 0.014 0.000 0.893 122 N CB 0.117 38.582 38.487 -0.037 0.000 0.980 122 N HN 0.268 nan 8.380 nan 0.000 0.439 123 V N 2.181 122.211 119.914 0.193 0.000 2.529 123 V HA 0.055 4.179 4.120 0.006 0.000 0.292 123 V C -0.338 175.735 176.094 -0.035 0.000 1.028 123 V CA 0.383 62.850 62.300 0.278 0.000 1.074 123 V CB -0.379 31.555 31.823 0.184 0.000 0.958 123 V HN -0.037 nan 8.190 nan 0.000 0.481 124 F N 5.294 125.387 119.950 0.238 0.000 2.561 124 F HA 0.539 5.069 4.527 0.005 0.000 0.313 124 F C -2.388 173.182 175.800 -0.383 0.000 1.126 124 F CA -2.236 55.766 58.000 0.004 0.000 0.918 124 F CB 2.443 41.493 39.000 0.082 0.000 1.199 124 F HN 0.324 nan 8.300 nan 0.000 0.444 125 P HA 0.223 nan 4.420 nan 0.000 0.274 125 P C -2.576 174.467 177.300 -0.427 0.000 1.256 125 P CA -1.063 61.345 63.100 -1.154 0.000 0.795 125 P CB 0.329 31.635 31.700 -0.656 0.000 1.038 126 P HA 0.219 nan 4.420 nan 0.000 0.278 126 P C -0.916 176.373 177.300 -0.019 0.000 1.258 126 P CA -0.126 62.972 63.100 -0.004 0.000 0.811 126 P CB 0.966 32.613 31.700 -0.089 0.000 1.063 127 E N 0.355 120.587 120.200 0.053 0.000 2.346 127 E HA 0.269 4.623 4.350 0.006 0.000 0.239 127 E C -0.413 176.214 176.600 0.046 0.000 0.943 127 E CA -0.794 55.621 56.400 0.025 0.000 0.751 127 E CB 1.378 31.092 29.700 0.023 0.000 1.241 127 E HN 0.242 nan 8.360 nan 0.000 0.423 128 V N 1.167 121.087 119.914 0.010 0.000 2.785 128 V HA 0.873 4.997 4.120 0.006 0.000 0.300 128 V C -0.525 175.574 176.094 0.009 0.000 1.062 128 V CA -0.146 62.162 62.300 0.013 0.000 1.029 128 V CB 1.355 33.148 31.823 -0.049 0.000 1.024 128 V HN 0.564 nan 8.190 nan 0.000 0.477 129 A N 5.042 127.889 122.820 0.046 0.000 2.532 129 A HA 0.675 4.998 4.320 0.006 0.000 0.296 129 A C -0.723 176.883 177.584 0.037 0.000 1.058 129 A CA -0.018 52.005 52.037 -0.024 0.000 0.729 129 A CB 1.325 20.267 19.000 -0.095 0.000 1.285 129 A HN 2.282 nan 8.150 nan 0.000 0.396 130 V N -0.421 119.471 119.914 -0.038 0.000 2.716 130 V HA 0.936 5.059 4.120 0.006 0.000 0.304 130 V C -0.848 175.226 176.094 -0.033 0.000 1.053 130 V CA -0.721 61.666 62.300 0.146 0.000 0.984 130 V CB 0.916 32.845 31.823 0.176 0.000 1.021 130 V HN 0.642 nan 8.190 nan 0.000 0.467 131 F N 1.336 121.331 119.950 0.075 0.000 2.449 131 F HA 0.572 5.103 4.527 0.006 0.000 0.342 131 F C 0.578 176.358 175.800 -0.034 0.000 1.127 131 F CA -0.827 57.192 58.000 0.032 0.000 0.975 131 F CB 1.296 40.310 39.000 0.022 0.000 1.146 131 F HN 0.648 nan 8.300 nan 0.000 0.444 132 E N 3.531 123.769 120.200 0.065 0.000 2.422 132 E HA 0.152 4.505 4.350 0.006 0.000 0.260 132 E C -2.153 174.304 176.600 -0.239 0.000 1.108 132 E CA -1.514 54.801 56.400 -0.142 0.000 0.943 132 E CB 0.088 29.789 29.700 0.001 0.000 0.961 132 E HN 0.273 nan 8.360 nan 0.000 0.443 133 P HA -0.080 nan 4.420 nan 0.000 0.269 133 P C -0.633 176.533 177.300 -0.223 0.000 1.211 133 P CA 0.165 62.980 63.100 -0.475 0.000 0.781 133 P CB 0.541 31.724 31.700 -0.862 0.000 0.877 134 S N 0.641 116.258 115.700 -0.139 0.000 2.565 134 S HA 0.338 4.811 4.470 0.006 0.000 0.274 134 S C 1.564 176.154 174.600 -0.018 0.000 1.309 134 S CA 0.211 58.381 58.200 -0.051 0.000 1.043 134 S CB 0.404 63.582 63.200 -0.036 0.000 0.939 134 S HN 0.445 nan 8.310 nan 0.000 0.504 135 E N 3.715 123.930 120.200 0.026 0.000 2.150 135 E HA 0.020 4.374 4.350 0.006 0.000 0.193 135 E C 2.218 178.849 176.600 0.052 0.000 0.985 135 E CA 1.567 58.002 56.400 0.059 0.000 0.814 135 E CB -1.101 28.640 29.700 0.069 0.000 0.752 135 E HN 0.965 nan 8.360 nan 0.000 0.466 136 A N 0.724 123.564 122.820 0.033 0.000 1.873 136 A HA -0.161 4.162 4.320 0.006 0.000 0.215 136 A C 2.250 179.874 177.584 0.066 0.000 1.186 136 A CA 1.832 53.890 52.037 0.035 0.000 0.616 136 A CB -0.328 18.672 19.000 0.000 0.000 0.823 136 A HN 0.574 nan 8.150 nan 0.000 0.442 137 E N -0.024 120.200 120.200 0.041 0.000 2.038 137 E HA -0.223 4.131 4.350 0.006 0.000 0.195 137 E C 2.250 178.885 176.600 0.059 0.000 1.000 137 E CA 1.975 58.408 56.400 0.055 0.000 0.803 137 E CB -0.501 29.193 29.700 -0.009 0.000 0.750 137 E HN 0.516 nan 8.360 nan 0.000 0.448 138 I N 0.721 121.312 120.570 0.035 0.000 2.151 138 I HA -0.271 3.902 4.170 0.006 0.000 0.243 138 I C 2.617 178.777 176.117 0.071 0.000 1.080 138 I CA 2.631 63.965 61.300 0.056 0.000 1.339 138 I CB -1.661 36.395 38.000 0.094 0.000 1.039 138 I HN 0.306 nan 8.210 nan 0.000 0.409 139 S N -1.182 114.568 115.700 0.084 0.000 2.348 139 S HA -0.335 4.139 4.470 0.006 0.000 0.221 139 S C 2.343 176.999 174.600 0.093 0.000 1.033 139 S CA 2.278 60.529 58.200 0.085 0.000 1.010 139 S CB -0.801 62.451 63.200 0.086 0.000 0.891 139 S HN 0.905 nan 8.310 nan 0.000 0.442 140 H N 0.370 119.447 119.070 0.012 0.000 2.387 140 H HA -0.008 4.551 4.556 0.006 0.000 0.299 140 H C 2.126 177.456 175.328 0.004 0.000 1.090 140 H CA 2.442 58.494 56.048 0.006 0.000 1.332 140 H CB -0.276 29.486 29.762 -0.000 0.000 1.386 140 H HN 0.606 nan 8.280 nan 0.000 0.516 141 T N -4.472 110.023 114.554 -0.098 0.000 2.959 141 T HA 0.171 4.525 4.350 0.006 0.000 0.254 141 T C 0.707 175.365 174.700 -0.069 0.000 1.003 141 T CA 0.416 62.424 62.100 -0.153 0.000 0.950 141 T CB 0.438 69.260 68.868 -0.076 0.000 1.090 141 T HN 0.277 nan 8.240 nan 0.000 0.503 142 Q N -0.003 119.786 119.800 -0.018 0.000 2.466 142 Q HA -0.101 4.243 4.340 0.006 0.000 0.248 142 Q C -0.598 175.415 176.000 0.022 0.000 0.791 142 Q CA 1.065 56.875 55.803 0.012 0.000 1.225 142 Q CB -1.734 27.006 28.738 0.004 0.000 1.418 142 Q HN 0.652 nan 8.270 nan 0.000 0.662 143 K N -0.657 119.744 120.400 0.002 0.000 2.395 143 K HA 0.883 5.207 4.320 0.006 0.000 0.247 143 K C -0.969 175.607 176.600 -0.041 0.000 0.973 143 K CA -0.415 55.864 56.287 -0.014 0.000 0.828 143 K CB 2.090 34.566 32.500 -0.041 0.000 1.272 143 K HN 0.056 nan 8.250 nan 0.000 0.439 144 A N 1.164 123.933 122.820 -0.085 0.000 2.353 144 A HA 0.496 4.820 4.320 0.006 0.000 0.299 144 A C -0.976 176.434 177.584 -0.289 0.000 1.089 144 A CA -0.645 51.264 52.037 -0.214 0.000 0.736 144 A CB 1.109 19.946 19.000 -0.273 0.000 1.195 144 A HN 0.539 nan 8.150 nan 0.000 0.447 145 T N 3.454 117.830 114.554 -0.298 0.000 2.756 145 T HA 0.510 4.864 4.350 0.006 0.000 0.290 145 T C -0.357 174.141 174.700 -0.337 0.000 0.985 145 T CA -0.185 61.741 62.100 -0.290 0.000 0.955 145 T CB 0.393 69.147 68.868 -0.190 0.000 0.930 145 T HN 0.375 nan 8.240 nan 0.000 0.451 146 L N 3.416 124.399 121.223 -0.401 0.000 2.357 146 L HA 0.685 5.029 4.340 0.006 0.000 0.273 146 L C -0.057 176.754 176.870 -0.098 0.000 1.080 146 L CA -0.491 54.172 54.840 -0.295 0.000 0.803 146 L CB 1.607 43.453 42.059 -0.354 0.000 1.174 146 L HN 0.465 nan 8.230 nan 0.000 0.443 147 V N 3.170 123.183 119.914 0.164 0.000 2.577 147 V HA 0.473 4.597 4.120 0.006 0.000 0.303 147 V C -0.781 175.607 176.094 0.490 0.000 1.042 147 V CA -0.641 61.827 62.300 0.279 0.000 0.872 147 V CB 1.614 33.480 31.823 0.072 0.000 0.998 147 V HN 0.917 nan 8.190 nan 0.000 0.423 148 c N 7.407 126.342 118.600 0.559 0.000 2.405 148 c HA 0.838 5.412 4.570 0.006 0.000 0.365 148 c C -0.513 173.713 174.090 0.226 0.000 1.233 148 c CA -0.446 56.049 56.329 0.276 0.000 2.230 148 c CB 0.750 43.184 42.510 -0.128 0.000 2.443 148 c HN 0.957 nan 8.230 nan 0.000 0.556 149 L N 5.582 126.950 121.223 0.243 0.000 2.504 149 L HA 0.650 4.993 4.340 0.006 0.000 0.265 149 L C -0.096 176.886 176.870 0.186 0.000 0.975 149 L CA -0.051 54.919 54.840 0.215 0.000 0.864 149 L CB 1.035 43.255 42.059 0.268 0.000 1.212 149 L HN 0.886 nan 8.230 nan 0.000 0.416 150 A N 3.075 125.996 122.820 0.169 0.000 2.274 150 A HA 0.848 5.172 4.320 0.006 0.000 0.309 150 A C 0.011 177.798 177.584 0.338 0.000 1.226 150 A CA 0.243 52.395 52.037 0.193 0.000 0.853 150 A CB 0.499 19.564 19.000 0.109 0.000 1.146 150 A HN 0.757 nan 8.150 nan 0.000 0.518 151 T N -1.499 113.232 114.554 0.295 0.000 2.841 151 T HA 0.675 5.028 4.350 0.006 0.000 0.296 151 T C 0.764 175.575 174.700 0.185 0.000 1.166 151 T CA 0.189 62.424 62.100 0.226 0.000 1.007 151 T CB 1.222 70.152 68.868 0.103 0.000 1.253 151 T HN 2.351 nan 8.240 nan 0.000 0.511 152 G N 0.751 109.561 108.800 0.016 0.000 2.205 152 G HA2 -0.206 3.757 3.960 0.006 0.000 0.261 152 G HA3 -0.206 3.757 3.960 0.006 0.000 0.261 152 G C 0.018 174.934 174.900 0.026 0.000 0.980 152 G CA 0.342 45.406 45.100 -0.062 0.000 0.632 152 G HN 1.565 nan 8.290 nan 0.000 0.533 153 F N -0.307 119.701 119.950 0.097 0.000 2.418 153 F HA 0.741 5.272 4.527 0.007 0.000 0.341 153 F C -0.119 175.941 175.800 0.433 0.000 1.120 153 F CA -1.794 56.323 58.000 0.194 0.000 1.232 153 F CB 0.591 39.693 39.000 0.169 0.000 1.175 153 F HN 0.303 nan 8.300 nan 0.000 0.569 154 Y N 4.050 124.670 120.300 0.534 0.000 2.390 154 Y HA 0.422 4.976 4.550 0.006 0.000 0.324 154 Y C -2.998 173.185 175.900 0.472 0.000 1.151 154 Y CA -2.569 55.820 58.100 0.481 0.000 1.053 154 Y CB 2.012 40.700 38.460 0.379 0.000 1.277 154 Y HN 0.578 nan 8.280 nan 0.000 0.432 155 P HA 0.068 nan 4.420 nan 0.000 0.274 155 P C -0.109 177.069 177.300 -0.202 0.000 1.246 155 P CA 0.126 62.724 63.100 -0.837 0.000 0.795 155 P CB 0.983 32.034 31.700 -1.082 0.000 1.006 156 D N -0.837 119.360 120.400 -0.338 0.000 2.368 156 D HA -0.126 4.517 4.640 0.006 0.000 0.250 156 D C -0.082 176.322 176.300 0.174 0.000 1.142 156 D CA 0.429 54.366 54.000 -0.105 0.000 0.925 156 D CB -1.105 39.180 40.800 -0.859 0.000 0.896 156 D HN 0.297 nan 8.370 nan 0.000 0.525 157 H N 0.734 119.722 119.070 -0.137 0.000 3.330 157 H HA 0.322 4.881 4.556 0.006 0.000 0.260 157 H C 0.470 175.436 175.328 -0.604 0.000 1.439 157 H CA -0.769 54.988 56.048 -0.486 0.000 1.540 157 H CB -0.596 28.770 29.762 -0.660 0.000 1.698 157 H HN 0.102 nan 8.280 nan 0.000 0.516 158 V N 0.168 119.903 119.914 -0.299 0.000 3.049 158 V HA 0.608 4.732 4.120 0.006 0.000 0.309 158 V C -0.311 175.734 176.094 -0.080 0.000 1.148 158 V CA -1.112 61.038 62.300 -0.250 0.000 0.990 158 V CB 3.221 34.784 31.823 -0.434 0.000 1.039 158 V HN 0.456 nan 8.190 nan 0.000 0.430 159 E N 2.850 123.045 120.200 -0.008 0.000 2.279 159 E HA 0.501 4.854 4.350 0.006 0.000 0.252 159 E C -1.228 175.394 176.600 0.037 0.000 0.894 159 E CA -0.406 56.045 56.400 0.087 0.000 0.785 159 E CB 2.382 32.206 29.700 0.207 0.000 1.237 159 E HN 0.816 nan 8.360 nan 0.000 0.418 160 L N 2.964 124.201 121.223 0.025 0.000 2.282 160 L HA 0.546 4.890 4.340 0.006 0.000 0.288 160 L C -0.708 176.173 176.870 0.018 0.000 1.033 160 L CA -0.146 54.682 54.840 -0.020 0.000 0.807 160 L CB 0.807 42.837 42.059 -0.048 0.000 1.209 160 L HN 0.523 nan 8.230 nan 0.000 0.423 161 S N 2.272 117.978 115.700 0.010 0.000 2.570 161 S HA 0.612 5.086 4.470 0.006 0.000 0.286 161 S C -1.460 173.166 174.600 0.044 0.000 1.099 161 S CA -0.793 57.437 58.200 0.050 0.000 0.913 161 S CB 1.105 64.356 63.200 0.085 0.000 1.085 161 S HN 0.616 nan 8.310 nan 0.000 0.480 162 W N 0.751 122.040 121.300 -0.017 0.000 2.520 162 W HA 0.681 5.345 4.660 0.006 0.000 0.323 162 W C -1.408 175.099 176.519 -0.019 0.000 1.062 162 W CA -0.137 57.253 57.345 0.075 0.000 1.215 162 W CB 1.294 30.761 29.460 0.011 0.000 1.340 162 W HN 0.676 nan 8.180 nan 0.000 0.516 163 W N 3.056 124.472 121.300 0.193 0.000 2.781 163 W HA 0.609 5.272 4.660 0.006 0.000 0.333 163 W C -1.307 175.258 176.519 0.077 0.000 1.047 163 W CA -0.986 56.411 57.345 0.086 0.000 1.236 163 W CB 1.007 30.477 29.460 0.017 0.000 1.394 163 W HN -0.159 nan 8.180 nan 0.000 0.466 164 V N 4.355 124.422 119.914 0.256 0.000 2.495 164 V HA 0.293 4.416 4.120 0.006 0.000 0.298 164 V C -0.040 176.113 176.094 0.097 0.000 1.031 164 V CA -1.110 61.252 62.300 0.103 0.000 0.871 164 V CB 1.590 33.487 31.823 0.123 0.000 0.988 164 V HN 0.681 nan 8.190 nan 0.000 0.432 165 N N 3.930 122.648 118.700 0.031 0.000 2.727 165 N HA -0.213 4.531 4.740 0.006 0.000 0.249 165 N C 1.199 176.783 175.510 0.124 0.000 1.048 165 N CA 1.617 54.704 53.050 0.062 0.000 0.714 165 N CB -1.204 37.305 38.487 0.036 0.000 0.959 165 N HN 1.504 nan 8.380 nan 0.000 0.544 166 G N -1.802 107.108 108.800 0.182 0.000 2.245 166 G HA2 -0.395 3.568 3.960 0.006 0.000 0.264 166 G HA3 -0.395 3.568 3.960 0.006 0.000 0.264 166 G C 0.084 175.223 174.900 0.398 0.000 0.985 166 G CA 1.130 46.359 45.100 0.215 0.000 0.625 166 G HN 0.554 nan 8.290 nan 0.000 0.536 167 K N 0.866 121.462 120.400 0.327 0.000 2.182 167 K HA 0.542 4.865 4.320 0.006 0.000 0.262 167 K C 0.236 176.900 176.600 0.107 0.000 0.957 167 K CA -0.639 55.801 56.287 0.256 0.000 0.842 167 K CB 1.952 34.526 32.500 0.123 0.000 1.099 167 K HN 0.331 nan 8.250 nan 0.000 0.438 168 E N 1.672 121.677 120.200 -0.325 0.000 2.418 168 E HA 0.072 4.425 4.350 0.006 0.000 0.261 168 E C -0.958 175.402 176.600 -0.400 0.000 1.070 168 E CA -0.169 55.752 56.400 -0.798 0.000 0.931 168 E CB 0.683 29.596 29.700 -1.312 0.000 0.954 168 E HN 0.179 nan 8.360 nan 0.000 0.439 169 V N 3.887 123.552 119.914 -0.416 0.000 2.823 169 V HA 0.211 4.334 4.120 0.006 0.000 0.312 169 V C 0.105 175.937 176.094 -0.438 0.000 1.072 169 V CA -0.625 61.518 62.300 -0.262 0.000 0.937 169 V CB 1.810 33.578 31.823 -0.091 0.000 1.013 169 V HN 0.791 nan 8.190 nan 0.000 0.430 170 H N 0.311 119.339 119.070 -0.071 0.000 2.926 170 H HA 0.238 4.798 4.556 0.006 0.000 0.249 170 H C 1.219 176.510 175.328 -0.062 0.000 0.963 170 H CA 0.412 56.427 56.048 -0.055 0.000 1.158 170 H CB 1.097 30.825 29.762 -0.056 0.000 1.445 170 H HN 0.577 nan 8.280 nan 0.000 0.452 171 S N -0.395 115.321 115.700 0.027 0.000 2.579 171 S HA 0.305 4.778 4.470 0.006 0.000 0.275 171 S C 1.461 176.004 174.600 -0.095 0.000 1.345 171 S CA 0.871 59.053 58.200 -0.031 0.000 1.031 171 S CB 0.376 63.547 63.200 -0.048 0.000 0.892 171 S HN 0.753 nan 8.310 nan 0.000 0.529 172 G N 1.364 110.103 108.800 -0.102 0.000 2.270 172 G HA2 -0.259 3.704 3.960 0.006 0.000 0.268 172 G HA3 -0.259 3.704 3.960 0.006 0.000 0.268 172 G C 0.393 175.176 174.900 -0.194 0.000 0.982 172 G CA 0.604 45.613 45.100 -0.152 0.000 0.628 172 G HN 1.660 nan 8.290 nan 0.000 0.544 173 V N -0.567 119.249 119.914 -0.164 0.000 2.644 173 V HA 0.865 4.989 4.120 0.006 0.000 0.295 173 V C 0.050 176.114 176.094 -0.051 0.000 1.053 173 V CA 0.476 62.669 62.300 -0.177 0.000 0.987 173 V CB 1.976 33.715 31.823 -0.140 0.000 1.006 173 V HN 1.340 nan 8.190 nan 0.000 0.472 174 S N 3.465 119.155 115.700 -0.018 0.000 2.614 174 S HA 0.625 5.098 4.470 0.006 0.000 0.275 174 S C -0.750 173.911 174.600 0.102 0.000 1.161 174 S CA 0.069 58.290 58.200 0.034 0.000 0.969 174 S CB 1.530 64.731 63.200 0.000 0.000 1.059 174 S HN 1.509 nan 8.310 nan 0.000 0.482 175 T N 3.057 117.683 114.554 0.119 0.000 2.921 175 T HA 0.413 4.767 4.350 0.006 0.000 0.297 175 T C -1.282 173.487 174.700 0.116 0.000 1.013 175 T CA -0.617 61.572 62.100 0.149 0.000 0.990 175 T CB 0.802 69.783 68.868 0.188 0.000 1.023 175 T HN 0.648 nan 8.240 nan 0.000 0.447 176 D N 6.122 126.591 120.400 0.114 0.000 2.648 176 D HA 0.039 4.683 4.640 0.006 0.000 0.229 176 D C -1.305 175.058 176.300 0.105 0.000 1.119 176 D CA -0.836 53.225 54.000 0.103 0.000 0.850 176 D CB 1.160 42.029 40.800 0.114 0.000 1.169 176 D HN 0.431 nan 8.370 nan 0.000 0.489 177 P HA -0.038 nan 4.420 nan 0.000 0.220 177 P C 0.146 177.506 177.300 0.099 0.000 1.148 177 P CA 1.420 64.571 63.100 0.086 0.000 0.803 177 P CB 0.348 32.089 31.700 0.068 0.000 0.782 178 Q N -0.725 119.140 119.800 0.109 0.000 2.309 178 Q HA 0.536 4.880 4.340 0.006 0.000 0.273 178 Q C -3.112 172.981 176.000 0.155 0.000 1.040 178 Q CA -1.829 54.049 55.803 0.124 0.000 0.834 178 Q CB 0.158 28.962 28.738 0.109 0.000 1.345 178 Q HN -0.085 nan 8.270 nan 0.000 0.414 179 P HA 0.472 nan 4.420 nan 0.000 0.271 179 P C -0.585 176.884 177.300 0.283 0.000 1.218 179 P CA -0.443 62.817 63.100 0.268 0.000 0.780 179 P CB 0.450 32.358 31.700 0.348 0.000 0.901 180 L N -1.377 119.988 121.223 0.236 0.000 2.289 180 L HA 0.765 5.108 4.340 0.006 0.000 0.285 180 L C 0.469 177.398 176.870 0.099 0.000 1.049 180 L CA -1.213 53.729 54.840 0.169 0.000 0.804 180 L CB -0.017 42.096 42.059 0.089 0.000 1.195 180 L HN 0.130 nan 8.230 nan 0.000 0.428 181 K N 1.758 122.165 120.400 0.011 0.000 2.412 181 K HA 0.179 4.503 4.320 0.006 0.000 0.281 181 K C 0.602 177.081 176.600 -0.202 0.000 1.027 181 K CA 0.309 56.412 56.287 -0.307 0.000 0.989 181 K CB -0.048 32.306 32.500 -0.242 0.000 0.935 181 K HN 0.946 nan 8.250 nan 0.000 0.475 182 E N 0.705 120.750 120.200 -0.257 0.000 2.444 182 E HA 0.033 4.386 4.350 0.006 0.000 0.191 182 E C -0.406 176.111 176.600 -0.138 0.000 1.041 182 E CA -0.213 56.091 56.400 -0.159 0.000 0.883 182 E CB 0.404 30.017 29.700 -0.146 0.000 1.024 182 E HN 0.517 nan 8.360 nan 0.000 0.470 183 Q N 0.211 119.919 119.800 -0.153 0.000 3.966 183 Q HA 0.150 4.494 4.340 0.006 0.000 0.198 183 Q C -2.383 173.554 176.000 -0.106 0.000 0.872 183 Q CA -1.266 54.467 55.803 -0.115 0.000 0.767 183 Q CB 1.528 30.192 28.738 -0.123 0.000 1.516 183 Q HN 0.097 nan 8.270 nan 0.000 0.434 184 P HA -0.175 nan 4.420 nan 0.000 0.218 184 P C 1.064 178.343 177.300 -0.035 0.000 1.146 184 P CA 1.625 64.695 63.100 -0.051 0.000 0.820 184 P CB 0.373 32.055 31.700 -0.030 0.000 0.778 185 A N -1.576 121.222 122.820 -0.037 0.000 2.119 185 A HA 0.029 4.352 4.320 0.006 0.000 0.216 185 A C 0.974 178.541 177.584 -0.029 0.000 1.152 185 A CA 0.540 52.562 52.037 -0.026 0.000 0.708 185 A CB -0.812 18.174 19.000 -0.025 0.000 0.805 185 A HN 0.139 nan 8.150 nan 0.000 0.460 186 L N -0.018 121.176 121.223 -0.048 0.000 2.325 186 L HA 0.286 4.629 4.340 0.006 0.000 0.279 186 L C 0.716 177.557 176.870 -0.048 0.000 1.054 186 L CA -0.703 54.105 54.840 -0.053 0.000 0.804 186 L CB 1.170 43.182 42.059 -0.078 0.000 1.200 186 L HN 0.215 nan 8.230 nan 0.000 0.436 187 N N 0.958 119.638 118.700 -0.034 0.000 2.062 187 N HA -0.127 4.616 4.740 0.006 0.000 0.191 187 N C 0.598 176.084 175.510 -0.041 0.000 1.042 187 N CA 1.393 54.439 53.050 -0.008 0.000 0.845 187 N CB -0.247 38.240 38.487 0.001 0.000 1.024 187 N HN 0.832 nan 8.380 nan 0.000 0.424 188 D N 0.686 121.008 120.400 -0.130 0.000 2.517 188 D HA 0.388 5.032 4.640 0.006 0.000 0.220 188 D C -0.417 175.693 176.300 -0.317 0.000 1.158 188 D CA -0.169 53.622 54.000 -0.349 0.000 0.992 188 D CB -0.031 40.569 40.800 -0.333 0.000 1.058 188 D HN 0.171 nan 8.370 nan 0.000 0.516 189 S N -0.284 115.273 115.700 -0.238 0.000 2.651 189 S HA 0.797 5.270 4.470 0.006 0.000 0.291 189 S C 0.583 175.036 174.600 -0.246 0.000 1.141 189 S CA -0.105 57.948 58.200 -0.246 0.000 1.027 189 S CB 1.143 64.170 63.200 -0.289 0.000 1.043 189 S HN 0.978 nan 8.310 nan 0.000 0.530 190 R N 1.635 121.964 120.500 -0.286 0.000 2.500 190 R HA 0.664 5.008 4.340 0.006 0.000 0.277 190 R C -1.333 174.632 176.300 -0.558 0.000 1.026 190 R CA -0.217 55.741 56.100 -0.237 0.000 1.058 190 R CB -0.067 30.109 30.300 -0.206 0.000 1.078 190 R HN 0.765 nan 8.270 nan 0.000 0.509 191 Y N -0.445 119.564 120.300 -0.485 0.000 2.567 191 Y HA 0.742 5.295 4.550 0.006 0.000 0.333 191 Y C 0.611 176.018 175.900 -0.822 0.000 1.106 191 Y CA -0.358 57.332 58.100 -0.684 0.000 1.157 191 Y CB 2.594 40.527 38.460 -0.880 0.000 1.277 191 Y HN 0.945 nan 8.280 nan 0.000 0.490 192 A N 1.584 124.298 122.820 -0.177 0.000 2.498 192 A HA 0.835 5.159 4.320 0.006 0.000 0.298 192 A C -2.265 175.496 177.584 0.295 0.000 1.075 192 A CA -0.636 51.458 52.037 0.096 0.000 0.714 192 A CB 1.730 20.758 19.000 0.047 0.000 1.299 192 A HN 0.638 nan 8.150 nan 0.000 0.407 193 L N 1.188 122.631 121.223 0.367 0.000 2.472 193 L HA 0.777 5.120 4.340 0.006 0.000 0.260 193 L C -0.252 176.733 176.870 0.191 0.000 0.963 193 L CA 0.233 55.246 54.840 0.289 0.000 0.829 193 L CB 2.364 44.621 42.059 0.329 0.000 1.348 193 L HN 1.061 nan 8.230 nan 0.000 0.408 194 S N 2.038 117.828 115.700 0.149 0.000 2.634 194 S HA 0.966 5.440 4.470 0.006 0.000 0.296 194 S C -0.701 173.997 174.600 0.164 0.000 1.104 194 S CA -0.621 57.657 58.200 0.130 0.000 0.920 194 S CB 1.862 65.105 63.200 0.072 0.000 1.111 194 S HN 0.833 nan 8.310 nan 0.000 0.493 195 S N -0.313 115.526 115.700 0.231 0.000 2.565 195 S HA 0.719 5.193 4.470 0.006 0.000 0.269 195 S C -1.660 173.160 174.600 0.367 0.000 1.153 195 S CA -0.810 57.588 58.200 0.331 0.000 0.835 195 S CB 1.515 65.014 63.200 0.497 0.000 1.122 195 S HN 0.809 nan 8.310 nan 0.000 0.462 196 R N 0.791 121.399 120.500 0.179 0.000 2.807 196 R HA 0.789 5.132 4.340 0.006 0.000 0.276 196 R C -1.720 174.305 176.300 -0.457 0.000 0.979 196 R CA -0.663 55.390 56.100 -0.079 0.000 0.928 196 R CB 1.811 32.060 30.300 -0.085 0.000 1.191 196 R HN 0.446 nan 8.270 nan 0.000 0.471 197 L N 1.860 122.630 121.223 -0.754 0.000 2.446 197 L HA 0.531 4.875 4.340 0.006 0.000 0.268 197 L C -1.357 175.190 176.870 -0.538 0.000 0.975 197 L CA -0.380 53.923 54.840 -0.894 0.000 0.848 197 L CB 1.513 42.617 42.059 -1.592 0.000 1.225 197 L HN 0.521 nan 8.230 nan 0.000 0.410 198 R N 3.805 124.089 120.500 -0.360 0.000 2.393 198 R HA 0.886 5.230 4.340 0.006 0.000 0.310 198 R C -1.084 175.083 176.300 -0.221 0.000 0.968 198 R CA -0.370 55.575 56.100 -0.258 0.000 0.867 198 R CB 1.430 31.621 30.300 -0.182 0.000 1.124 198 R HN 0.562 nan 8.270 nan 0.000 0.450 199 V N 0.398 120.207 119.914 -0.176 0.000 3.167 199 V HA 0.691 4.814 4.120 0.006 0.000 0.310 199 V C -0.395 175.688 176.094 -0.018 0.000 1.207 199 V CA -0.958 61.266 62.300 -0.127 0.000 1.059 199 V CB 1.750 33.529 31.823 -0.073 0.000 1.079 199 V HN 0.882 nan 8.190 nan 0.000 0.446 200 S N 0.478 116.213 115.700 0.059 0.000 2.603 200 S HA 0.638 5.112 4.470 0.006 0.000 0.268 200 S C 1.279 176.002 174.600 0.205 0.000 1.317 200 S CA 0.031 58.297 58.200 0.110 0.000 1.012 200 S CB 1.212 64.487 63.200 0.124 0.000 0.926 200 S HN 1.838 nan 8.310 nan 0.000 0.539 201 A N 1.751 124.671 122.820 0.167 0.000 1.902 201 A HA -0.043 4.280 4.320 0.006 0.000 0.217 201 A C 2.266 180.008 177.584 0.264 0.000 1.181 201 A CA 2.110 54.280 52.037 0.222 0.000 0.623 201 A CB -1.922 17.170 19.000 0.154 0.000 0.818 201 A HN 0.870 nan 8.150 nan 0.000 0.443 202 T N -0.990 113.687 114.554 0.205 0.000 2.653 202 T HA -0.207 4.146 4.350 0.006 0.000 0.268 202 T C 1.578 176.413 174.700 0.224 0.000 1.035 202 T CA 1.903 64.109 62.100 0.178 0.000 1.154 202 T CB -0.406 68.555 68.868 0.154 0.000 0.862 202 T HN 0.476 nan 8.240 nan 0.000 0.441 203 F N 0.216 120.266 119.950 0.168 0.000 2.186 203 F HA 0.011 4.541 4.527 0.006 0.000 0.299 203 F C 2.181 178.192 175.800 0.351 0.000 1.090 203 F CA 1.026 59.159 58.000 0.222 0.000 1.307 203 F CB -0.183 38.954 39.000 0.228 0.000 1.019 203 F HN 0.345 nan 8.300 nan 0.000 0.489 204 W N 1.150 122.675 121.300 0.374 0.000 2.418 204 W HA -0.137 4.527 4.660 0.006 0.000 0.292 204 W C 1.338 177.975 176.519 0.197 0.000 1.213 204 W CA 1.064 58.575 57.345 0.276 0.000 1.283 204 W CB -0.426 29.073 29.460 0.066 0.000 1.119 204 W HN 0.092 nan 8.180 nan 0.000 0.542 205 Q N 0.208 119.995 119.800 -0.021 0.000 2.515 205 Q HA -0.083 4.261 4.340 0.006 0.000 0.212 205 Q C -0.290 175.623 176.000 -0.145 0.000 0.970 205 Q CA 0.435 56.145 55.803 -0.154 0.000 0.941 205 Q CB -0.163 28.585 28.738 0.017 0.000 0.998 205 Q HN -0.039 nan 8.270 nan 0.000 0.518 206 D N 0.362 120.680 120.400 -0.137 0.000 2.396 206 D HA 0.119 4.762 4.640 0.006 0.000 0.225 206 D C -1.954 174.257 176.300 -0.148 0.000 1.121 206 D CA -2.429 51.484 54.000 -0.145 0.000 0.853 206 D CB 1.517 42.195 40.800 -0.202 0.000 1.043 206 D HN -0.121 nan 8.370 nan 0.000 0.500 207 P HA -0.082 nan 4.420 nan 0.000 0.224 207 P C 1.003 178.314 177.300 0.019 0.000 1.142 207 P CA 0.807 63.881 63.100 -0.044 0.000 0.778 207 P CB 0.286 31.956 31.700 -0.049 0.000 0.764 208 R N -1.461 119.007 120.500 -0.052 0.000 2.189 208 R HA 0.037 4.381 4.340 0.006 0.000 0.218 208 R C 0.361 176.605 176.300 -0.092 0.000 1.074 208 R CA 0.469 56.539 56.100 -0.050 0.000 0.991 208 R CB -0.358 29.887 30.300 -0.091 0.000 0.883 208 R HN 0.281 nan 8.270 nan 0.000 0.457 209 N N 1.199 119.780 118.700 -0.198 0.000 2.455 209 N HA 0.017 4.760 4.740 0.006 0.000 0.280 209 N C -1.044 174.205 175.510 -0.436 0.000 1.055 209 N CA 0.110 52.921 53.050 -0.398 0.000 0.961 209 N CB 1.057 39.148 38.487 -0.660 0.000 1.121 209 N HN 0.206 nan 8.380 nan 0.000 0.476 210 H N 2.697 121.376 119.070 -0.650 0.000 2.505 210 H HA 0.348 4.907 4.556 0.006 0.000 0.338 210 H C -1.140 173.796 175.328 -0.653 0.000 1.057 210 H CA -0.547 55.089 56.048 -0.686 0.000 1.202 210 H CB 0.674 30.075 29.762 -0.602 0.000 1.466 210 H HN 0.294 nan 8.280 nan 0.000 0.499 211 F N 3.620 123.346 119.950 -0.373 0.000 2.469 211 F HA 0.472 5.002 4.527 0.006 0.000 0.332 211 F C 0.329 175.945 175.800 -0.306 0.000 1.103 211 F CA -0.874 57.067 58.000 -0.099 0.000 0.979 211 F CB 1.601 40.723 39.000 0.205 0.000 1.137 211 F HN 0.371 nan 8.300 nan 0.000 0.463 212 R N 2.062 122.606 120.500 0.074 0.000 2.515 212 R HA 0.529 4.872 4.340 0.006 0.000 0.291 212 R C -1.793 174.484 176.300 -0.038 0.000 1.046 212 R CA -0.477 55.576 56.100 -0.078 0.000 0.914 212 R CB 1.454 31.624 30.300 -0.216 0.000 1.191 212 R HN 0.934 nan 8.270 nan 0.000 0.435 213 c N 4.770 123.182 118.600 -0.314 0.000 2.325 213 c HA 0.386 4.959 4.570 0.006 0.000 0.347 213 c C -0.127 173.747 174.090 -0.360 0.000 1.263 213 c CA -0.156 55.753 56.329 -0.700 0.000 1.806 213 c CB 0.583 42.509 42.510 -0.973 0.000 2.405 213 c HN 0.897 nan 8.230 nan 0.000 0.537 214 Q N 4.532 124.187 119.800 -0.242 0.000 2.309 214 Q HA 0.734 5.077 4.340 0.006 0.000 0.264 214 Q C -1.746 174.182 176.000 -0.120 0.000 1.008 214 Q CA -0.537 55.176 55.803 -0.150 0.000 0.853 214 Q CB 1.904 30.586 28.738 -0.093 0.000 1.314 214 Q HN 0.677 nan 8.270 nan 0.000 0.448 215 V N 3.826 123.668 119.914 -0.121 0.000 2.525 215 V HA 0.245 4.369 4.120 0.006 0.000 0.299 215 V C -0.862 175.170 176.094 -0.104 0.000 1.034 215 V CA -0.699 61.531 62.300 -0.115 0.000 0.863 215 V CB 1.749 33.480 31.823 -0.155 0.000 0.999 215 V HN 0.837 nan 8.190 nan 0.000 0.423 216 Q N 3.889 123.637 119.800 -0.088 0.000 2.278 216 Q HA 0.538 4.881 4.340 0.006 0.000 0.257 216 Q C -1.363 174.515 176.000 -0.203 0.000 0.928 216 Q CA -0.426 55.285 55.803 -0.154 0.000 0.932 216 Q CB 1.357 29.988 28.738 -0.178 0.000 1.221 216 Q HN 0.646 nan 8.270 nan 0.000 0.434 217 F N 4.291 124.015 119.950 -0.376 0.000 2.421 217 F HA 0.444 4.974 4.527 0.005 0.000 0.337 217 F C -1.680 173.866 175.800 -0.424 0.000 1.105 217 F CA -0.690 57.112 58.000 -0.329 0.000 1.049 217 F CB 0.808 39.671 39.000 -0.228 0.000 1.139 217 F HN 0.524 nan 8.300 nan 0.000 0.479 218 Y N 4.974 124.569 120.300 -1.174 0.000 2.356 218 Y HA 0.590 5.143 4.550 0.006 0.000 0.334 218 Y C 0.543 175.739 175.900 -1.173 0.000 0.958 218 Y CA -0.217 57.381 58.100 -0.837 0.000 1.196 218 Y CB 1.386 39.521 38.460 -0.542 0.000 1.137 218 Y HN 0.784 nan 8.280 nan 0.000 0.485 219 G N 2.212 110.628 108.800 -0.640 0.000 3.340 219 G HA2 0.478 4.442 3.960 0.006 0.000 0.176 219 G HA3 0.478 4.442 3.960 0.006 0.000 0.176 219 G C -0.648 174.201 174.900 -0.084 0.000 1.103 219 G CA -0.957 43.955 45.100 -0.313 0.000 0.779 219 G HN 0.397 nan 8.290 nan 0.000 0.673 220 L N 1.395 122.598 121.223 -0.033 0.000 2.464 220 L HA 0.414 4.757 4.340 0.006 0.000 0.264 220 L C 1.114 177.962 176.870 -0.035 0.000 1.199 220 L CA -0.455 54.361 54.840 -0.041 0.000 0.818 220 L CB 1.083 43.090 42.059 -0.087 0.000 1.102 220 L HN 0.611 nan 8.230 nan 0.000 0.473 221 S N -0.386 115.306 115.700 -0.013 0.000 2.730 221 S HA 0.367 4.841 4.470 0.006 0.000 0.284 221 S C 0.795 175.390 174.600 -0.008 0.000 1.153 221 S CA -0.049 58.148 58.200 -0.006 0.000 0.995 221 S CB 1.476 64.682 63.200 0.009 0.000 1.058 221 S HN 0.655 nan 8.310 nan 0.000 0.552 222 E N -0.676 119.523 120.200 -0.003 0.000 2.515 222 E HA 0.036 4.390 4.350 0.006 0.000 0.201 222 E C 1.501 178.108 176.600 0.012 0.000 1.071 222 E CA 1.328 57.728 56.400 0.000 0.000 0.880 222 E CB -1.838 27.862 29.700 -0.000 0.000 0.828 222 E HN 0.923 nan 8.360 nan 0.000 0.540 223 N N 0.024 118.734 118.700 0.017 0.000 2.257 223 N HA 0.034 4.777 4.740 0.006 0.000 0.200 223 N C 0.729 176.262 175.510 0.038 0.000 1.163 223 N CA 0.180 53.245 53.050 0.024 0.000 0.891 223 N CB 0.183 38.681 38.487 0.018 0.000 1.067 223 N HN 0.325 nan 8.380 nan 0.000 0.497 224 D N 1.426 121.851 120.400 0.041 0.000 2.488 224 D HA 0.324 4.967 4.640 0.006 0.000 0.238 224 D C 0.329 176.694 176.300 0.108 0.000 1.138 224 D CA 0.477 54.517 54.000 0.067 0.000 0.873 224 D CB 0.865 41.703 40.800 0.063 0.000 1.183 224 D HN 0.687 nan 8.370 nan 0.000 0.458 225 E N 3.453 123.726 120.200 0.122 0.000 2.338 225 E HA 0.127 4.481 4.350 0.006 0.000 0.272 225 E C -0.698 176.066 176.600 0.274 0.000 1.029 225 E CA -0.473 56.014 56.400 0.146 0.000 0.872 225 E CB 1.138 30.889 29.700 0.084 0.000 1.015 225 E HN 0.537 nan 8.360 nan 0.000 0.417 226 W N 2.608 123.906 121.300 -0.003 0.000 2.822 226 W HA 0.493 5.156 4.660 0.005 0.000 0.317 226 W C -0.224 176.290 176.519 -0.008 0.000 1.033 226 W CA 0.162 57.502 57.345 -0.007 0.000 1.252 226 W CB 1.246 30.702 29.460 -0.006 0.000 1.186 226 W HN 0.854 nan 8.180 nan 0.000 0.383 227 T N 2.429 116.810 114.554 -0.287 0.000 3.264 227 T HA 0.312 4.666 4.350 0.006 0.000 0.257 227 T C 0.143 174.618 174.700 -0.375 0.000 0.976 227 T CA 0.310 62.270 62.100 -0.233 0.000 0.908 227 T CB 0.185 68.963 68.868 -0.150 0.000 1.082 227 T HN 0.333 nan 8.240 nan 0.000 0.567 228 Q N -0.210 119.164 119.800 -0.710 0.000 2.297 228 Q HA 0.527 4.871 4.340 0.006 0.000 0.268 228 Q C 1.330 177.249 176.000 -0.134 0.000 1.045 228 Q CA 0.322 55.803 55.803 -0.537 0.000 0.861 228 Q CB 1.238 29.462 28.738 -0.858 0.000 1.344 228 Q HN 0.368 nan 8.270 nan 0.000 0.452 229 D N 1.010 121.378 120.400 -0.053 0.000 2.264 229 D HA -0.081 4.563 4.640 0.006 0.000 0.208 229 D C 0.610 176.986 176.300 0.127 0.000 0.966 229 D CA 1.086 55.112 54.000 0.043 0.000 0.864 229 D CB -0.243 nan 40.800 nan 0.000 0.933 229 D HN 0.451 nan 8.370 nan 0.000 0.499 230 R N -1.073 119.549 120.500 0.204 0.000 2.546 230 R HA 0.651 4.994 4.340 0.006 0.000 0.266 230 R C 0.265 176.754 176.300 0.314 0.000 1.086 230 R CA -0.033 56.208 56.100 0.234 0.000 1.160 230 R CB 1.034 31.485 30.300 0.251 0.000 1.138 230 R HN 0.096 nan 8.270 nan 0.000 0.567 231 A N 1.787 124.704 122.820 0.162 0.000 2.488 231 A HA 0.082 4.406 4.320 0.006 0.000 0.249 231 A C -0.016 177.489 177.584 -0.131 0.000 1.083 231 A CA -0.260 51.811 52.037 0.056 0.000 0.768 231 A CB 0.080 19.079 19.000 -0.002 0.000 1.017 231 A HN 0.761 nan 8.150 nan 0.000 0.496 232 K N 3.019 123.191 120.400 -0.381 0.000 2.491 232 K HA 0.065 4.389 4.320 0.006 0.000 0.279 232 K C -2.048 174.140 176.600 -0.686 0.000 1.026 232 K CA -0.942 54.679 56.287 -1.110 0.000 1.070 232 K CB 0.352 32.428 32.500 -0.707 0.000 0.887 232 K HN 0.359 nan 8.250 nan 0.000 0.481 233 P HA -0.022 nan 4.420 nan 0.000 0.249 233 P C -0.381 176.872 177.300 -0.077 0.000 1.686 233 P CA -0.243 62.649 63.100 -0.346 0.000 0.873 233 P CB -0.347 31.157 31.700 -0.327 0.000 1.828 234 V N -2.944 116.893 119.914 -0.128 0.000 3.376 234 V HA 0.188 4.312 4.120 0.006 0.000 0.303 234 V C 0.602 176.741 176.094 0.075 0.000 1.100 234 V CA -0.257 62.018 62.300 -0.043 0.000 1.126 234 V CB -0.608 31.161 31.823 -0.091 0.000 1.085 234 V HN 0.066 nan 8.190 nan 0.000 0.480 235 T N 4.625 119.168 114.554 -0.017 0.000 2.871 235 T HA 0.382 4.736 4.350 0.006 0.000 0.296 235 T C 0.024 174.684 174.700 -0.068 0.000 0.998 235 T CA 0.357 62.395 62.100 -0.103 0.000 1.162 235 T CB -0.417 68.346 68.868 -0.175 0.000 0.947 235 T HN 1.030 nan 8.240 nan 0.000 0.536 236 Q N 2.093 121.868 119.800 -0.042 0.000 2.630 236 Q HA 0.636 4.980 4.340 0.006 0.000 0.295 236 Q C -1.665 174.287 176.000 -0.081 0.000 0.944 236 Q CA -1.100 54.669 55.803 -0.057 0.000 0.766 236 Q CB 1.358 30.084 28.738 -0.021 0.000 1.471 236 Q HN 0.491 nan 8.270 nan 0.000 0.416 237 I N 1.349 121.862 120.570 -0.094 0.000 2.404 237 I HA 0.507 4.681 4.170 0.006 0.000 0.293 237 I C -0.981 175.078 176.117 -0.097 0.000 0.992 237 I CA -1.250 59.986 61.300 -0.106 0.000 1.149 237 I CB 2.111 40.038 38.000 -0.121 0.000 1.315 237 I HN 0.373 nan 8.210 nan 0.000 0.446 238 V N 5.228 125.082 119.914 -0.099 0.000 2.407 238 V HA 0.454 4.577 4.120 0.006 0.000 0.291 238 V C -0.164 175.864 176.094 -0.109 0.000 1.018 238 V CA -0.363 61.879 62.300 -0.096 0.000 0.842 238 V CB 1.505 33.272 31.823 -0.093 0.000 0.996 238 V HN 0.818 nan 8.190 nan 0.000 0.426 239 S N 2.677 118.311 115.700 -0.110 0.000 2.726 239 S HA 0.994 5.467 4.470 0.006 0.000 0.308 239 S C -0.164 174.378 174.600 -0.097 0.000 1.115 239 S CA -0.506 57.617 58.200 -0.129 0.000 0.965 239 S CB 2.244 65.348 63.200 -0.160 0.000 1.145 239 S HN 1.185 nan 8.310 nan 0.000 0.532 240 A N 0.699 123.452 122.820 -0.111 0.000 2.587 240 A HA 0.823 5.146 4.320 0.006 0.000 0.293 240 A C -1.041 176.493 177.584 -0.084 0.000 1.087 240 A CA -0.809 51.186 52.037 -0.070 0.000 0.692 240 A CB 1.482 20.441 19.000 -0.068 0.000 1.291 240 A HN 0.889 nan 8.150 nan 0.000 0.407 241 E N -0.232 119.947 120.200 -0.034 0.000 2.460 241 E HA 0.835 5.188 4.350 0.006 0.000 0.277 241 E C -0.755 175.864 176.600 0.032 0.000 1.010 241 E CA -0.825 55.514 56.400 -0.101 0.000 0.838 241 E CB 1.922 31.460 29.700 -0.270 0.000 1.448 241 E HN 1.760 nan 8.360 nan 0.000 0.462 242 A N 0.158 122.976 122.820 -0.003 0.000 2.604 242 A HA 0.563 4.887 4.320 0.006 0.000 0.295 242 A C -2.025 175.761 177.584 0.337 0.000 1.067 242 A CA -0.783 51.447 52.037 0.323 0.000 0.683 242 A CB 1.376 20.648 19.000 0.455 0.000 1.281 242 A HN 0.533 nan 8.150 nan 0.000 0.407 243 W N 0.944 122.475 121.300 0.385 0.000 2.666 243 W HA 0.511 5.175 4.660 0.006 0.000 0.334 243 W C 0.670 177.160 176.519 -0.049 0.000 1.051 243 W CA -0.505 56.990 57.345 0.250 0.000 1.224 243 W CB 2.088 31.627 29.460 0.131 0.000 1.405 243 W HN 1.181 nan 8.180 nan 0.000 0.513 244 G N 3.709 112.588 108.800 0.132 0.000 2.195 244 G HA2 0.074 4.037 3.960 0.006 0.000 0.264 244 G HA3 0.074 4.037 3.960 0.006 0.000 0.264 244 G C 0.163 174.782 174.900 -0.469 0.000 1.148 244 G CA 0.029 44.906 45.100 -0.372 0.000 1.023 244 G HN 0.451 nan 8.290 nan 0.000 0.429 245 R N 1.729 121.689 120.500 -0.900 0.000 2.523 245 R HA 0.711 5.054 4.340 0.006 0.000 0.229 245 R C 0.100 176.211 176.300 -0.314 0.000 1.265 245 R CA -0.078 55.775 56.100 -0.413 0.000 1.081 245 R CB 0.927 31.111 30.300 -0.193 0.000 1.540 245 R HN 0.727 nan 8.270 nan 0.000 0.560 246 A N 1.954 124.704 122.820 -0.116 0.000 2.642 246 A HA 0.190 4.514 4.320 0.006 0.000 0.261 246 A C -1.612 175.979 177.584 0.012 0.000 1.335 246 A CA -0.773 51.238 52.037 -0.043 0.000 1.073 246 A CB -0.206 18.762 19.000 -0.054 0.000 1.369 246 A HN 0.676 nan 8.150 nan 0.000 0.706 247 D N 0.000 120.436 120.400 0.061 0.000 6.856 247 D HA 0.000 4.644 4.640 0.006 0.000 0.175 247 D CA 0.000 54.042 54.000 0.070 0.000 0.868 247 D CB 0.000 40.866 40.800 0.110 0.000 0.688 247 D HN 0.000 nan 8.370 nan 0.000 0.683