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 3nid_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc RCGPGW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.893 174.900 -0.011 0.000 0.946 1 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 2 P HA 0.217 nan 4.420 nan 0.000 0.258 2 P C -0.241 177.058 177.300 -0.002 0.000 1.214 2 P CA -0.077 63.020 63.100 -0.006 0.000 0.872 2 P CB 0.223 31.920 31.700 -0.004 0.000 0.890 3 N N 3.317 122.016 118.700 -0.002 0.000 2.366 3 N HA 0.038 4.778 4.740 0.000 0.000 0.277 3 N C 1.292 176.809 175.510 0.012 0.000 1.275 3 N CA -0.575 52.477 53.050 0.004 0.000 0.964 3 N CB 0.493 38.981 38.487 0.003 0.000 1.167 3 N HN 0.306 nan 8.380 nan 0.000 0.568 4 I N -2.804 117.777 120.570 0.018 0.000 2.493 4 I HA -0.131 4.039 4.170 0.000 0.000 0.254 4 I C 1.545 177.682 176.117 0.033 0.000 1.160 4 I CA 0.782 62.096 61.300 0.024 0.000 1.445 4 I CB -0.564 37.451 38.000 0.026 0.000 1.086 4 I HN 0.276 nan 8.210 nan 0.000 0.433 5 c N 1.983 120.605 118.600 0.037 0.000 2.446 5 c HA -0.114 4.456 4.570 0.000 0.000 0.277 5 c C 3.181 177.300 174.090 0.048 0.000 1.275 5 c CA 1.724 58.085 56.329 0.053 0.000 1.727 5 c CB -1.385 41.158 42.510 0.056 0.000 2.010 5 c HN 0.732 nan 8.230 nan 0.000 0.486 6 T N -0.666 113.904 114.554 0.026 0.000 2.894 6 T HA -0.114 4.236 4.350 0.000 0.000 0.258 6 T C 1.616 176.328 174.700 0.019 0.000 1.043 6 T CA 1.932 64.042 62.100 0.016 0.000 1.141 6 T CB -1.019 67.847 68.868 -0.003 0.000 0.873 6 T HN 0.609 nan 8.240 nan 0.000 0.449 7 T N -0.249 114.316 114.554 0.018 0.000 3.051 7 T HA 0.091 4.441 4.350 0.000 0.000 0.269 7 T C 2.064 176.776 174.700 0.021 0.000 1.127 7 T CA 0.105 62.214 62.100 0.016 0.000 1.107 7 T CB -0.325 68.550 68.868 0.012 0.000 0.898 7 T HN 0.113 nan 8.240 nan 0.000 0.517 8 R N 1.553 122.070 120.500 0.030 0.000 2.090 8 R HA 0.137 4.477 4.340 0.000 0.000 0.228 8 R C 1.834 178.155 176.300 0.036 0.000 1.110 8 R CA 0.976 57.096 56.100 0.033 0.000 0.973 8 R CB -1.204 29.120 30.300 0.041 0.000 0.869 8 R HN 0.669 nan 8.270 nan 0.000 0.440 9 G N 1.564 110.390 108.800 0.044 0.000 2.368 9 G HA2 -0.222 3.738 3.960 0.000 0.000 0.290 9 G HA3 -0.222 3.738 3.960 0.000 0.000 0.290 9 G C 0.180 175.118 174.900 0.064 0.000 1.098 9 G CA 0.334 45.462 45.100 0.047 0.000 1.073 9 G HN 0.303 nan 8.290 nan 0.000 0.511 10 V N -1.639 118.334 119.914 0.098 0.000 2.775 10 V HA 0.765 4.885 4.120 0.000 0.000 0.299 10 V C 1.156 177.334 176.094 0.140 0.000 1.062 10 V CA 0.712 63.080 62.300 0.114 0.000 1.063 10 V CB 1.578 33.493 31.823 0.153 0.000 0.994 10 V HN 0.512 nan 8.190 nan 0.000 0.483 11 S N 1.846 117.592 115.700 0.076 0.000 2.492 11 S HA 0.197 4.667 4.470 0.000 0.000 0.218 11 S C 0.766 175.377 174.600 0.018 0.000 1.016 11 S CA 0.419 58.657 58.200 0.063 0.000 0.916 11 S CB -0.078 63.134 63.200 0.020 0.000 0.791 11 S HN 1.279 nan 8.310 nan 0.000 0.513 12 S N -1.016 114.605 115.700 -0.131 0.000 2.638 12 S HA 0.353 4.823 4.470 0.000 0.000 0.274 12 S C 0.606 174.616 174.600 -0.984 0.000 1.157 12 S CA -0.495 57.434 58.200 -0.451 0.000 0.826 12 S CB 0.873 63.897 63.200 -0.293 0.000 1.139 12 S HN 0.129 nan 8.310 nan 0.000 0.474 13 c N 0.407 118.149 118.600 -1.430 0.000 2.435 13 c HA -0.004 4.566 4.570 0.000 0.000 0.279 13 c C 2.573 176.306 174.090 -0.595 0.000 1.321 13 c CA 1.693 57.103 56.329 -1.532 0.000 1.752 13 c CB -1.564 40.136 42.510 -1.349 0.000 1.959 13 c HN 0.977 nan 8.230 nan 0.000 0.500 14 Q N -0.349 119.206 119.800 -0.407 0.000 2.083 14 Q HA -0.186 4.154 4.340 0.000 0.000 0.198 14 Q C 2.299 178.213 176.000 -0.143 0.000 0.969 14 Q CA 1.505 57.181 55.803 -0.211 0.000 0.838 14 Q CB -0.154 28.486 28.738 -0.163 0.000 0.900 14 Q HN 0.743 nan 8.270 nan 0.000 0.436 15 Q N -0.546 119.164 119.800 -0.151 0.000 2.224 15 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 15 Q C 2.374 178.360 176.000 -0.024 0.000 0.970 15 Q CA 1.167 56.927 55.803 -0.073 0.000 0.865 15 Q CB -0.221 28.482 28.738 -0.058 0.000 0.922 15 Q HN 0.469 nan 8.270 nan 0.000 0.445 16 c N 0.554 119.138 118.600 -0.028 0.000 2.432 16 c HA -0.104 4.466 4.570 0.000 0.000 0.277 16 c C 2.383 176.527 174.090 0.091 0.000 1.249 16 c CA 0.645 57.036 56.329 0.104 0.000 1.725 16 c CB -0.916 41.759 42.510 0.275 0.000 2.028 16 c HN 0.495 nan 8.230 nan 0.000 0.477 17 L N 1.276 122.527 121.223 0.047 0.000 2.141 17 L HA -0.017 4.323 4.340 0.000 0.000 0.209 17 L C 2.877 179.770 176.870 0.038 0.000 1.094 17 L CA 1.480 56.354 54.840 0.057 0.000 0.763 17 L CB -0.771 41.301 42.059 0.023 0.000 0.908 17 L HN 0.432 nan 8.230 nan 0.000 0.437 18 A N -0.526 122.302 122.820 0.014 0.000 2.235 18 A HA 0.031 4.351 4.320 0.000 0.000 0.208 18 A C 2.187 179.782 177.584 0.019 0.000 1.172 18 A CA 0.558 52.599 52.037 0.007 0.000 0.786 18 A CB -0.405 18.587 19.000 -0.012 0.000 0.804 18 A HN 0.201 nan 8.150 nan 0.000 0.479 19 V N -1.040 118.895 119.914 0.036 0.000 2.346 19 V HA 0.033 4.153 4.120 0.000 0.000 0.244 19 V C 1.211 177.330 176.094 0.042 0.000 1.037 19 V CA 1.738 64.062 62.300 0.040 0.000 1.029 19 V CB -0.250 31.605 31.823 0.054 0.000 0.663 19 V HN 0.548 nan 8.190 nan 0.000 0.454 20 S N -2.208 113.527 115.700 0.058 0.000 2.552 20 S HA 0.419 4.889 4.470 0.000 0.000 0.272 20 S C -2.633 172.016 174.600 0.081 0.000 1.150 20 S CA -0.711 57.525 58.200 0.061 0.000 0.849 20 S CB 1.901 65.139 63.200 0.063 0.000 1.113 20 S HN 0.019 nan 8.310 nan 0.000 0.458 21 P HA 0.018 nan 4.420 nan 0.000 0.228 21 P C 1.128 178.524 177.300 0.160 0.000 1.151 21 P CA 0.847 63.989 63.100 0.070 0.000 0.770 21 P CB -0.155 31.569 31.700 0.039 0.000 0.786 22 M N -3.980 115.741 119.600 0.200 0.000 2.495 22 M HA 0.192 4.672 4.480 0.000 0.000 0.237 22 M C -0.177 176.302 176.300 0.299 0.000 1.131 22 M CA 0.284 55.766 55.300 0.302 0.000 1.032 22 M CB -0.689 32.006 32.600 0.160 0.000 1.513 22 M HN -0.272 nan 8.290 nan 0.000 0.488 23 c N 2.896 121.657 118.600 0.267 0.000 2.527 23 c HA 0.820 5.390 4.570 0.000 0.000 0.396 23 c C 0.949 175.244 174.090 0.341 0.000 1.289 23 c CA -0.631 55.827 56.329 0.216 0.000 2.047 23 c CB 0.329 42.940 42.510 0.168 0.000 2.568 23 c HN 0.627 nan 8.230 nan 0.000 0.573 24 A N 3.474 126.426 122.820 0.219 0.000 2.386 24 A HA 0.907 5.227 4.320 0.000 0.000 0.308 24 A C -1.293 176.447 177.584 0.260 0.000 1.128 24 A CA -0.444 51.755 52.037 0.271 0.000 0.789 24 A CB 1.326 20.349 19.000 0.037 0.000 1.325 24 A HN 0.968 nan 8.150 nan 0.000 0.437 25 W N 0.879 122.219 121.300 0.067 0.000 2.883 25 W HA 0.524 5.184 4.660 0.000 0.000 0.335 25 W C -1.605 174.925 176.519 0.019 0.000 1.083 25 W CA -0.858 56.505 57.345 0.030 0.000 1.233 25 W CB 1.683 31.159 29.460 0.027 0.000 1.412 25 W HN 0.853 nan 8.180 nan 0.000 0.490 26 c N 4.375 122.668 118.600 -0.511 0.000 2.281 26 c HA 0.508 5.078 4.570 0.000 0.000 0.325 26 c C 0.936 174.821 174.090 -0.342 0.000 1.282 26 c CA -0.114 56.025 56.329 -0.316 0.000 1.640 26 c CB 0.513 42.849 42.510 -0.291 0.000 2.288 26 c HN 0.595 nan 8.230 nan 0.000 0.507 27 S N 2.992 118.702 115.700 0.017 0.000 2.577 27 S HA 0.058 4.528 4.470 0.000 0.000 0.219 27 S C 0.034 174.675 174.600 0.069 0.000 0.962 27 S CA -0.195 58.085 58.200 0.133 0.000 0.921 27 S CB -0.406 62.921 63.200 0.211 0.000 0.789 27 S HN 0.951 nan 8.310 nan 0.000 0.497 28 D N 2.153 122.557 120.400 0.007 0.000 2.493 28 D HA 0.005 4.645 4.640 0.000 0.000 0.240 28 D C 1.255 177.584 176.300 0.048 0.000 1.142 28 D CA 0.277 54.290 54.000 0.021 0.000 0.872 28 D CB 0.654 41.445 40.800 -0.014 0.000 1.173 28 D HN -0.026 nan 8.370 nan 0.000 0.467 29 E N 2.465 122.714 120.200 0.082 0.000 2.031 29 E HA -0.145 4.205 4.350 0.000 0.000 0.193 29 E C 0.502 177.144 176.600 0.069 0.000 0.994 29 E CA 0.986 57.454 56.400 0.112 0.000 0.800 29 E CB -0.236 29.524 29.700 0.099 0.000 0.752 29 E HN 0.492 nan 8.360 nan 0.000 0.447 30 A N 1.760 124.602 122.820 0.036 0.000 3.094 30 A HA 0.310 4.630 4.320 0.000 0.000 0.288 30 A C -0.280 177.302 177.584 -0.002 0.000 1.519 30 A CA -0.284 51.764 52.037 0.018 0.000 1.227 30 A CB -0.442 18.565 19.000 0.013 0.000 1.175 30 A HN 0.054 nan 8.150 nan 0.000 0.568 31 L N 2.160 123.376 121.223 -0.012 0.000 2.307 31 L HA 0.600 4.940 4.340 0.000 0.000 0.282 31 L C -2.069 174.781 176.870 -0.033 0.000 1.051 31 L CA -1.581 53.236 54.840 -0.039 0.000 0.804 31 L CB 0.660 42.674 42.059 -0.076 0.000 1.197 31 L HN 0.314 nan 8.230 nan 0.000 0.431 32 P HA 0.032 nan 4.420 nan 0.000 0.270 32 P C 1.060 178.342 177.300 -0.030 0.000 1.216 32 P CA -0.177 62.905 63.100 -0.030 0.000 0.788 32 P CB 0.479 32.159 31.700 -0.034 0.000 0.883 33 L N 0.505 121.716 121.223 -0.021 0.000 1.957 33 L HA -0.211 4.129 4.340 0.000 0.000 0.228 33 L C 1.848 178.704 176.870 -0.023 0.000 1.086 33 L CA 2.268 57.098 54.840 -0.018 0.000 0.796 33 L CB -1.289 40.762 42.059 -0.014 0.000 0.900 33 L HN 0.608 nan 8.230 nan 0.000 0.439 34 G N -1.260 107.524 108.800 -0.026 0.000 4.098 34 G HA2 0.265 4.225 3.960 0.000 0.000 0.300 34 G HA3 0.265 4.225 3.960 0.000 0.000 0.300 34 G C -0.177 174.699 174.900 -0.040 0.000 1.187 34 G CA -0.215 44.868 45.100 -0.029 0.000 0.964 34 G HN 0.131 nan 8.290 nan 0.000 0.559 35 S N 2.087 117.755 115.700 -0.054 0.000 2.545 35 S HA 0.452 4.922 4.470 0.000 0.000 0.275 35 S C -1.984 172.557 174.600 -0.098 0.000 1.299 35 S CA -0.680 57.477 58.200 -0.071 0.000 1.048 35 S CB 1.534 64.687 63.200 -0.078 0.000 0.938 35 S HN 0.300 nan 8.310 nan 0.000 0.496 36 P HA 0.255 nan 4.420 nan 0.000 0.276 36 P C -0.035 177.143 177.300 -0.203 0.000 1.243 36 P CA -0.293 62.739 63.100 -0.114 0.000 0.768 36 P CB 0.661 32.318 31.700 -0.072 0.000 0.856 37 R N 1.336 121.642 120.500 -0.325 0.000 2.193 37 R HA 0.056 4.396 4.340 0.000 0.000 0.213 37 R C 0.608 176.543 176.300 -0.609 0.000 1.055 37 R CA 0.489 56.185 56.100 -0.673 0.000 0.995 37 R CB -0.045 29.537 30.300 -1.197 0.000 0.893 37 R HN 0.439 nan 8.270 nan 0.000 0.459 38 c N 1.801 120.271 118.600 -0.216 0.000 2.258 38 c HA 0.407 4.977 4.570 0.000 0.000 0.321 38 c C -0.926 173.169 174.090 0.009 0.000 1.168 38 c CA -0.620 55.735 56.329 0.044 0.000 1.531 38 c CB -0.363 42.303 42.510 0.258 0.000 2.095 38 c HN 0.289 nan 8.230 nan 0.000 0.449 39 D N 2.672 123.065 120.400 -0.011 0.000 2.677 39 D HA 0.404 5.044 4.640 0.000 0.000 0.298 39 D C -0.750 175.526 176.300 -0.041 0.000 1.250 39 D CA -0.399 53.585 54.000 -0.028 0.000 0.888 39 D CB 1.424 42.187 40.800 -0.062 0.000 1.397 39 D HN 0.500 nan 8.370 nan 0.000 0.461 40 L N 1.767 122.954 121.223 -0.060 0.000 2.506 40 L HA 0.082 4.422 4.340 0.000 0.000 0.281 40 L C 2.024 178.783 176.870 -0.186 0.000 1.228 40 L CA 0.185 54.956 54.840 -0.115 0.000 0.850 40 L CB 0.415 42.420 42.059 -0.090 0.000 1.110 40 L HN 0.518 nan 8.230 nan 0.000 0.496 41 K N 1.544 121.736 120.400 -0.347 0.000 2.152 41 K HA -0.204 4.116 4.320 0.000 0.000 0.206 41 K C 1.545 178.020 176.600 -0.209 0.000 1.048 41 K CA 1.700 57.769 56.287 -0.364 0.000 0.933 41 K CB 0.206 32.311 32.500 -0.659 0.000 0.721 41 K HN 0.595 nan 8.250 nan 0.000 0.447 42 E N 0.463 120.560 120.200 -0.172 0.000 2.051 42 E HA -0.157 4.193 4.350 0.000 0.000 0.192 42 E C 1.707 178.255 176.600 -0.087 0.000 0.991 42 E CA 1.492 57.828 56.400 -0.107 0.000 0.799 42 E CB -0.075 29.576 29.700 -0.082 0.000 0.748 42 E HN 0.329 nan 8.360 nan 0.000 0.449 43 N N 0.032 118.678 118.700 -0.089 0.000 2.244 43 N HA -0.065 4.675 4.740 0.000 0.000 0.183 43 N C 1.673 177.136 175.510 -0.078 0.000 1.016 43 N CA 0.735 53.741 53.050 -0.073 0.000 0.866 43 N CB -0.082 38.365 38.487 -0.067 0.000 0.980 43 N HN 0.157 nan 8.380 nan 0.000 0.430 44 L N 0.144 121.311 121.223 -0.094 0.000 2.044 44 L HA -0.022 4.318 4.340 0.000 0.000 0.205 44 L C 2.085 178.909 176.870 -0.077 0.000 1.075 44 L CA 0.706 55.489 54.840 -0.095 0.000 0.747 44 L CB -0.460 41.535 42.059 -0.107 0.000 0.903 44 L HN 0.103 nan 8.230 nan 0.000 0.435 45 L N 0.045 121.225 121.223 -0.072 0.000 2.046 45 L HA -0.239 4.101 4.340 0.000 0.000 0.208 45 L C 2.675 179.518 176.870 -0.046 0.000 1.077 45 L CA 1.397 56.205 54.840 -0.053 0.000 0.747 45 L CB -0.459 41.569 42.059 -0.052 0.000 0.896 45 L HN 0.250 nan 8.230 nan 0.000 0.432 46 K N 0.004 120.374 120.400 -0.049 0.000 2.209 46 K HA -0.162 4.158 4.320 0.000 0.000 0.204 46 K C 0.442 177.018 176.600 -0.040 0.000 1.048 46 K CA 1.291 57.554 56.287 -0.041 0.000 0.940 46 K CB 0.112 32.588 32.500 -0.041 0.000 0.729 46 K HN 0.236 nan 8.250 nan 0.000 0.451 47 D N 0.844 121.215 120.400 -0.048 0.000 2.434 47 D HA 0.044 4.684 4.640 0.000 0.000 0.232 47 D C -0.630 175.643 176.300 -0.046 0.000 1.166 47 D CA 0.082 54.053 54.000 -0.048 0.000 0.830 47 D CB 0.143 40.907 40.800 -0.060 0.000 0.960 47 D HN 0.175 nan 8.370 nan 0.000 0.497 48 N N -0.654 118.023 118.700 -0.039 0.000 2.776 48 N HA -0.202 4.538 4.740 0.000 0.000 0.250 48 N C -0.306 175.184 175.510 -0.033 0.000 1.112 48 N CA 0.313 53.345 53.050 -0.031 0.000 0.733 48 N CB -2.256 36.216 38.487 -0.026 0.000 1.097 48 N HN 0.368 nan 8.380 nan 0.000 0.558 49 c N 1.129 119.703 118.600 -0.044 0.000 2.629 49 c HA 0.595 5.165 4.570 0.000 0.000 0.410 49 c C 1.433 175.508 174.090 -0.025 0.000 1.339 49 c CA -0.298 56.005 56.329 -0.044 0.000 1.810 49 c CB -1.152 41.318 42.510 -0.066 0.000 2.549 49 c HN 0.538 nan 8.230 nan 0.000 0.589 50 A N 8.357 131.170 122.820 -0.012 0.000 2.546 50 A HA 0.302 4.622 4.320 0.000 0.000 0.243 50 A C -0.987 176.602 177.584 0.008 0.000 1.063 50 A CA -0.565 51.473 52.037 0.001 0.000 0.757 50 A CB -0.145 18.862 19.000 0.011 0.000 0.991 50 A HN 0.817 nan 8.150 nan 0.000 0.503 51 P HA -0.201 nan 4.420 nan 0.000 0.218 51 P C 0.692 178.009 177.300 0.029 0.000 1.150 51 P CA 1.769 64.878 63.100 0.015 0.000 0.841 51 P CB 0.182 31.890 31.700 0.014 0.000 0.784 52 E N -1.595 118.624 120.200 0.032 0.000 2.435 52 E HA 0.022 4.372 4.350 0.000 0.000 0.195 52 E C 1.495 178.128 176.600 0.055 0.000 1.029 52 E CA 0.588 57.013 56.400 0.042 0.000 0.865 52 E CB -0.430 29.293 29.700 0.038 0.000 0.833 52 E HN 0.172 nan 8.360 nan 0.000 0.510 53 S N 0.169 115.900 115.700 0.052 0.000 2.556 53 S HA 0.172 4.642 4.470 0.000 0.000 0.216 53 S C 0.366 175.017 174.600 0.085 0.000 0.970 53 S CA -0.223 58.017 58.200 0.067 0.000 0.912 53 S CB 0.118 63.346 63.200 0.047 0.000 0.790 53 S HN 0.085 nan 8.310 nan 0.000 0.504 54 I N 3.245 123.862 120.570 0.078 0.000 2.347 54 I HA 0.114 4.284 4.170 0.000 0.000 0.294 54 I C 0.116 176.331 176.117 0.163 0.000 1.090 54 I CA 0.017 61.377 61.300 0.100 0.000 1.314 54 I CB 0.353 38.390 38.000 0.063 0.000 1.423 54 I HN -0.071 nan 8.210 nan 0.000 0.503 55 E N 6.747 127.079 120.200 0.219 0.000 2.105 55 E HA 0.206 4.556 4.350 0.000 0.000 0.285 55 E C -0.965 175.820 176.600 0.309 0.000 1.055 55 E CA -0.132 56.403 56.400 0.225 0.000 0.843 55 E CB 1.079 30.909 29.700 0.217 0.000 1.067 55 E HN 0.372 nan 8.360 nan 0.000 0.398 56 F N 4.913 124.903 119.950 0.068 0.000 3.167 56 F HA 0.282 4.809 4.527 0.000 0.000 0.389 56 F C -2.598 173.226 175.800 0.039 0.000 1.233 56 F CA -2.269 55.764 58.000 0.056 0.000 1.238 56 F CB 0.980 40.009 39.000 0.049 0.000 1.971 56 F HN 0.133 nan 8.300 nan 0.000 0.651 57 P HA 0.322 nan 4.420 nan 0.000 0.271 57 P C -1.021 175.963 177.300 -0.526 0.000 1.216 57 P CA -0.130 62.798 63.100 -0.287 0.000 0.776 57 P CB 1.309 32.917 31.700 -0.154 0.000 0.881 58 V N 2.428 122.128 119.914 -0.356 0.000 2.459 58 V HA 0.227 4.347 4.120 0.000 0.000 0.295 58 V C 0.292 176.290 176.094 -0.160 0.000 1.029 58 V CA -0.562 61.556 62.300 -0.303 0.000 0.874 58 V CB 1.742 33.447 31.823 -0.196 0.000 0.985 58 V HN 0.504 nan 8.190 nan 0.000 0.438 59 S N 4.452 120.078 115.700 -0.123 0.000 2.531 59 S HA 0.375 4.845 4.470 0.000 0.000 0.279 59 S C -0.038 174.531 174.600 -0.051 0.000 1.305 59 S CA -0.396 57.762 58.200 -0.071 0.000 1.058 59 S CB 0.181 63.358 63.200 -0.039 0.000 0.899 59 S HN 0.936 nan 8.310 nan 0.000 0.493 60 E N 0.755 120.923 120.200 -0.052 0.000 2.429 60 E HA 0.783 5.133 4.350 0.000 0.000 0.276 60 E C -1.543 175.025 176.600 -0.053 0.000 0.953 60 E CA -1.490 54.885 56.400 -0.042 0.000 0.787 60 E CB 1.735 31.407 29.700 -0.047 0.000 1.307 60 E HN 0.480 nan 8.360 nan 0.000 0.458 61 A N 1.851 124.646 122.820 -0.041 0.000 2.457 61 A HA 0.531 4.851 4.320 0.000 0.000 0.283 61 A C -0.830 176.718 177.584 -0.060 0.000 1.166 61 A CA -0.877 51.117 52.037 -0.072 0.000 0.740 61 A CB 0.651 19.634 19.000 -0.028 0.000 1.181 61 A HN 0.649 nan 8.150 nan 0.000 0.446 62 R N 1.233 121.682 120.500 -0.085 0.000 2.514 62 R HA 0.729 5.069 4.340 0.000 0.000 0.301 62 R C -0.438 175.814 176.300 -0.080 0.000 0.962 62 R CA -0.611 55.450 56.100 -0.064 0.000 0.882 62 R CB 1.552 31.819 30.300 -0.055 0.000 1.143 62 R HN 0.712 nan 8.270 nan 0.000 0.452 63 V N 2.624 122.506 119.914 -0.054 0.000 2.555 63 V HA 0.183 4.303 4.120 0.000 0.000 0.286 63 V C 0.710 176.772 176.094 -0.054 0.000 1.044 63 V CA -0.305 61.962 62.300 -0.055 0.000 1.026 63 V CB 0.719 32.526 31.823 -0.026 0.000 0.981 63 V HN 0.919 nan 8.190 nan 0.000 0.480 64 L N 2.144 123.328 121.223 -0.064 0.000 2.388 64 L HA 0.443 4.783 4.340 0.000 0.000 0.209 64 L C 0.991 177.837 176.870 -0.040 0.000 1.061 64 L CA 0.539 55.346 54.840 -0.055 0.000 0.834 64 L CB 0.147 42.164 42.059 -0.070 0.000 1.029 64 L HN 0.743 nan 8.230 nan 0.000 0.473 65 E N 0.036 120.213 120.200 -0.039 0.000 2.246 65 E HA 0.239 4.589 4.350 0.000 0.000 0.266 65 E C -1.195 175.397 176.600 -0.014 0.000 0.880 65 E CA -0.192 56.194 56.400 -0.024 0.000 0.762 65 E CB 2.260 31.946 29.700 -0.023 0.000 1.180 65 E HN -0.123 nan 8.360 nan 0.000 0.416 66 D N 2.560 122.958 120.400 -0.004 0.000 3.060 66 D HA 0.111 4.751 4.640 0.000 0.000 0.326 66 D C -0.808 175.498 176.300 0.010 0.000 1.253 66 D CA -0.354 53.648 54.000 0.005 0.000 0.737 66 D CB 0.262 41.064 40.800 0.003 0.000 1.260 66 D HN 0.224 nan 8.370 nan 0.000 0.542 67 R N 1.382 121.889 120.500 0.013 0.000 2.640 67 R HA 0.237 4.577 4.340 0.000 0.000 0.270 67 R C -1.963 174.350 176.300 0.022 0.000 1.024 67 R CA -0.778 55.332 56.100 0.017 0.000 1.085 67 R CB 0.203 30.515 30.300 0.021 0.000 0.963 67 R HN 0.234 nan 8.270 nan 0.000 0.426 68 P HA 0.028 nan 4.420 nan 0.000 0.274 68 P C -0.411 176.907 177.300 0.030 0.000 1.231 68 P CA -0.190 62.925 63.100 0.024 0.000 0.790 68 P CB 0.587 32.299 31.700 0.020 0.000 0.951 69 L N 1.276 122.518 121.223 0.033 0.000 2.490 69 L HA 0.037 4.377 4.340 0.000 0.000 0.274 69 L C 1.130 178.023 176.870 0.038 0.000 1.201 69 L CA 0.256 55.120 54.840 0.040 0.000 0.869 69 L CB -0.242 41.840 42.059 0.039 0.000 1.123 69 L HN 0.381 nan 8.230 nan 0.000 0.484 70 S N 1.490 117.217 115.700 0.045 0.000 2.564 70 S HA 0.021 4.491 4.470 0.000 0.000 0.278 70 S C 0.478 175.104 174.600 0.043 0.000 1.333 70 S CA -0.727 57.500 58.200 0.046 0.000 1.048 70 S CB 0.979 64.214 63.200 0.059 0.000 0.900 70 S HN 0.553 nan 8.310 nan 0.000 0.505 71 D N 1.103 121.526 120.400 0.038 0.000 2.249 71 D HA 0.089 4.729 4.640 0.000 0.000 0.205 71 D C 0.173 176.499 176.300 0.042 0.000 0.962 71 D CA 1.049 55.069 54.000 0.035 0.000 0.860 71 D CB 0.295 41.111 40.800 0.028 0.000 0.955 71 D HN 0.236 nan 8.370 nan 0.000 0.505 72 K N -0.276 120.154 120.400 0.050 0.000 2.422 72 K HA 0.465 4.785 4.320 0.000 0.000 0.251 72 K C 0.720 177.371 176.600 0.084 0.000 0.933 72 K CA -0.586 55.736 56.287 0.060 0.000 0.798 72 K CB 2.295 34.821 32.500 0.043 0.000 1.238 72 K HN -0.071 nan 8.250 nan 0.000 0.428 73 G N 0.612 109.485 108.800 0.122 0.000 2.880 73 G HA2 -0.090 3.870 3.960 0.000 0.000 0.209 73 G HA3 -0.090 3.870 3.960 0.000 0.000 0.209 73 G C 0.710 175.647 174.900 0.062 0.000 1.157 73 G CA 0.256 45.470 45.100 0.190 0.000 0.779 73 G HN 0.468 nan 8.290 nan 0.000 0.539 74 S N -0.501 115.219 115.700 0.034 0.000 2.634 74 S HA 0.540 5.010 4.470 0.000 0.000 0.261 74 S C 0.641 175.244 174.600 0.004 0.000 1.271 74 S CA 0.733 58.932 58.200 -0.002 0.000 0.985 74 S CB 0.280 63.482 63.200 0.003 0.000 0.968 74 S HN 1.659 nan 8.310 nan 0.000 0.568 75 G N 1.977 110.773 108.800 -0.007 0.000 2.722 75 G HA2 0.121 4.081 3.960 0.000 0.000 0.686 75 G HA3 0.121 4.081 3.960 0.000 0.000 0.686 75 G C -0.642 174.257 174.900 -0.002 0.000 1.282 75 G CA -0.153 44.947 45.100 -0.001 0.000 0.817 75 G HN 1.226 nan 8.290 nan 0.000 0.605 76 D N -1.209 119.191 120.400 -0.001 0.000 4.556 76 D HA 0.021 4.661 4.640 0.000 0.000 0.303 76 D C 0.626 176.921 176.300 -0.009 0.000 2.368 76 D CA 1.708 55.708 54.000 0.000 0.000 1.145 76 D CB -1.040 39.766 40.800 0.009 0.000 1.097 76 D HN 1.589 nan 8.370 nan 0.000 1.280 77 S N -0.382 115.315 115.700 -0.005 0.000 2.708 77 S HA 0.479 4.949 4.470 0.000 0.000 0.141 77 S C -1.565 173.035 174.600 0.001 0.000 1.349 77 S CA 0.404 58.598 58.200 -0.011 0.000 1.206 77 S CB 0.029 63.224 63.200 -0.009 0.000 1.603 77 S HN 0.605 nan 8.310 nan 0.000 0.415 78 S N 1.659 117.364 115.700 0.008 0.000 2.572 78 S HA 0.483 4.953 4.470 0.000 0.000 0.274 78 S C -0.808 173.811 174.600 0.032 0.000 1.150 78 S CA -0.311 57.893 58.200 0.007 0.000 0.944 78 S CB 1.942 65.131 63.200 -0.018 0.000 1.071 78 S HN 0.602 nan 8.310 nan 0.000 0.479 79 Q N 3.753 123.574 119.800 0.035 0.000 2.233 79 Q HA 0.375 4.715 4.340 0.000 0.000 0.340 79 Q C -0.967 175.066 176.000 0.055 0.000 0.899 79 Q CA -0.192 55.636 55.803 0.042 0.000 1.139 79 Q CB 0.618 29.373 28.738 0.029 0.000 1.273 79 Q HN 0.582 nan 8.270 nan 0.000 0.431 80 V N 0.611 120.574 119.914 0.082 0.000 2.732 80 V HA 0.293 4.413 4.120 0.000 0.000 0.297 80 V C 0.347 176.495 176.094 0.091 0.000 1.060 80 V CA 0.106 62.468 62.300 0.102 0.000 1.038 80 V CB 1.734 33.664 31.823 0.179 0.000 1.003 80 V HN 0.264 nan 8.190 nan 0.000 0.481 81 T N 4.256 118.855 114.554 0.076 0.000 2.809 81 T HA 0.393 4.743 4.350 0.000 0.000 0.284 81 T C 0.353 175.096 174.700 0.071 0.000 0.992 81 T CA -0.466 61.675 62.100 0.068 0.000 0.957 81 T CB 1.299 70.199 68.868 0.054 0.000 0.942 81 T HN 0.834 nan 8.240 nan 0.000 0.439 82 Q N 1.410 121.264 119.800 0.090 0.000 2.179 82 Q HA 0.390 4.730 4.340 0.000 0.000 0.244 82 Q C -0.146 175.945 176.000 0.151 0.000 0.808 82 Q CA -0.201 55.679 55.803 0.128 0.000 0.955 82 Q CB 0.908 29.731 28.738 0.141 0.000 1.141 82 Q HN 0.350 nan 8.270 nan 0.000 0.485 83 V N 1.126 121.107 119.914 0.111 0.000 2.525 83 V HA 0.547 4.667 4.120 0.000 0.000 0.299 83 V C -1.070 175.062 176.094 0.062 0.000 1.034 83 V CA -0.561 61.786 62.300 0.078 0.000 0.863 83 V CB 1.823 33.683 31.823 0.062 0.000 0.999 83 V HN 0.185 nan 8.190 nan 0.000 0.423 84 S N 6.560 122.296 115.700 0.060 0.000 2.547 84 S HA 0.743 5.213 4.470 0.000 0.000 0.281 84 S C -2.835 171.803 174.600 0.062 0.000 1.118 84 S CA -1.349 56.882 58.200 0.051 0.000 0.947 84 S CB 2.558 65.784 63.200 0.043 0.000 1.053 84 S HN 0.544 nan 8.310 nan 0.000 0.482 85 P HA 0.206 nan 4.420 nan 0.000 0.274 85 P C -0.223 177.091 177.300 0.023 0.000 1.256 85 P CA -0.134 62.985 63.100 0.031 0.000 0.795 85 P CB 0.476 32.187 31.700 0.018 0.000 1.038 86 Q N -0.145 119.658 119.800 0.004 0.000 2.350 86 Q HA 0.170 4.510 4.340 0.000 0.000 0.225 86 Q C 0.457 176.434 176.000 -0.039 0.000 0.878 86 Q CA 0.622 56.422 55.803 -0.005 0.000 0.935 86 Q CB 1.049 29.791 28.738 0.006 0.000 1.099 86 Q HN 0.447 nan 8.270 nan 0.000 0.527 87 R N 0.915 121.381 120.500 -0.057 0.000 2.522 87 R HA 0.585 4.925 4.340 0.000 0.000 0.283 87 R C -1.422 174.805 176.300 -0.122 0.000 1.074 87 R CA -0.413 55.627 56.100 -0.100 0.000 0.925 87 R CB 1.385 31.635 30.300 -0.084 0.000 1.205 87 R HN 0.268 nan 8.270 nan 0.000 0.436 88 I N 0.188 120.643 120.570 -0.193 0.000 2.934 88 I HA 0.853 5.023 4.170 0.000 0.000 0.306 88 I C -1.172 174.788 176.117 -0.262 0.000 1.110 88 I CA -1.135 60.034 61.300 -0.218 0.000 1.019 88 I CB 2.579 40.417 38.000 -0.269 0.000 1.227 88 I HN 0.633 nan 8.210 nan 0.000 0.434 89 A N 4.930 127.617 122.820 -0.222 0.000 2.287 89 A HA 0.777 5.097 4.320 0.000 0.000 0.317 89 A C -1.081 176.366 177.584 -0.228 0.000 1.220 89 A CA -0.433 51.476 52.037 -0.214 0.000 0.835 89 A CB 0.853 19.763 19.000 -0.151 0.000 1.180 89 A HN 0.591 nan 8.150 nan 0.000 0.500 90 L N 2.092 123.157 121.223 -0.262 0.000 2.295 90 L HA 0.582 4.922 4.340 0.000 0.000 0.285 90 L C 0.556 177.298 176.870 -0.213 0.000 1.035 90 L CA 0.058 54.759 54.840 -0.232 0.000 0.806 90 L CB 1.523 43.435 42.059 -0.245 0.000 1.214 90 L HN 0.794 nan 8.230 nan 0.000 0.426 91 R N 3.672 124.075 120.500 -0.162 0.000 2.445 91 R HA 0.781 5.121 4.340 0.000 0.000 0.308 91 R C -1.705 174.525 176.300 -0.117 0.000 0.961 91 R CA -0.527 55.482 56.100 -0.152 0.000 0.862 91 R CB 0.896 31.130 30.300 -0.110 0.000 1.144 91 R HN 0.609 nan 8.270 nan 0.000 0.447 92 L N 5.422 126.579 121.223 -0.110 0.000 2.409 92 L HA 0.533 4.873 4.340 0.000 0.000 0.272 92 L C -0.132 176.777 176.870 0.065 0.000 0.980 92 L CA -1.004 53.831 54.840 -0.009 0.000 0.826 92 L CB 2.032 44.117 42.059 0.043 0.000 1.268 92 L HN 0.689 nan 8.230 nan 0.000 0.407 93 R N 2.205 122.722 120.500 0.030 0.000 2.543 93 R HA 0.601 4.941 4.340 0.000 0.000 0.268 93 R C -2.661 173.675 176.300 0.060 0.000 1.067 93 R CA -1.850 54.270 56.100 0.033 0.000 1.142 93 R CB -0.018 30.263 30.300 -0.031 0.000 1.110 93 R HN 0.154 nan 8.270 nan 0.000 0.549 94 P HA -0.067 nan 4.420 nan 0.000 0.264 94 P C -0.661 176.656 177.300 0.028 0.000 1.183 94 P CA 0.540 63.659 63.100 0.031 0.000 0.763 94 P CB 0.255 31.958 31.700 0.006 0.000 0.807 95 D N -1.199 119.214 120.400 0.023 0.000 3.059 95 D HA -0.185 4.455 4.640 0.000 0.000 0.213 95 D C 0.158 176.475 176.300 0.028 0.000 1.144 95 D CA 1.450 55.461 54.000 0.019 0.000 0.975 95 D CB -0.816 39.991 40.800 0.012 0.000 1.125 95 D HN 0.445 nan 8.370 nan 0.000 0.412 96 D N -0.349 120.075 120.400 0.040 0.000 2.332 96 D HA 0.529 5.169 4.640 0.000 0.000 0.252 96 D C -0.079 176.246 176.300 0.042 0.000 1.050 96 D CA -0.153 53.867 54.000 0.034 0.000 0.970 96 D CB 1.192 42.006 40.800 0.023 0.000 1.141 96 D HN 0.071 nan 8.370 nan 0.000 0.485 97 S N 0.612 116.332 115.700 0.033 0.000 2.599 97 S HA 0.804 5.274 4.470 0.000 0.000 0.294 97 S C -0.765 173.859 174.600 0.040 0.000 1.094 97 S CA -0.877 57.345 58.200 0.038 0.000 0.931 97 S CB 2.523 65.735 63.200 0.020 0.000 1.093 97 S HN 0.331 nan 8.310 nan 0.000 0.488 98 K N 1.145 121.583 120.400 0.064 0.000 2.523 98 K HA 0.464 4.784 4.320 0.000 0.000 0.257 98 K C -1.547 175.135 176.600 0.136 0.000 0.932 98 K CA -0.484 55.852 56.287 0.082 0.000 0.812 98 K CB 1.471 34.016 32.500 0.075 0.000 1.326 98 K HN 0.893 nan 8.250 nan 0.000 0.433 99 N N 2.626 121.391 118.700 0.108 0.000 2.466 99 N HA 0.614 5.354 4.740 0.000 0.000 0.294 99 N C -0.757 174.875 175.510 0.203 0.000 1.129 99 N CA -0.310 52.777 53.050 0.061 0.000 0.931 99 N CB 0.964 39.435 38.487 -0.027 0.000 1.193 99 N HN 0.483 nan 8.380 nan 0.000 0.500 100 F N -2.656 117.284 119.950 -0.015 0.000 2.779 100 F HA 0.689 5.216 4.527 0.000 0.000 0.316 100 F C -1.003 174.807 175.800 0.017 0.000 1.164 100 F CA -1.043 56.955 58.000 -0.003 0.000 0.924 100 F CB 1.243 40.238 39.000 -0.008 0.000 1.348 100 F HN 0.360 nan 8.300 nan 0.000 0.467 101 S N 0.986 116.801 115.700 0.190 0.000 2.566 101 S HA 0.800 5.270 4.470 0.000 0.000 0.298 101 S C -1.450 173.264 174.600 0.190 0.000 1.083 101 S CA -0.768 57.494 58.200 0.102 0.000 0.978 101 S CB 1.761 65.005 63.200 0.074 0.000 1.073 101 S HN 0.743 nan 8.310 nan 0.000 0.491 102 I N 1.828 122.500 120.570 0.170 0.000 2.619 102 I HA 0.442 4.612 4.170 0.000 0.000 0.292 102 I C -1.301 174.915 176.117 0.166 0.000 1.100 102 I CA -0.407 61.006 61.300 0.189 0.000 1.043 102 I CB 1.923 40.057 38.000 0.224 0.000 1.239 102 I HN 0.525 nan 8.210 nan 0.000 0.420 103 Q N 5.364 125.231 119.800 0.113 0.000 2.333 103 Q HA 0.687 5.027 4.340 0.000 0.000 0.267 103 Q C -1.825 174.219 176.000 0.073 0.000 1.012 103 Q CA -0.761 55.082 55.803 0.067 0.000 0.824 103 Q CB 2.633 31.395 28.738 0.040 0.000 1.290 103 Q HN 0.525 nan 8.270 nan 0.000 0.449 104 V N 3.288 123.237 119.914 0.058 0.000 2.709 104 V HA 0.588 4.708 4.120 0.000 0.000 0.308 104 V C -0.776 175.355 176.094 0.062 0.000 1.062 104 V CA -0.831 61.499 62.300 0.050 0.000 0.901 104 V CB 2.062 33.887 31.823 0.004 0.000 1.003 104 V HN 0.701 nan 8.190 nan 0.000 0.425 105 R N 2.572 123.148 120.500 0.128 0.000 2.561 105 R HA 0.549 4.889 4.340 0.000 0.000 0.297 105 R C -0.927 175.478 176.300 0.175 0.000 0.969 105 R CA -0.800 55.368 56.100 0.113 0.000 0.879 105 R CB 1.853 32.197 30.300 0.072 0.000 1.178 105 R HN 0.684 nan 8.270 nan 0.000 0.445 106 Q N 3.273 123.140 119.800 0.112 0.000 2.472 106 Q HA 0.204 4.544 4.340 0.000 0.000 0.227 106 Q C -0.949 175.037 176.000 -0.023 0.000 1.156 106 Q CA -0.165 55.661 55.803 0.038 0.000 0.924 106 Q CB 0.902 29.658 28.738 0.030 0.000 1.354 106 Q HN 0.430 nan 8.270 nan 0.000 0.525 107 V N 3.178 123.048 119.914 -0.073 0.000 2.740 107 V HA 0.029 4.149 4.120 0.000 0.000 0.303 107 V C 0.629 176.738 176.094 0.025 0.000 1.054 107 V CA -0.162 62.128 62.300 -0.017 0.000 1.106 107 V CB 1.183 32.998 31.823 -0.013 0.000 0.957 107 V HN 0.698 nan 8.190 nan 0.000 0.486 108 E N 2.667 122.899 120.200 0.054 0.000 2.343 108 E HA 0.143 4.493 4.350 0.000 0.000 0.269 108 E C 0.128 176.792 176.600 0.106 0.000 1.047 108 E CA -0.175 56.269 56.400 0.074 0.000 0.874 108 E CB 0.400 30.132 29.700 0.055 0.000 1.033 108 E HN 0.752 nan 8.360 nan 0.000 0.409 109 D N 2.197 122.669 120.400 0.120 0.000 2.760 109 D HA -0.258 4.382 4.640 0.000 0.000 0.244 109 D C -1.792 174.594 176.300 0.144 0.000 1.123 109 D CA 0.713 54.777 54.000 0.107 0.000 0.719 109 D CB -1.208 39.630 40.800 0.063 0.000 1.045 109 D HN 0.354 nan 8.370 nan 0.000 0.426 110 Y N 0.064 120.387 120.300 0.039 0.000 2.352 110 Y HA 0.535 5.085 4.550 0.000 0.000 0.326 110 Y C -1.919 173.996 175.900 0.026 0.000 1.166 110 Y CA -1.992 56.119 58.100 0.018 0.000 1.182 110 Y CB 1.150 39.605 38.460 -0.009 0.000 1.216 110 Y HN -0.026 nan 8.280 nan 0.000 0.474 111 P HA 0.092 nan 4.420 nan 0.000 0.267 111 P C -1.440 175.815 177.300 -0.075 0.000 1.200 111 P CA 0.206 63.161 63.100 -0.243 0.000 0.772 111 P CB 0.604 32.097 31.700 -0.345 0.000 0.855 112 V N 2.772 122.673 119.914 -0.022 0.000 2.577 112 V HA 0.310 4.430 4.120 0.000 0.000 0.303 112 V C -0.600 175.548 176.094 0.090 0.000 1.042 112 V CA -0.573 61.751 62.300 0.039 0.000 0.872 112 V CB 2.142 33.901 31.823 -0.108 0.000 0.998 112 V HN 0.394 nan 8.190 nan 0.000 0.423 113 D N 4.456 124.996 120.400 0.235 0.000 2.256 113 D HA 0.596 5.237 4.640 0.000 0.000 0.240 113 D C -0.489 176.038 176.300 0.379 0.000 1.062 113 D CA 0.002 54.197 54.000 0.325 0.000 0.832 113 D CB 2.183 43.338 40.800 0.592 0.000 1.135 113 D HN 0.382 nan 8.370 nan 0.000 0.484 114 I N 2.707 123.427 120.570 0.251 0.000 2.411 114 I HA 0.167 4.337 4.170 0.000 0.000 0.284 114 I C -0.981 175.310 176.117 0.290 0.000 1.012 114 I CA -1.022 60.442 61.300 0.274 0.000 1.119 114 I CB 1.150 39.236 38.000 0.143 0.000 1.261 114 I HN 0.221 nan 8.210 nan 0.000 0.448 115 Y N 7.084 127.517 120.300 0.220 0.000 2.353 115 Y HA 0.299 4.849 4.550 0.000 0.000 0.340 115 Y C -0.909 175.164 175.900 0.288 0.000 0.972 115 Y CA -0.656 57.541 58.100 0.161 0.000 1.157 115 Y CB 0.761 39.189 38.460 -0.054 0.000 1.157 115 Y HN 0.437 nan 8.280 nan 0.000 0.495 116 Y N 7.547 127.743 120.300 -0.173 0.000 2.425 116 Y HA 0.430 4.980 4.550 0.000 0.000 0.347 116 Y C -1.331 174.326 175.900 -0.405 0.000 0.976 116 Y CA -0.654 57.408 58.100 -0.064 0.000 1.190 116 Y CB 0.575 39.205 38.460 0.283 0.000 1.136 116 Y HN 0.627 nan 8.280 nan 0.000 0.517 117 L N 8.295 129.357 121.223 -0.269 0.000 2.294 117 L HA 0.523 4.863 4.340 0.000 0.000 0.283 117 L C -1.226 175.544 176.870 -0.168 0.000 1.015 117 L CA -0.564 54.202 54.840 -0.123 0.000 0.831 117 L CB 1.037 43.250 42.059 0.257 0.000 1.217 117 L HN 0.780 nan 8.230 nan 0.000 0.420 118 M N 3.692 123.134 119.600 -0.265 0.000 2.383 118 M HA 0.361 4.841 4.480 0.000 0.000 0.325 118 M C -0.949 174.919 176.300 -0.720 0.000 1.092 118 M CA -0.715 54.387 55.300 -0.329 0.000 0.961 118 M CB 1.507 34.072 32.600 -0.059 0.000 1.672 118 M HN 0.634 nan 8.290 nan 0.000 0.438 119 D N 4.635 124.453 120.400 -0.970 0.000 2.382 119 D HA 0.127 4.767 4.640 0.000 0.000 0.259 119 D C -0.444 175.549 176.300 -0.512 0.000 1.224 119 D CA 0.391 53.665 54.000 -1.210 0.000 0.894 119 D CB 0.523 40.945 40.800 -0.630 0.000 1.127 119 D HN 0.679 nan 8.370 nan 0.000 0.487 120 L N 3.416 124.398 121.223 -0.402 0.000 3.141 120 L HA 0.101 4.441 4.340 0.000 0.000 0.267 120 L C 0.905 177.728 176.870 -0.078 0.000 1.281 120 L CA -0.437 54.339 54.840 -0.107 0.000 1.037 120 L CB 0.035 42.159 42.059 0.109 0.000 1.407 120 L HN 0.311 nan 8.230 nan 0.000 0.566 121 S N -1.808 113.825 115.700 -0.111 0.000 2.606 121 S HA -0.042 4.428 4.470 0.000 0.000 0.257 121 S C 1.010 175.646 174.600 0.060 0.000 1.327 121 S CA -0.116 58.083 58.200 -0.001 0.000 0.984 121 S CB 0.585 63.793 63.200 0.013 0.000 0.941 121 S HN 0.291 nan 8.310 nan 0.000 0.576 122 Y N 1.380 121.689 120.300 0.015 0.000 2.352 122 Y HA -0.087 4.463 4.550 0.000 0.000 0.292 122 Y C 2.691 178.603 175.900 0.020 0.000 1.136 122 Y CA 1.845 59.961 58.100 0.027 0.000 1.227 122 Y CB -0.560 37.924 38.460 0.039 0.000 0.991 122 Y HN 0.821 nan 8.280 nan 0.000 0.545 123 S N -1.207 114.547 115.700 0.090 0.000 2.555 123 S HA -0.089 4.381 4.470 0.000 0.000 0.230 123 S C 1.429 176.009 174.600 -0.034 0.000 0.978 123 S CA 0.736 58.956 58.200 0.034 0.000 0.934 123 S CB -0.274 62.965 63.200 0.065 0.000 0.766 123 S HN 0.339 nan 8.310 nan 0.000 0.533 124 M N 0.847 120.411 119.600 -0.059 0.000 2.431 124 M HA 0.314 4.794 4.480 0.000 0.000 0.237 124 M C 1.700 177.962 176.300 -0.063 0.000 1.130 124 M CA 0.188 55.459 55.300 -0.049 0.000 1.002 124 M CB -0.587 31.980 32.600 -0.054 0.000 1.524 124 M HN 0.396 nan 8.290 nan 0.000 0.482 125 K N 1.833 122.137 120.400 -0.160 0.000 2.009 125 K HA -0.215 4.105 4.320 0.000 0.000 0.210 125 K C 1.425 177.992 176.600 -0.055 0.000 1.049 125 K CA 2.236 58.419 56.287 -0.174 0.000 0.929 125 K CB 0.054 32.313 32.500 -0.402 0.000 0.714 125 K HN 0.371 nan 8.250 nan 0.000 0.440 126 D N 0.110 120.478 120.400 -0.053 0.000 2.218 126 D HA -0.181 4.459 4.640 0.000 0.000 0.204 126 D C 0.984 177.344 176.300 0.100 0.000 0.976 126 D CA 1.378 55.390 54.000 0.020 0.000 0.853 126 D CB -0.503 40.293 40.800 -0.007 0.000 0.939 126 D HN 0.323 nan 8.370 nan 0.000 0.481 127 D N 0.524 120.965 120.400 0.068 0.000 2.149 127 D HA -0.012 4.628 4.640 0.000 0.000 0.201 127 D C 2.228 178.593 176.300 0.108 0.000 0.972 127 D CA 0.340 54.395 54.000 0.091 0.000 0.835 127 D CB -0.146 40.700 40.800 0.077 0.000 0.966 127 D HN 0.145 nan 8.370 nan 0.000 0.476 128 L N 0.013 121.296 121.223 0.100 0.000 2.042 128 L HA -0.166 4.174 4.340 0.000 0.000 0.210 128 L C 2.231 179.154 176.870 0.088 0.000 1.076 128 L CA 1.092 55.979 54.840 0.078 0.000 0.749 128 L CB -0.200 41.900 42.059 0.070 0.000 0.893 128 L HN 0.404 nan 8.230 nan 0.000 0.432 129 W N 0.287 121.558 121.300 -0.049 0.000 2.355 129 W HA -0.228 4.432 4.660 0.000 0.000 0.309 129 W C 2.545 179.043 176.519 -0.036 0.000 1.206 129 W CA 1.757 59.073 57.345 -0.047 0.000 1.284 129 W CB -0.070 29.364 29.460 -0.042 0.000 1.145 129 W HN 0.144 nan 8.180 nan 0.000 0.502 130 S N 1.049 116.824 115.700 0.125 0.000 2.382 130 S HA -0.215 4.255 4.470 0.000 0.000 0.228 130 S C 1.572 176.141 174.600 -0.051 0.000 1.027 130 S CA 1.689 59.913 58.200 0.040 0.000 0.991 130 S CB -0.533 62.717 63.200 0.083 0.000 0.823 130 S HN 0.500 nan 8.310 nan 0.000 0.469 131 I N 0.655 121.192 120.570 -0.054 0.000 3.861 131 I HA 0.141 4.311 4.170 0.000 0.000 0.329 131 I C 1.748 177.789 176.117 -0.128 0.000 1.321 131 I CA -0.117 61.138 61.300 -0.075 0.000 1.126 131 I CB -0.428 37.538 38.000 -0.058 0.000 1.018 131 I HN 0.197 nan 8.210 nan 0.000 0.407 132 Q N 2.027 121.697 119.800 -0.217 0.000 2.369 132 Q HA -0.120 4.220 4.340 0.000 0.000 0.206 132 Q C 0.759 176.645 176.000 -0.189 0.000 0.963 132 Q CA 1.346 56.991 55.803 -0.262 0.000 0.894 132 Q CB -0.492 28.004 28.738 -0.404 0.000 0.965 132 Q HN 0.713 nan 8.270 nan 0.000 0.475 133 N N 0.201 118.808 118.700 -0.156 0.000 2.204 133 N HA -0.011 4.729 4.740 0.000 0.000 0.219 133 N C 1.138 176.594 175.510 -0.089 0.000 1.151 133 N CA -0.170 52.812 53.050 -0.112 0.000 0.867 133 N CB 0.237 38.653 38.487 -0.119 0.000 1.043 133 N HN 0.167 nan 8.380 nan 0.000 0.516 134 L N 0.922 122.100 121.223 -0.075 0.000 2.131 134 L HA 0.172 4.512 4.340 0.000 0.000 0.210 134 L C 1.991 178.711 176.870 -0.250 0.000 1.092 134 L CA 1.772 56.532 54.840 -0.133 0.000 0.759 134 L CB -0.956 41.020 42.059 -0.139 0.000 0.903 134 L HN 0.263 nan 8.230 nan 0.000 0.435 135 G N -1.412 107.249 108.800 -0.232 0.000 2.459 135 G HA2 -0.319 3.641 3.960 0.000 0.000 0.217 135 G HA3 -0.319 3.641 3.960 0.000 0.000 0.217 135 G C 1.468 176.243 174.900 -0.208 0.000 1.183 135 G CA 1.467 46.349 45.100 -0.363 0.000 0.776 135 G HN 0.510 nan 8.290 nan 0.000 0.552 136 T N -0.399 114.084 114.554 -0.119 0.000 2.812 136 T HA 0.038 4.388 4.350 0.000 0.000 0.264 136 T C 2.181 176.824 174.700 -0.095 0.000 1.042 136 T CA 1.357 63.401 62.100 -0.093 0.000 1.140 136 T CB -0.180 68.647 68.868 -0.069 0.000 0.870 136 T HN 0.309 nan 8.240 nan 0.000 0.445 137 K N 0.488 120.829 120.400 -0.098 0.000 2.097 137 K HA 0.077 4.397 4.320 0.000 0.000 0.206 137 K C 2.175 178.722 176.600 -0.089 0.000 1.049 137 K CA 0.947 57.186 56.287 -0.081 0.000 0.933 137 K CB -0.352 32.105 32.500 -0.072 0.000 0.717 137 K HN 0.170 nan 8.250 nan 0.000 0.442 138 L N 1.093 122.239 121.223 -0.128 0.000 2.072 138 L HA -0.048 4.292 4.340 0.000 0.000 0.205 138 L C 2.192 178.990 176.870 -0.121 0.000 1.079 138 L CA 1.599 56.359 54.840 -0.132 0.000 0.752 138 L CB -0.736 41.203 42.059 -0.200 0.000 0.906 138 L HN 0.105 nan 8.230 nan 0.000 0.436 139 A N -1.304 121.439 122.820 -0.129 0.000 1.892 139 A HA -0.277 4.043 4.320 0.000 0.000 0.218 139 A C 2.278 179.816 177.584 -0.076 0.000 1.188 139 A CA 2.637 54.613 52.037 -0.101 0.000 0.631 139 A CB -1.337 17.609 19.000 -0.091 0.000 0.822 139 A HN 0.517 nan 8.150 nan 0.000 0.447 140 T N -0.269 114.245 114.554 -0.067 0.000 2.708 140 T HA -0.147 4.203 4.350 0.000 0.000 0.266 140 T C 2.106 176.781 174.700 -0.042 0.000 1.037 140 T CA 1.599 63.670 62.100 -0.048 0.000 1.146 140 T CB -0.236 68.607 68.868 -0.042 0.000 0.865 140 T HN 0.466 nan 8.240 nan 0.000 0.435 141 Q N 0.261 120.034 119.800 -0.045 0.000 2.123 141 Q HA 0.155 4.495 4.340 0.000 0.000 0.199 141 Q C 2.246 178.221 176.000 -0.041 0.000 0.966 141 Q CA 0.872 56.655 55.803 -0.033 0.000 0.845 141 Q CB -0.340 28.382 28.738 -0.026 0.000 0.907 141 Q HN 0.422 nan 8.270 nan 0.000 0.439 142 M N -0.097 119.461 119.600 -0.071 0.000 2.476 142 M HA -0.032 4.448 4.480 0.000 0.000 0.262 142 M C 1.864 178.117 176.300 -0.079 0.000 1.079 142 M CA 0.776 56.014 55.300 -0.103 0.000 1.104 142 M CB -0.623 31.886 32.600 -0.151 0.000 1.409 142 M HN 0.153 nan 8.290 nan 0.000 0.467 143 R N 0.891 121.357 120.500 -0.055 0.000 2.148 143 R HA -0.117 4.223 4.340 0.000 0.000 0.227 143 R C 1.775 178.063 176.300 -0.020 0.000 1.103 143 R CA 1.119 57.196 56.100 -0.038 0.000 0.983 143 R CB 0.133 30.413 30.300 -0.034 0.000 0.874 143 R HN 0.319 nan 8.270 nan 0.000 0.451 144 K N -0.071 120.322 120.400 -0.013 0.000 2.211 144 K HA -0.072 4.248 4.320 0.000 0.000 0.203 144 K C 1.797 178.411 176.600 0.022 0.000 1.050 144 K CA 0.967 57.257 56.287 0.006 0.000 0.945 144 K CB 0.143 32.650 32.500 0.011 0.000 0.732 144 K HN 0.245 nan 8.250 nan 0.000 0.451 145 L N -0.770 120.464 121.223 0.019 0.000 2.425 145 L HA 0.101 4.441 4.340 0.000 0.000 0.215 145 L C 1.016 177.916 176.870 0.050 0.000 1.065 145 L CA 0.241 55.118 54.840 0.061 0.000 0.842 145 L CB 0.664 42.780 42.059 0.096 0.000 1.033 145 L HN -0.031 nan 8.230 nan 0.000 0.474 146 T N -1.608 112.942 114.554 -0.007 0.000 2.916 146 T HA 0.256 4.606 4.350 0.000 0.000 0.305 146 T C 0.436 175.121 174.700 -0.025 0.000 1.119 146 T CA -0.187 61.907 62.100 -0.010 0.000 1.008 146 T CB 1.698 70.538 68.868 -0.046 0.000 1.129 146 T HN 0.080 nan 8.240 nan 0.000 0.480 147 S N 2.682 118.370 115.700 -0.019 0.000 2.556 147 S HA 0.262 4.732 4.470 0.000 0.000 0.216 147 S C 0.325 174.904 174.600 -0.035 0.000 0.970 147 S CA -0.353 57.832 58.200 -0.024 0.000 0.912 147 S CB -0.084 63.107 63.200 -0.014 0.000 0.790 147 S HN 0.591 nan 8.310 nan 0.000 0.504 148 N N 1.833 120.505 118.700 -0.047 0.000 2.791 148 N HA 0.345 5.085 4.740 0.000 0.000 0.265 148 N C -1.602 173.877 175.510 -0.053 0.000 1.580 148 N CA -0.295 52.724 53.050 -0.053 0.000 0.809 148 N CB 1.322 39.764 38.487 -0.074 0.000 1.178 148 N HN 0.323 nan 8.380 nan 0.000 0.499 149 L N 1.157 122.350 121.223 -0.050 0.000 2.276 149 L HA 0.468 4.808 4.340 0.000 0.000 0.286 149 L C -0.109 176.745 176.870 -0.026 0.000 1.061 149 L CA -0.083 54.726 54.840 -0.051 0.000 0.807 149 L CB 0.496 42.510 42.059 -0.075 0.000 1.177 149 L HN 0.138 nan 8.230 nan 0.000 0.429 150 R N 6.282 126.782 120.500 0.001 0.000 2.670 150 R HA 0.751 5.091 4.340 0.000 0.000 0.289 150 R C -1.012 175.309 176.300 0.034 0.000 0.965 150 R CA -0.825 55.287 56.100 0.020 0.000 0.899 150 R CB 2.058 32.382 30.300 0.039 0.000 1.173 150 R HN 0.798 nan 8.270 nan 0.000 0.456 151 I N -2.112 118.481 120.570 0.039 0.000 2.865 151 I HA 0.913 5.083 4.170 0.000 0.000 0.302 151 I C -0.425 175.806 176.117 0.191 0.000 1.140 151 I CA -0.873 60.467 61.300 0.065 0.000 1.021 151 I CB 2.742 40.677 38.000 -0.108 0.000 1.233 151 I HN 0.662 nan 8.210 nan 0.000 0.427 152 G N 2.422 111.401 108.800 0.299 0.000 2.649 152 G HA2 0.716 4.676 3.960 0.000 0.000 0.290 152 G HA3 0.716 4.676 3.960 0.000 0.000 0.290 152 G C -2.397 172.636 174.900 0.223 0.000 1.426 152 G CA -0.670 44.638 45.100 0.346 0.000 0.794 152 G HN 0.706 nan 8.290 nan 0.000 0.483 153 F N -0.247 119.573 119.950 -0.217 0.000 2.615 153 F HA 0.710 5.237 4.527 0.000 0.000 0.312 153 F C 0.011 175.593 175.800 -0.364 0.000 1.119 153 F CA -0.006 57.754 58.000 -0.399 0.000 0.979 153 F CB 2.182 40.921 39.000 -0.435 0.000 1.266 153 F HN 0.921 nan 8.300 nan 0.000 0.444 154 G N 2.218 110.513 108.800 -0.841 0.000 2.694 154 G HA2 0.844 4.804 3.960 0.000 0.000 0.290 154 G HA3 0.844 4.804 3.960 0.000 0.000 0.290 154 G C -2.233 172.419 174.900 -0.414 0.000 1.386 154 G CA -0.504 44.482 45.100 -0.190 0.000 0.872 154 G HN 1.066 nan 8.290 nan 0.000 0.475 155 A N -0.524 122.316 122.820 0.034 0.000 2.498 155 A HA 0.950 5.270 4.320 0.000 0.000 0.298 155 A C -1.242 176.670 177.584 0.546 0.000 1.075 155 A CA -0.738 51.378 52.037 0.131 0.000 0.714 155 A CB 1.477 20.591 19.000 0.190 0.000 1.299 155 A HN 1.934 nan 8.150 nan 0.000 0.407 156 F N -0.386 119.784 119.950 0.367 0.000 2.631 156 F HA 0.776 5.303 4.527 0.000 0.000 0.308 156 F C -0.467 175.353 175.800 0.034 0.000 1.097 156 F CA -0.781 57.411 58.000 0.321 0.000 0.952 156 F CB 0.792 39.973 39.000 0.302 0.000 1.307 156 F HN 0.360 nan 8.300 nan 0.000 0.450 157 V N -0.679 119.257 119.914 0.036 0.000 4.233 157 V HA 0.459 4.579 4.120 0.000 0.000 0.183 157 V C -0.836 175.387 176.094 0.215 0.000 1.097 157 V CA 0.461 62.730 62.300 -0.052 0.000 1.385 157 V CB 0.421 32.021 31.823 -0.372 0.000 1.805 157 V HN 0.873 nan 8.190 nan 0.000 0.496 158 D N -1.307 119.171 120.400 0.131 0.000 2.692 158 D HA 0.281 4.921 4.640 0.000 0.000 0.290 158 D C -1.405 174.979 176.300 0.139 0.000 1.281 158 D CA -0.640 53.457 54.000 0.162 0.000 0.804 158 D CB 1.685 42.538 40.800 0.089 0.000 1.331 158 D HN 0.097 nan 8.370 nan 0.000 0.432 159 K N 1.609 122.061 120.400 0.086 0.000 2.453 159 K HA 0.169 4.489 4.320 0.000 0.000 0.280 159 K C -1.943 174.771 176.600 0.190 0.000 1.045 159 K CA -0.860 55.493 56.287 0.110 0.000 1.059 159 K CB 0.337 32.862 32.500 0.043 0.000 0.901 159 K HN 0.112 nan 8.250 nan 0.000 0.475 160 P HA 0.038 nan 4.420 nan 0.000 0.244 160 P C -0.870 176.501 177.300 0.118 0.000 1.769 160 P CA 0.077 63.263 63.100 0.145 0.000 1.102 160 P CB 0.280 32.066 31.700 0.143 0.000 1.937 161 V N 1.255 121.257 119.914 0.146 0.000 3.077 161 V HA 0.358 4.478 4.120 0.000 0.000 0.299 161 V C -0.548 175.548 176.094 0.003 0.000 1.276 161 V CA -0.745 61.597 62.300 0.071 0.000 0.993 161 V CB 2.419 34.277 31.823 0.057 0.000 1.076 161 V HN 0.279 nan 8.190 nan 0.000 0.434 162 S N 5.612 121.273 115.700 -0.064 0.000 2.562 162 S HA 0.416 4.886 4.470 0.000 0.000 0.281 162 S C -1.536 172.887 174.600 -0.295 0.000 1.333 162 S CA -0.194 57.922 58.200 -0.140 0.000 1.052 162 S CB 1.214 64.360 63.200 -0.090 0.000 0.884 162 S HN 0.807 nan 8.310 nan 0.000 0.506 163 P HA 0.147 nan 4.420 nan 0.000 0.262 163 P C 0.167 177.304 177.300 -0.272 0.000 1.304 163 P CA 0.096 63.012 63.100 -0.307 0.000 0.859 163 P CB -0.034 31.509 31.700 -0.262 0.000 1.310 164 Y N -0.124 120.148 120.300 -0.048 0.000 2.263 164 Y HA 0.107 4.657 4.550 0.000 0.000 0.292 164 Y C 1.808 177.634 175.900 -0.123 0.000 1.130 164 Y CA 0.453 58.531 58.100 -0.036 0.000 1.179 164 Y CB -0.753 37.739 38.460 0.053 0.000 0.998 164 Y HN -0.018 nan 8.280 nan 0.000 0.532 165 M N -0.105 119.515 119.600 0.034 0.000 2.318 165 M HA 0.305 4.785 4.480 0.000 0.000 0.347 165 M C -1.467 174.782 176.300 -0.085 0.000 1.175 165 M CA -0.759 54.543 55.300 0.003 0.000 1.075 165 M CB 0.805 33.456 32.600 0.085 0.000 1.614 165 M HN 0.021 nan 8.290 nan 0.000 0.456 166 Y N 4.883 125.227 120.300 0.073 0.000 2.377 166 Y HA 0.201 4.751 4.550 0.000 0.000 0.330 166 Y C 0.919 176.841 175.900 0.037 0.000 1.108 166 Y CA -0.054 58.080 58.100 0.057 0.000 1.308 166 Y CB 0.227 38.733 38.460 0.076 0.000 1.216 166 Y HN 0.639 nan 8.280 nan 0.000 0.518 167 I N -0.668 119.996 120.570 0.156 0.000 4.050 167 I HA 0.434 4.604 4.170 0.000 0.000 0.327 167 I C -0.307 175.840 176.117 0.050 0.000 1.473 167 I CA -0.207 61.140 61.300 0.079 0.000 1.124 167 I CB 0.227 38.251 38.000 0.038 0.000 1.129 167 I HN 0.382 nan 8.210 nan 0.000 0.428 168 S N 0.545 116.283 115.700 0.064 0.000 2.547 168 S HA 0.672 5.142 4.470 0.000 0.000 0.270 168 S C -2.948 171.640 174.600 -0.020 0.000 1.150 168 S CA -0.886 57.321 58.200 0.011 0.000 0.850 168 S CB 1.565 64.783 63.200 0.030 0.000 1.118 168 S HN 0.055 nan 8.310 nan 0.000 0.461 169 P HA 0.361 nan 4.420 nan 0.000 0.275 169 P C -2.073 175.121 177.300 -0.176 0.000 1.270 169 P CA -1.066 61.949 63.100 -0.142 0.000 0.791 169 P CB -0.731 30.863 31.700 -0.177 0.000 1.089 170 P HA -0.184 nan 4.420 nan 0.000 0.216 170 P C 1.594 178.808 177.300 -0.144 0.000 1.150 170 P CA 1.581 64.619 63.100 -0.102 0.000 0.843 170 P CB -0.118 31.539 31.700 -0.072 0.000 0.787 171 E N -0.394 119.663 120.200 -0.237 0.000 2.171 171 E HA -0.230 4.120 4.350 0.000 0.000 0.197 171 E C 1.831 178.259 176.600 -0.286 0.000 0.997 171 E CA 1.201 57.436 56.400 -0.275 0.000 0.810 171 E CB -0.448 29.017 29.700 -0.391 0.000 0.738 171 E HN 0.118 nan 8.360 nan 0.000 0.467 172 A N 0.463 123.054 122.820 -0.381 0.000 2.015 172 A HA -0.097 4.223 4.320 0.000 0.000 0.219 172 A C 2.068 179.648 177.584 -0.005 0.000 1.163 172 A CA 0.731 52.661 52.037 -0.177 0.000 0.646 172 A CB -0.348 18.582 19.000 -0.116 0.000 0.806 172 A HN 0.268 nan 8.150 nan 0.000 0.448 173 L N -1.237 119.977 121.223 -0.016 0.000 2.072 173 L HA -0.124 4.216 4.340 0.000 0.000 0.205 173 L C 2.603 179.500 176.870 0.045 0.000 1.079 173 L CA 1.599 56.459 54.840 0.034 0.000 0.752 173 L CB -0.365 41.705 42.059 0.018 0.000 0.906 173 L HN 0.457 nan 8.230 nan 0.000 0.436 174 E N -0.167 120.043 120.200 0.017 0.000 2.112 174 E HA -0.137 4.213 4.350 0.000 0.000 0.190 174 E C 0.307 176.941 176.600 0.056 0.000 0.979 174 E CA 0.457 56.876 56.400 0.032 0.000 0.814 174 E CB 0.368 30.074 29.700 0.011 0.000 0.762 174 E HN 0.192 nan 8.360 nan 0.000 0.460 175 N N -0.390 118.341 118.700 0.052 0.000 2.648 175 N HA 0.147 4.887 4.740 0.000 0.000 0.261 175 N C -2.494 173.082 175.510 0.109 0.000 1.138 175 N CA -1.871 51.231 53.050 0.088 0.000 0.804 175 N CB 1.519 40.060 38.487 0.091 0.000 1.237 175 N HN -0.232 nan 8.380 nan 0.000 0.532 176 P HA 0.013 nan 4.420 nan 0.000 0.222 176 P C 0.411 177.729 177.300 0.030 0.000 1.147 176 P CA 0.853 64.019 63.100 0.111 0.000 0.790 176 P CB 0.219 32.020 31.700 0.168 0.000 0.780 177 c N -1.912 116.711 118.600 0.039 0.000 2.578 177 c HA 0.091 4.661 4.570 0.000 0.000 0.285 177 c C 2.302 176.367 174.090 -0.041 0.000 1.297 177 c CA -0.660 55.633 56.329 -0.060 0.000 1.690 177 c CB -2.553 39.938 42.510 -0.030 0.000 1.773 177 c HN 0.376 nan 8.230 nan 0.000 0.594 178 Y N 2.965 123.205 120.300 -0.099 0.000 2.207 178 Y HA -0.201 4.349 4.550 0.000 0.000 0.287 178 Y C 1.815 177.662 175.900 -0.089 0.000 1.156 178 Y CA 2.156 60.212 58.100 -0.074 0.000 1.182 178 Y CB -0.521 37.905 38.460 -0.056 0.000 0.979 178 Y HN 0.400 nan 8.280 nan 0.000 0.521 179 D N 0.279 120.042 120.400 -1.061 0.000 2.349 179 D HA 0.019 4.659 4.640 0.000 0.000 0.215 179 D C 0.620 176.651 176.300 -0.449 0.000 1.016 179 D CA 0.290 53.721 54.000 -0.948 0.000 0.870 179 D CB -0.378 39.867 40.800 -0.925 0.000 0.917 179 D HN 0.477 nan 8.370 nan 0.000 0.524 180 M N -0.203 119.194 119.600 -0.340 0.000 2.116 180 M HA 0.288 4.768 4.480 0.000 0.000 0.235 180 M C 0.798 176.998 176.300 -0.167 0.000 1.193 180 M CA -0.505 54.658 55.300 -0.227 0.000 0.959 180 M CB 0.832 33.289 32.600 -0.240 0.000 1.313 180 M HN -0.374 nan 8.290 nan 0.000 0.530 181 K N 0.907 121.246 120.400 -0.102 0.000 2.681 181 K HA 0.200 4.520 4.320 0.000 0.000 0.211 181 K C -0.432 176.153 176.600 -0.024 0.000 1.075 181 K CA -0.005 56.245 56.287 -0.062 0.000 1.141 181 K CB -0.019 32.452 32.500 -0.048 0.000 0.896 181 K HN 0.825 nan 8.250 nan 0.000 0.470 182 T N -3.336 111.209 114.554 -0.015 0.000 2.716 182 T HA 0.329 4.679 4.350 0.000 0.000 0.286 182 T C -0.400 174.329 174.700 0.049 0.000 1.052 182 T CA -0.721 61.399 62.100 0.032 0.000 1.024 182 T CB 2.152 71.070 68.868 0.084 0.000 1.349 182 T HN -0.109 nan 8.240 nan 0.000 0.525 183 T N 0.028 114.630 114.554 0.080 0.000 2.881 183 T HA 0.647 4.997 4.350 0.000 0.000 0.290 183 T C -0.414 174.362 174.700 0.126 0.000 1.000 183 T CA -0.575 61.579 62.100 0.090 0.000 0.978 183 T CB -0.129 68.782 68.868 0.071 0.000 0.997 183 T HN 1.194 nan 8.240 nan 0.000 0.443 184 c N 4.049 122.733 118.600 0.140 0.000 3.108 184 c HA 0.781 5.351 4.570 0.000 0.000 0.321 184 c C -0.015 174.172 174.090 0.163 0.000 1.357 184 c CA -1.426 55.007 56.329 0.174 0.000 1.562 184 c CB -0.110 42.547 42.510 0.243 0.000 2.003 184 c HN 0.905 nan 8.230 nan 0.000 0.460 185 L N 2.032 123.372 121.223 0.194 0.000 2.467 185 L HA 0.309 4.649 4.340 0.000 0.000 0.270 185 L C -1.883 175.124 176.870 0.227 0.000 1.205 185 L CA -0.946 54.021 54.840 0.212 0.000 0.828 185 L CB 0.193 42.428 42.059 0.292 0.000 1.101 185 L HN 0.474 nan 8.230 nan 0.000 0.479 186 P HA -0.057 nan 4.420 nan 0.000 0.267 186 P C -0.265 177.211 177.300 0.292 0.000 1.201 186 P CA -0.289 62.932 63.100 0.202 0.000 0.775 186 P CB 0.387 32.181 31.700 0.155 0.000 0.854 187 M N 3.698 123.432 119.600 0.223 0.000 2.249 187 M HA 0.344 4.824 4.480 0.000 0.000 0.340 187 M C -0.802 175.670 176.300 0.286 0.000 1.166 187 M CA 0.438 55.842 55.300 0.172 0.000 1.115 187 M CB -0.933 31.750 32.600 0.138 0.000 1.606 187 M HN 0.291 nan 8.290 nan 0.000 0.448 188 F N 1.645 121.719 119.950 0.207 0.000 2.626 188 F HA 0.810 5.337 4.527 0.000 0.000 0.311 188 F C 0.406 176.368 175.800 0.270 0.000 1.088 188 F CA -0.628 57.525 58.000 0.256 0.000 0.949 188 F CB 0.626 39.816 39.000 0.315 0.000 1.322 188 F HN 0.535 nan 8.300 nan 0.000 0.461 189 G N 0.247 109.334 108.800 0.478 0.000 2.610 189 G HA2 0.156 4.116 3.960 0.000 0.000 0.215 189 G HA3 0.156 4.116 3.960 0.000 0.000 0.215 189 G C -1.254 174.011 174.900 0.608 0.000 1.243 189 G CA 0.709 46.070 45.100 0.434 0.000 0.847 189 G HN 0.778 nan 8.290 nan 0.000 0.560 190 Y N 1.428 122.035 120.300 0.512 0.000 2.421 190 Y HA 0.574 5.124 4.550 0.000 0.000 0.339 190 Y C -0.995 175.069 175.900 0.273 0.000 0.996 190 Y CA -1.873 56.490 58.100 0.438 0.000 1.046 190 Y CB 1.361 40.004 38.460 0.305 0.000 1.226 190 Y HN 0.301 nan 8.280 nan 0.000 0.445 191 K N 4.025 124.165 120.400 -0.434 0.000 2.345 191 K HA 0.406 4.726 4.320 0.000 0.000 0.255 191 K C -1.576 174.556 176.600 -0.780 0.000 0.934 191 K CA -0.989 54.792 56.287 -0.844 0.000 0.801 191 K CB 1.869 33.739 32.500 -1.051 0.000 1.137 191 K HN 0.780 nan 8.250 nan 0.000 0.424 192 H N 2.218 120.836 119.070 -0.754 0.000 2.683 192 H HA 0.196 4.752 4.556 0.000 0.000 0.339 192 H C -0.087 175.178 175.328 -0.106 0.000 1.081 192 H CA -0.074 55.831 56.048 -0.239 0.000 1.432 192 H CB 1.089 30.804 29.762 -0.078 0.000 1.462 192 H HN 0.497 nan 8.280 nan 0.000 0.557 193 V N 4.163 123.769 119.914 -0.514 0.000 2.948 193 V HA 0.137 4.257 4.120 0.000 0.000 0.234 193 V C -0.322 175.511 176.094 -0.434 0.000 1.205 193 V CA 0.083 62.181 62.300 -0.337 0.000 1.234 193 V CB 0.130 31.945 31.823 -0.015 0.000 1.020 193 V HN 0.543 nan 8.190 nan 0.000 0.491 194 L N 0.880 121.862 121.223 -0.402 0.000 2.406 194 L HA 0.592 4.932 4.340 0.000 0.000 0.270 194 L C -0.152 176.773 176.870 0.091 0.000 0.982 194 L CA 0.136 54.888 54.840 -0.146 0.000 0.843 194 L CB 1.432 43.472 42.059 -0.031 0.000 1.225 194 L HN 0.094 nan 8.230 nan 0.000 0.412 195 T N 5.408 120.081 114.554 0.198 0.000 2.928 195 T HA 0.269 4.619 4.350 0.000 0.000 0.305 195 T C 0.505 175.306 174.700 0.169 0.000 1.035 195 T CA -0.066 62.223 62.100 0.315 0.000 1.145 195 T CB 0.066 69.064 68.868 0.216 0.000 0.963 195 T HN 0.475 nan 8.240 nan 0.000 0.545 196 L N 3.272 124.555 121.223 0.100 0.000 2.640 196 L HA 0.142 4.482 4.340 0.000 0.000 0.280 196 L C 1.028 177.929 176.870 0.052 0.000 1.229 196 L CA 0.449 55.326 54.840 0.061 0.000 0.919 196 L CB -0.133 41.899 42.059 -0.045 0.000 1.168 196 L HN 0.651 nan 8.230 nan 0.000 0.496 197 T N -0.129 114.462 114.554 0.063 0.000 2.883 197 T HA 0.276 4.626 4.350 0.000 0.000 0.301 197 T C 0.275 174.991 174.700 0.027 0.000 1.158 197 T CA -0.633 61.491 62.100 0.041 0.000 1.007 197 T CB 1.449 70.342 68.868 0.042 0.000 1.186 197 T HN 0.682 nan 8.240 nan 0.000 0.499 198 D N 1.381 121.788 120.400 0.012 0.000 2.355 198 D HA 0.016 4.656 4.640 0.000 0.000 0.218 198 D C 0.390 176.686 176.300 -0.007 0.000 1.004 198 D CA 0.367 54.365 54.000 -0.003 0.000 0.880 198 D CB 0.113 40.907 40.800 -0.009 0.000 0.911 198 D HN 0.321 nan 8.370 nan 0.000 0.528 199 Q N 1.335 121.137 119.800 0.003 0.000 2.553 199 Q HA 0.123 4.463 4.340 0.000 0.000 0.221 199 Q C 1.488 177.493 176.000 0.007 0.000 1.219 199 Q CA -0.123 55.679 55.803 -0.001 0.000 0.955 199 Q CB 1.334 30.072 28.738 0.001 0.000 1.399 199 Q HN 0.326 nan 8.270 nan 0.000 0.551 200 V N 0.095 120.005 119.914 -0.007 0.000 2.759 200 V HA -0.169 3.951 4.120 0.000 0.000 0.256 200 V C 1.851 177.957 176.094 0.021 0.000 1.080 200 V CA 1.897 64.193 62.300 -0.005 0.000 1.101 200 V CB -1.136 30.650 31.823 -0.062 0.000 0.698 200 V HN 0.608 nan 8.190 nan 0.000 0.477 201 T N -2.098 112.455 114.554 -0.002 0.000 2.962 201 T HA -0.089 4.261 4.350 0.000 0.000 0.270 201 T C 1.981 176.673 174.700 -0.013 0.000 1.088 201 T CA 0.975 63.068 62.100 -0.012 0.000 1.127 201 T CB -0.535 68.316 68.868 -0.029 0.000 0.883 201 T HN 0.479 nan 8.240 nan 0.000 0.493 202 R N -0.297 120.203 120.500 0.000 0.000 2.096 202 R HA 0.008 4.348 4.340 0.000 0.000 0.235 202 R C 2.043 178.324 176.300 -0.032 0.000 1.127 202 R CA 1.322 57.411 56.100 -0.018 0.000 0.968 202 R CB -0.679 29.620 30.300 -0.002 0.000 0.861 202 R HN 0.508 nan 8.270 nan 0.000 0.440 203 F N 2.387 122.261 119.950 -0.127 0.000 2.060 203 F HA -0.207 4.320 4.527 0.000 0.000 0.295 203 F C 1.959 177.612 175.800 -0.245 0.000 1.120 203 F CA 1.559 59.453 58.000 -0.178 0.000 1.205 203 F CB -0.251 38.662 39.000 -0.145 0.000 0.986 203 F HN -0.044 nan 8.300 nan 0.000 0.470 204 N N 0.725 119.467 118.700 0.071 0.000 2.037 204 N HA -0.209 4.531 4.740 0.000 0.000 0.196 204 N C 1.702 177.092 175.510 -0.200 0.000 1.034 204 N CA 1.904 54.911 53.050 -0.071 0.000 0.861 204 N CB -0.612 37.842 38.487 -0.054 0.000 1.039 204 N HN 0.377 nan 8.380 nan 0.000 0.427 205 E N 0.713 120.812 120.200 -0.167 0.000 2.152 205 E HA -0.074 4.276 4.350 0.000 0.000 0.192 205 E C 1.701 178.164 176.600 -0.229 0.000 0.983 205 E CA 0.498 56.795 56.400 -0.173 0.000 0.818 205 E CB -0.097 29.531 29.700 -0.119 0.000 0.758 205 E HN 0.442 nan 8.360 nan 0.000 0.467 206 E N 0.655 120.678 120.200 -0.296 0.000 2.072 206 E HA -0.097 4.253 4.350 0.000 0.000 0.191 206 E C 2.310 178.610 176.600 -0.500 0.000 0.985 206 E CA 0.598 56.780 56.400 -0.364 0.000 0.801 206 E CB -0.138 29.323 29.700 -0.399 0.000 0.750 206 E HN 0.076 nan 8.360 nan 0.000 0.452 207 V N 1.511 121.007 119.914 -0.697 0.000 2.427 207 V HA -0.226 3.894 4.120 0.000 0.000 0.248 207 V C 2.164 178.003 176.094 -0.424 0.000 1.051 207 V CA 1.583 63.420 62.300 -0.771 0.000 1.048 207 V CB -0.362 30.925 31.823 -0.893 0.000 0.666 207 V HN 0.198 nan 8.190 nan 0.000 0.456 208 K N -0.143 120.060 120.400 -0.328 0.000 2.280 208 K HA -0.137 4.183 4.320 0.000 0.000 0.202 208 K C 1.937 178.445 176.600 -0.153 0.000 1.047 208 K CA 1.077 57.230 56.287 -0.223 0.000 0.942 208 K CB -0.093 32.285 32.500 -0.203 0.000 0.739 208 K HN 0.410 nan 8.250 nan 0.000 0.457 209 K N -0.002 120.293 120.400 -0.175 0.000 2.367 209 K HA 0.069 4.389 4.320 0.000 0.000 0.194 209 K C 0.264 176.801 176.600 -0.105 0.000 1.027 209 K CA 0.019 56.235 56.287 -0.119 0.000 1.075 209 K CB 0.530 32.957 32.500 -0.122 0.000 0.845 209 K HN 0.062 nan 8.250 nan 0.000 0.529 210 Q N 1.061 120.773 119.800 -0.147 0.000 2.417 210 Q HA 0.125 4.465 4.340 0.000 0.000 0.241 210 Q C 0.143 176.136 176.000 -0.012 0.000 1.008 210 Q CA 0.249 55.998 55.803 -0.091 0.000 0.901 210 Q CB 1.684 30.343 28.738 -0.131 0.000 1.259 210 Q HN 0.167 nan 8.270 nan 0.000 0.489 211 S N -1.560 114.168 115.700 0.047 0.000 2.638 211 S HA 0.644 5.114 4.470 0.000 0.000 0.274 211 S C -0.218 174.476 174.600 0.156 0.000 1.157 211 S CA -0.860 57.391 58.200 0.085 0.000 0.826 211 S CB 0.775 64.024 63.200 0.082 0.000 1.139 211 S HN 0.438 nan 8.310 nan 0.000 0.474 212 V N -0.604 119.387 119.914 0.128 0.000 3.083 212 V HA 0.840 4.960 4.120 0.000 0.000 0.306 212 V C 0.467 176.697 176.094 0.226 0.000 1.077 212 V CA -0.135 62.255 62.300 0.149 0.000 1.073 212 V CB 1.029 32.872 31.823 0.033 0.000 1.081 212 V HN 1.080 nan 8.190 nan 0.000 0.474 213 S N 0.840 116.660 115.700 0.200 0.000 2.855 213 S HA 0.738 5.208 4.470 0.000 0.000 0.308 213 S C -0.464 174.258 174.600 0.202 0.000 1.077 213 S CA -1.013 57.304 58.200 0.195 0.000 0.896 213 S CB 1.501 64.765 63.200 0.107 0.000 1.339 213 S HN 1.089 nan 8.310 nan 0.000 0.602 214 R N 0.820 121.425 120.500 0.175 0.000 2.535 214 R HA 0.403 4.743 4.340 0.000 0.000 0.274 214 R C -1.551 174.893 176.300 0.239 0.000 1.090 214 R CA -0.336 55.887 56.100 0.204 0.000 0.930 214 R CB 0.930 31.324 30.300 0.156 0.000 1.223 214 R HN 0.968 nan 8.270 nan 0.000 0.441 215 N N 0.761 119.591 118.700 0.217 0.000 3.102 215 N HA 0.351 5.091 4.740 0.000 0.000 0.299 215 N C 0.007 175.581 175.510 0.107 0.000 1.482 215 N CA -1.019 52.126 53.050 0.159 0.000 0.785 215 N CB 1.675 40.227 38.487 0.108 0.000 1.680 215 N HN 0.460 nan 8.380 nan 0.000 0.594 216 R N -0.972 119.471 120.500 -0.096 0.000 2.105 216 R HA 0.049 4.389 4.340 0.000 0.000 0.214 216 R C -0.619 175.697 176.300 0.026 0.000 1.091 216 R CA 0.827 56.835 56.100 -0.154 0.000 1.007 216 R CB -0.136 29.920 30.300 -0.406 0.000 0.912 216 R HN 0.834 nan 8.270 nan 0.000 0.450 217 D N -1.235 119.218 120.400 0.089 0.000 2.228 217 D HA 0.191 4.831 4.640 0.000 0.000 0.247 217 D C 0.329 176.659 176.300 0.051 0.000 0.995 217 D CA -0.218 53.841 54.000 0.100 0.000 0.903 217 D CB 1.715 42.631 40.800 0.193 0.000 1.205 217 D HN 0.038 nan 8.370 nan 0.000 0.459 218 A N 1.658 124.483 122.820 0.008 0.000 1.877 218 A HA 0.075 4.395 4.320 0.000 0.000 0.216 218 A C -1.454 176.074 177.584 -0.092 0.000 1.186 218 A CA 0.816 52.841 52.037 -0.019 0.000 0.620 218 A CB -1.708 17.282 19.000 -0.017 0.000 0.822 218 A HN 0.580 nan 8.150 nan 0.000 0.443 219 P HA 0.260 nan 4.420 nan 0.000 0.271 219 P C -0.193 176.827 177.300 -0.467 0.000 1.216 219 P CA 0.221 63.046 63.100 -0.458 0.000 0.776 219 P CB 0.669 31.861 31.700 -0.846 0.000 0.881 220 E N 0.998 121.062 120.200 -0.227 0.000 2.281 220 E HA 0.437 4.787 4.350 0.000 0.000 0.257 220 E C 0.907 177.551 176.600 0.074 0.000 0.971 220 E CA -0.848 55.573 56.400 0.035 0.000 0.839 220 E CB 0.884 30.729 29.700 0.241 0.000 1.238 220 E HN 0.445 nan 8.360 nan 0.000 0.412 221 G N -0.245 108.704 108.800 0.248 0.000 3.678 221 G HA2 0.198 4.158 3.960 0.000 0.000 0.287 221 G HA3 0.198 4.158 3.960 0.000 0.000 0.287 221 G C 0.921 175.845 174.900 0.040 0.000 1.280 221 G CA 0.229 45.500 45.100 0.285 0.000 1.118 221 G HN 0.447 nan 8.290 nan 0.000 0.563 222 G N 0.517 109.145 108.800 -0.287 0.000 2.443 222 G HA2 -0.126 3.834 3.960 0.000 0.000 0.219 222 G HA3 -0.126 3.834 3.960 0.000 0.000 0.219 222 G C 1.329 176.191 174.900 -0.064 0.000 1.131 222 G CA 0.387 45.000 45.100 -0.812 0.000 0.775 222 G HN 0.343 nan 8.290 nan 0.000 0.547 223 F N 1.572 121.416 119.950 -0.176 0.000 2.259 223 F HA 0.061 4.588 4.527 0.000 0.000 0.298 223 F C 2.238 177.964 175.800 -0.123 0.000 1.088 223 F CA 0.178 58.074 58.000 -0.173 0.000 1.358 223 F CB -0.573 38.349 39.000 -0.131 0.000 1.040 223 F HN 0.090 nan 8.300 nan 0.000 0.505 224 D N 0.153 120.653 120.400 0.166 0.000 2.133 224 D HA -0.175 4.465 4.640 0.000 0.000 0.195 224 D C 2.341 178.484 176.300 -0.262 0.000 0.997 224 D CA 1.595 55.595 54.000 0.001 0.000 0.840 224 D CB -0.354 40.540 40.800 0.157 0.000 0.947 224 D HN 0.210 nan 8.370 nan 0.000 0.452 225 A N 0.134 122.811 122.820 -0.239 0.000 1.929 225 A HA -0.046 4.274 4.320 0.000 0.000 0.216 225 A C 2.385 179.695 177.584 -0.456 0.000 1.176 225 A CA 0.535 52.259 52.037 -0.523 0.000 0.628 225 A CB -0.537 18.305 19.000 -0.263 0.000 0.816 225 A HN 0.191 nan 8.150 nan 0.000 0.444 226 I N -1.134 119.303 120.570 -0.222 0.000 2.208 226 I HA -0.300 3.870 4.170 0.000 0.000 0.245 226 I C 2.639 178.621 176.117 -0.225 0.000 1.097 226 I CA 1.888 63.073 61.300 -0.191 0.000 1.363 226 I CB -0.235 37.592 38.000 -0.288 0.000 1.051 226 I HN 0.405 nan 8.210 nan 0.000 0.413 227 M N 0.407 119.864 119.600 -0.239 0.000 2.067 227 M HA -0.231 4.249 4.480 0.000 0.000 0.260 227 M C 2.272 178.442 176.300 -0.216 0.000 1.069 227 M CA 1.897 57.073 55.300 -0.205 0.000 1.117 227 M CB -0.466 32.036 32.600 -0.164 0.000 1.334 227 M HN 0.085 nan 8.290 nan 0.000 0.407 228 Q N -0.191 119.411 119.800 -0.330 0.000 2.079 228 Q HA -0.001 4.339 4.340 0.000 0.000 0.200 228 Q C 2.217 178.107 176.000 -0.182 0.000 0.974 228 Q CA 1.854 57.498 55.803 -0.266 0.000 0.840 228 Q CB -1.030 27.511 28.738 -0.328 0.000 0.898 228 Q HN 0.685 nan 8.270 nan 0.000 0.430 229 A N 0.273 122.923 122.820 -0.284 0.000 2.070 229 A HA -0.131 4.189 4.320 0.000 0.000 0.220 229 A C 2.133 179.749 177.584 0.054 0.000 1.159 229 A CA 1.808 53.757 52.037 -0.145 0.000 0.656 229 A CB -0.390 18.573 19.000 -0.062 0.000 0.800 229 A HN 0.356 nan 8.150 nan 0.000 0.453 230 T N -0.960 113.582 114.554 -0.020 0.000 2.953 230 T HA 0.006 4.356 4.350 0.000 0.000 0.247 230 T C 1.860 176.534 174.700 -0.044 0.000 1.029 230 T CA 1.465 63.540 62.100 -0.041 0.000 1.144 230 T CB -0.273 68.511 68.868 -0.140 0.000 0.870 230 T HN 0.576 nan 8.240 nan 0.000 0.446 231 V N -0.964 118.914 119.914 -0.060 0.000 3.406 231 V HA 0.215 4.335 4.120 0.000 0.000 0.263 231 V C 1.093 177.166 176.094 -0.034 0.000 1.172 231 V CA -0.081 62.187 62.300 -0.053 0.000 1.140 231 V CB -1.163 30.623 31.823 -0.062 0.000 0.784 231 V HN 0.373 nan 8.190 nan 0.000 0.467 232 c N 2.588 121.171 118.600 -0.029 0.000 2.700 232 c HA 0.343 4.913 4.570 0.000 0.000 0.529 232 c C 1.573 175.632 174.090 -0.052 0.000 1.093 232 c CA -0.563 55.740 56.329 -0.044 0.000 1.320 232 c CB -1.884 40.598 42.510 -0.046 0.000 1.478 232 c HN 0.540 nan 8.230 nan 0.000 0.598 233 D N 1.274 121.676 120.400 0.003 0.000 2.103 233 D HA -0.191 4.449 4.640 0.000 0.000 0.190 233 D C 2.016 178.304 176.300 -0.020 0.000 0.997 233 D CA 1.504 55.541 54.000 0.062 0.000 0.833 233 D CB -0.091 40.733 40.800 0.040 0.000 0.961 233 D HN 0.693 nan 8.370 nan 0.000 0.447 234 E N 0.261 120.439 120.200 -0.038 0.000 2.152 234 E HA -0.159 4.191 4.350 0.000 0.000 0.192 234 E C 1.930 178.474 176.600 -0.093 0.000 0.983 234 E CA 0.772 57.145 56.400 -0.046 0.000 0.818 234 E CB 0.157 29.842 29.700 -0.026 0.000 0.758 234 E HN 0.079 nan 8.360 nan 0.000 0.467 235 K N 0.026 120.341 120.400 -0.141 0.000 2.031 235 K HA -0.107 4.213 4.320 0.000 0.000 0.205 235 K C 1.866 178.209 176.600 -0.429 0.000 1.049 235 K CA 0.997 57.147 56.287 -0.227 0.000 0.939 235 K CB 0.031 32.393 32.500 -0.231 0.000 0.717 235 K HN 0.049 nan 8.250 nan 0.000 0.438 236 I N 0.404 120.661 120.570 -0.521 0.000 2.439 236 I HA 0.004 4.174 4.170 0.000 0.000 0.251 236 I C 1.368 177.160 176.117 -0.542 0.000 1.139 236 I CA 1.547 62.413 61.300 -0.723 0.000 1.438 236 I CB -0.246 37.142 38.000 -1.020 0.000 1.085 236 I HN 0.539 nan 8.210 nan 0.000 0.427 237 G N -0.831 107.743 108.800 -0.378 0.000 2.130 237 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 237 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 237 G C -0.141 174.675 174.900 -0.140 0.000 0.999 237 G CA -0.452 44.532 45.100 -0.194 0.000 0.686 237 G HN 0.263 nan 8.290 nan 0.000 0.515 238 W N 0.734 121.967 121.300 -0.111 0.000 2.295 238 W HA 0.472 5.132 4.660 0.000 0.000 0.335 238 W C 1.305 177.795 176.519 -0.047 0.000 1.351 238 W CA -0.490 56.764 57.345 -0.152 0.000 1.273 238 W CB 0.419 29.615 29.460 -0.439 0.000 1.214 238 W HN 0.143 nan 8.180 nan 0.000 0.563 239 R N 2.375 123.080 120.500 0.342 0.000 2.459 239 R HA 0.100 4.440 4.340 0.000 0.000 0.281 239 R C 1.163 177.664 176.300 0.335 0.000 1.050 239 R CA -0.844 55.407 56.100 0.252 0.000 1.055 239 R CB 0.700 31.104 30.300 0.173 0.000 1.045 239 R HN 0.507 nan 8.270 nan 0.000 0.495 240 N N 1.215 120.030 118.700 0.190 0.000 2.084 240 N HA -0.115 4.625 4.740 0.000 0.000 0.190 240 N C -0.349 175.245 175.510 0.141 0.000 1.030 240 N CA 1.408 54.557 53.050 0.166 0.000 0.849 240 N CB 0.151 38.696 38.487 0.097 0.000 1.012 240 N HN 0.516 nan 8.380 nan 0.000 0.423 241 D N 0.703 121.147 120.400 0.073 0.000 2.540 241 D HA 0.480 5.120 4.640 0.000 0.000 0.251 241 D C -0.624 175.572 176.300 -0.173 0.000 1.159 241 D CA 0.058 54.066 54.000 0.015 0.000 0.974 241 D CB 0.690 41.480 40.800 -0.016 0.000 0.996 241 D HN 0.121 nan 8.370 nan 0.000 0.512 242 A N 0.377 123.149 122.820 -0.081 0.000 2.605 242 A HA 0.492 4.812 4.320 0.000 0.000 0.294 242 A C -0.412 177.088 177.584 -0.140 0.000 1.062 242 A CA -0.729 51.224 52.037 -0.140 0.000 0.682 242 A CB 1.194 20.179 19.000 -0.025 0.000 1.278 242 A HN 0.086 nan 8.150 nan 0.000 0.410 243 S N 1.014 116.754 115.700 0.066 0.000 2.531 243 S HA 0.343 4.813 4.470 0.000 0.000 0.279 243 S C -0.450 174.136 174.600 -0.023 0.000 1.305 243 S CA 0.225 58.419 58.200 -0.011 0.000 1.058 243 S CB -0.239 63.099 63.200 0.230 0.000 0.899 243 S HN 0.598 nan 8.310 nan 0.000 0.493 244 H N 1.995 121.112 119.070 0.078 0.000 2.541 244 H HA 0.432 4.988 4.556 0.000 0.000 0.316 244 H C -0.552 174.793 175.328 0.027 0.000 1.043 244 H CA -0.666 55.395 56.048 0.021 0.000 1.232 244 H CB 0.555 30.034 29.762 -0.472 0.000 1.406 244 H HN 0.331 nan 8.280 nan 0.000 0.469 245 L N 4.249 125.692 121.223 0.366 0.000 2.313 245 L HA 0.290 4.630 4.340 0.000 0.000 0.283 245 L C -0.839 176.283 176.870 0.421 0.000 1.013 245 L CA -1.027 53.984 54.840 0.284 0.000 0.816 245 L CB 1.691 43.906 42.059 0.260 0.000 1.236 245 L HN 0.381 nan 8.230 nan 0.000 0.419 246 L N 5.166 126.558 121.223 0.282 0.000 2.301 246 L HA 0.405 4.745 4.340 0.000 0.000 0.278 246 L C -0.443 176.550 176.870 0.205 0.000 1.022 246 L CA -0.291 54.761 54.840 0.353 0.000 0.854 246 L CB 1.483 43.685 42.059 0.238 0.000 1.226 246 L HN 0.259 nan 8.230 nan 0.000 0.429 247 V N 6.158 126.187 119.914 0.192 0.000 2.368 247 V HA 0.231 4.351 4.120 0.000 0.000 0.266 247 V C -0.214 175.880 176.094 0.000 0.000 1.045 247 V CA -0.289 62.045 62.300 0.057 0.000 0.899 247 V CB 0.458 32.276 31.823 -0.008 0.000 1.006 247 V HN 0.608 nan 8.190 nan 0.000 0.470 248 F N 5.540 125.449 119.950 -0.068 0.000 2.361 248 F HA 0.575 5.102 4.527 0.000 0.000 0.364 248 F C 0.622 176.420 175.800 -0.004 0.000 1.120 248 F CA -0.340 57.669 58.000 0.014 0.000 1.102 248 F CB 1.227 40.296 39.000 0.115 0.000 1.183 248 F HN 0.544 nan 8.300 nan 0.000 0.476 249 T N 2.495 116.802 114.554 -0.413 0.000 2.779 249 T HA 0.657 5.007 4.350 0.000 0.000 0.280 249 T C -0.385 174.090 174.700 -0.374 0.000 0.987 249 T CA -0.541 61.370 62.100 -0.315 0.000 0.966 249 T CB 1.574 70.289 68.868 -0.255 0.000 0.933 249 T HN 0.712 nan 8.240 nan 0.000 0.442 250 T N 1.224 115.637 114.554 -0.234 0.000 2.802 250 T HA 0.459 4.809 4.350 0.000 0.000 0.311 250 T C -1.084 173.587 174.700 -0.049 0.000 1.405 250 T CA -0.521 61.493 62.100 -0.142 0.000 1.016 250 T CB 1.719 70.548 68.868 -0.066 0.000 1.352 250 T HN 0.760 nan 8.240 nan 0.000 0.498 251 D N 0.644 121.045 120.400 0.001 0.000 2.479 251 D HA 0.539 5.179 4.640 0.000 0.000 0.218 251 D C 0.180 176.526 176.300 0.077 0.000 1.177 251 D CA -0.217 53.805 54.000 0.038 0.000 0.830 251 D CB 0.400 41.216 40.800 0.027 0.000 1.014 251 D HN 0.629 nan 8.370 nan 0.000 0.503 252 A N -0.068 122.822 122.820 0.116 0.000 2.532 252 A HA 0.633 4.953 4.320 0.000 0.000 0.290 252 A C -0.388 177.311 177.584 0.191 0.000 1.143 252 A CA -0.946 51.160 52.037 0.116 0.000 0.728 252 A CB 1.526 20.569 19.000 0.070 0.000 1.317 252 A HN -0.023 nan 8.150 nan 0.000 0.414 253 K N -0.290 120.149 120.400 0.066 0.000 2.132 253 K HA 0.493 4.813 4.320 0.000 0.000 0.240 253 K C -0.131 176.420 176.600 -0.081 0.000 1.036 253 K CA 0.132 56.405 56.287 -0.024 0.000 0.888 253 K CB 0.491 32.921 32.500 -0.116 0.000 1.071 253 K HN 0.577 nan 8.250 nan 0.000 0.502 254 T N 0.330 114.741 114.554 -0.238 0.000 2.876 254 T HA 0.190 4.540 4.350 0.000 0.000 0.289 254 T C -1.011 173.335 174.700 -0.590 0.000 1.014 254 T CA -0.811 61.024 62.100 -0.443 0.000 0.986 254 T CB 0.524 68.938 68.868 -0.756 0.000 1.021 254 T HN 0.367 nan 8.240 nan 0.000 0.458 255 H N 3.397 122.094 119.070 -0.622 0.000 2.707 255 H HA 0.470 5.026 4.556 0.000 0.000 0.359 255 H C 0.483 175.315 175.328 -0.828 0.000 1.113 255 H CA 0.129 55.682 56.048 -0.825 0.000 1.422 255 H CB 0.600 29.465 29.762 -1.495 0.000 1.443 255 H HN 0.628 nan 8.280 nan 0.000 0.591 256 I N -1.341 118.994 120.570 -0.393 0.000 3.145 256 I HA 0.645 4.815 4.170 0.000 0.000 0.313 256 I C -0.043 176.094 176.117 0.034 0.000 1.122 256 I CA -1.631 59.585 61.300 -0.139 0.000 0.987 256 I CB 1.635 39.588 38.000 -0.079 0.000 1.236 256 I HN 0.473 nan 8.210 nan 0.000 0.453 257 A N 3.063 125.966 122.820 0.138 0.000 2.584 257 A HA 0.345 4.665 4.320 0.000 0.000 0.239 257 A C 0.819 178.478 177.584 0.125 0.000 1.043 257 A CA 0.532 52.667 52.037 0.163 0.000 0.756 257 A CB -0.494 18.576 19.000 0.117 0.000 0.963 257 A HN 1.103 nan 8.150 nan 0.000 0.511 258 L N 0.078 121.387 121.223 0.144 0.000 4.383 258 L HA -0.253 4.087 4.340 0.000 0.000 0.402 258 L C 0.857 177.801 176.870 0.124 0.000 0.803 258 L CA 0.939 55.845 54.840 0.110 0.000 2.175 258 L CB -1.539 40.565 42.059 0.075 0.000 1.434 258 L HN 0.713 nan 8.230 nan 0.000 0.591 259 D N 0.687 121.182 120.400 0.159 0.000 2.178 259 D HA -0.039 4.601 4.640 0.000 0.000 0.202 259 D C 1.983 178.431 176.300 0.247 0.000 0.974 259 D CA 1.476 55.574 54.000 0.163 0.000 0.841 259 D CB -0.183 40.645 40.800 0.048 0.000 0.953 259 D HN 0.551 nan 8.370 nan 0.000 0.478 260 G N 0.563 109.554 108.800 0.319 0.000 2.499 260 G HA2 -0.332 3.628 3.960 0.000 0.000 0.221 260 G HA3 -0.332 3.628 3.960 0.000 0.000 0.221 260 G C 1.621 176.592 174.900 0.119 0.000 1.109 260 G CA 0.524 45.752 45.100 0.213 0.000 0.749 260 G HN 0.250 nan 8.290 nan 0.000 0.568 261 R N -0.573 119.983 120.500 0.094 0.000 2.193 261 R HA 0.054 4.394 4.340 0.000 0.000 0.229 261 R C 2.073 178.386 176.300 0.023 0.000 1.110 261 R CA 0.492 56.620 56.100 0.046 0.000 0.988 261 R CB -0.236 30.089 30.300 0.042 0.000 0.871 261 R HN 0.331 nan 8.270 nan 0.000 0.458 262 L N -0.070 121.176 121.223 0.038 0.000 2.353 262 L HA -0.068 4.272 4.340 0.000 0.000 0.220 262 L C 1.779 178.569 176.870 -0.135 0.000 1.133 262 L CA 1.549 56.370 54.840 -0.031 0.000 0.798 262 L CB -0.128 41.928 42.059 -0.006 0.000 0.922 262 L HN 0.196 nan 8.230 nan 0.000 0.445 263 A N -1.499 121.260 122.820 -0.101 0.000 2.465 263 A HA 0.536 4.856 4.320 0.000 0.000 0.255 263 A C 1.612 179.159 177.584 -0.062 0.000 1.274 263 A CA 0.409 52.362 52.037 -0.141 0.000 0.920 263 A CB -0.364 18.583 19.000 -0.088 0.000 1.033 263 A HN 0.398 nan 8.150 nan 0.000 0.516 264 G N -0.364 108.412 108.800 -0.039 0.000 2.148 264 G HA2 -0.233 3.727 3.960 0.000 0.000 0.254 264 G HA3 -0.233 3.727 3.960 0.000 0.000 0.254 264 G C 0.048 174.937 174.900 -0.018 0.000 0.981 264 G CA 0.437 45.521 45.100 -0.026 0.000 0.670 264 G HN 0.518 nan 8.290 nan 0.000 0.528 265 I N 1.227 121.791 120.570 -0.011 0.000 2.304 265 I HA 0.385 4.555 4.170 0.000 0.000 0.291 265 I C 1.504 177.620 176.117 -0.002 0.000 1.018 265 I CA -0.429 60.860 61.300 -0.019 0.000 1.260 265 I CB 1.551 39.527 38.000 -0.040 0.000 1.390 265 I HN 0.097 nan 8.210 nan 0.000 0.475 266 V N 1.519 121.431 119.914 -0.004 0.000 3.604 266 V HA 0.168 4.288 4.120 0.000 0.000 0.277 266 V C 0.851 176.949 176.094 0.006 0.000 1.399 266 V CA -0.139 62.166 62.300 0.008 0.000 1.034 266 V CB -0.216 31.611 31.823 0.007 0.000 0.824 266 V HN 0.770 nan 8.190 nan 0.000 0.439 267 Q N 2.508 122.304 119.800 -0.006 0.000 2.255 267 Q HA 0.196 4.536 4.340 0.000 0.000 0.280 267 Q C -2.301 173.703 176.000 0.007 0.000 1.068 267 Q CA -1.419 54.382 55.803 -0.004 0.000 0.911 267 Q CB 0.887 29.613 28.738 -0.020 0.000 1.157 267 Q HN 0.366 nan 8.270 nan 0.000 0.380 268 P HA -0.066 nan 4.420 nan 0.000 0.269 268 P C -0.545 176.779 177.300 0.040 0.000 1.215 268 P CA -0.182 62.938 63.100 0.033 0.000 0.780 268 P CB 0.461 32.181 31.700 0.033 0.000 0.898 269 N N 2.318 121.051 118.700 0.056 0.000 2.454 269 N HA -0.064 4.676 4.740 0.000 0.000 0.260 269 N C 0.477 176.034 175.510 0.078 0.000 1.218 269 N CA 0.243 53.340 53.050 0.078 0.000 0.904 269 N CB 0.453 38.992 38.487 0.087 0.000 1.065 269 N HN 0.404 nan 8.380 nan 0.000 0.462 270 D N 2.231 122.699 120.400 0.114 0.000 2.339 270 D HA 0.090 4.730 4.640 0.000 0.000 0.217 270 D C 1.104 177.457 176.300 0.088 0.000 1.050 270 D CA 0.477 54.541 54.000 0.107 0.000 0.856 270 D CB -0.294 40.594 40.800 0.146 0.000 0.922 270 D HN 0.716 nan 8.370 nan 0.000 0.518 271 G N 0.012 108.864 108.800 0.087 0.000 2.155 271 G HA2 -0.268 3.692 3.960 0.000 0.000 0.257 271 G HA3 -0.268 3.692 3.960 0.000 0.000 0.257 271 G C 0.035 174.945 174.900 0.017 0.000 0.983 271 G CA 0.230 45.352 45.100 0.036 0.000 0.676 271 G HN 0.395 nan 8.290 nan 0.000 0.528 272 Q N -0.946 118.878 119.800 0.040 0.000 2.241 272 Q HA 0.557 4.897 4.340 0.000 0.000 0.262 272 Q C 0.476 176.377 176.000 -0.164 0.000 1.014 272 Q CA -0.780 54.975 55.803 -0.080 0.000 0.885 272 Q CB 1.552 30.208 28.738 -0.138 0.000 1.311 272 Q HN 0.449 nan 8.270 nan 0.000 0.461 273 c N 2.445 120.917 118.600 -0.213 0.000 2.576 273 c HA 0.231 4.801 4.570 0.000 0.000 0.401 273 c C 0.313 174.228 174.090 -0.292 0.000 1.314 273 c CA 0.062 56.304 56.329 -0.144 0.000 1.855 273 c CB -0.910 41.552 42.510 -0.079 0.000 2.537 273 c HN 0.652 nan 8.230 nan 0.000 0.578 274 H N 3.891 123.087 119.070 0.209 0.000 2.637 274 H HA 0.240 4.796 4.556 0.000 0.000 0.245 274 H C -0.606 174.899 175.328 0.296 0.000 1.190 274 H CA -0.025 56.172 56.048 0.247 0.000 0.934 274 H CB 0.444 30.387 29.762 0.302 0.000 1.950 274 H HN 0.442 nan 8.280 nan 0.000 0.614 275 V N 1.411 121.501 119.914 0.293 0.000 2.311 275 V HA 0.430 4.550 4.120 0.000 0.000 0.275 275 V C 0.945 177.126 176.094 0.145 0.000 1.022 275 V CA -0.447 62.000 62.300 0.245 0.000 0.830 275 V CB 1.283 33.239 31.823 0.222 0.000 1.012 275 V HN 0.500 nan 8.190 nan 0.000 0.452 276 G N 3.017 111.902 108.800 0.141 0.000 2.773 276 G HA2 0.313 4.273 3.960 0.000 0.000 0.186 276 G HA3 0.313 4.273 3.960 0.000 0.000 0.186 276 G C 1.239 176.191 174.900 0.087 0.000 1.411 276 G CA 0.454 45.612 45.100 0.097 0.000 1.054 276 G HN 0.706 nan 8.290 nan 0.000 0.579 277 S N 0.013 115.755 115.700 0.070 0.000 2.428 277 S HA -0.131 4.339 4.470 0.000 0.000 0.230 277 S C 1.582 176.224 174.600 0.071 0.000 1.014 277 S CA 1.797 60.034 58.200 0.061 0.000 0.957 277 S CB -0.267 62.959 63.200 0.044 0.000 0.784 277 S HN 0.614 nan 8.310 nan 0.000 0.499 278 D N 1.108 121.558 120.400 0.084 0.000 2.363 278 D HA -0.014 4.626 4.640 0.000 0.000 0.226 278 D C 0.288 176.698 176.300 0.184 0.000 1.020 278 D CA 0.261 54.324 54.000 0.104 0.000 0.892 278 D CB -0.894 39.947 40.800 0.068 0.000 0.900 278 D HN 0.268 nan 8.370 nan 0.000 0.531 279 N N -0.308 118.482 118.700 0.151 0.000 2.828 279 N HA -0.186 4.554 4.740 0.000 0.000 0.248 279 N C -0.904 174.622 175.510 0.026 0.000 1.044 279 N CA 0.740 53.856 53.050 0.110 0.000 0.851 279 N CB -1.778 36.753 38.487 0.073 0.000 1.136 279 N HN 0.600 nan 8.380 nan 0.000 0.572 280 H N -0.652 118.438 119.070 0.033 0.000 2.533 280 H HA 0.175 4.731 4.556 0.000 0.000 0.343 280 H C -0.354 175.095 175.328 0.202 0.000 1.160 280 H CA -0.588 55.501 56.048 0.070 0.000 1.218 280 H CB 1.061 30.869 29.762 0.077 0.000 1.566 280 H HN 0.021 nan 8.280 nan 0.000 0.522 281 Y N 2.788 123.229 120.300 0.234 0.000 2.637 281 Y HA -0.063 4.487 4.550 0.000 0.000 0.350 281 Y C 1.199 177.228 175.900 0.215 0.000 1.069 281 Y CA -0.783 57.482 58.100 0.275 0.000 1.397 281 Y CB 0.333 39.015 38.460 0.370 0.000 1.163 281 Y HN 0.547 nan 8.280 nan 0.000 0.527 282 S N 3.285 119.038 115.700 0.087 0.000 2.527 282 S HA 0.071 4.541 4.470 0.000 0.000 0.222 282 S C 1.509 175.933 174.600 -0.292 0.000 0.985 282 S CA 0.327 58.495 58.200 -0.053 0.000 0.921 282 S CB -0.089 63.139 63.200 0.047 0.000 0.772 282 S HN 0.695 nan 8.310 nan 0.000 0.529 283 A N 1.033 123.449 122.820 -0.672 0.000 2.345 283 A HA 0.463 4.783 4.320 0.000 0.000 0.225 283 A C 1.937 179.046 177.584 -0.793 0.000 1.243 283 A CA 0.501 52.109 52.037 -0.714 0.000 0.875 283 A CB -0.686 17.860 19.000 -0.757 0.000 0.929 283 A HN 0.468 nan 8.150 nan 0.000 0.502 284 S N 0.686 115.816 115.700 -0.950 0.000 2.380 284 S HA -0.203 4.267 4.470 0.000 0.000 0.229 284 S C 2.067 176.537 174.600 -0.217 0.000 1.043 284 S CA 2.659 60.597 58.200 -0.436 0.000 1.038 284 S CB -0.375 62.768 63.200 -0.094 0.000 0.872 284 S HN 0.830 nan 8.310 nan 0.000 0.456 285 T N -1.995 112.453 114.554 -0.176 0.000 3.107 285 T HA 0.148 4.498 4.350 0.000 0.000 0.249 285 T C 1.247 175.879 174.700 -0.113 0.000 1.096 285 T CA 0.992 63.032 62.100 -0.099 0.000 1.012 285 T CB 0.022 68.859 68.868 -0.053 0.000 0.977 285 T HN 0.517 nan 8.240 nan 0.000 0.527 286 T N -1.687 112.769 114.554 -0.164 0.000 3.043 286 T HA 0.490 4.841 4.350 0.000 0.000 0.272 286 T C -0.001 174.618 174.700 -0.134 0.000 0.990 286 T CA -0.618 61.400 62.100 -0.136 0.000 0.897 286 T CB -0.006 68.776 68.868 -0.144 0.000 1.111 286 T HN 0.407 nan 8.240 nan 0.000 0.529 287 M N 1.820 121.326 119.600 -0.156 0.000 2.446 287 M HA 0.510 4.990 4.480 0.000 0.000 0.294 287 M C -1.735 174.500 176.300 -0.107 0.000 1.158 287 M CA -0.667 54.569 55.300 -0.106 0.000 0.899 287 M CB 2.245 34.783 32.600 -0.103 0.000 1.687 287 M HN -0.120 nan 8.290 nan 0.000 0.455 288 D N 1.952 122.316 120.400 -0.060 0.000 2.361 288 D HA 0.135 4.775 4.640 0.000 0.000 0.239 288 D C -1.019 175.250 176.300 -0.052 0.000 1.200 288 D CA 0.527 54.486 54.000 -0.069 0.000 0.915 288 D CB 0.522 41.343 40.800 0.035 0.000 1.170 288 D HN 0.416 nan 8.370 nan 0.000 0.444 289 Y N 0.769 121.107 120.300 0.063 0.000 2.652 289 Y HA 0.140 4.690 4.550 0.000 0.000 0.344 289 Y C -1.296 174.651 175.900 0.079 0.000 1.254 289 Y CA -1.010 57.137 58.100 0.079 0.000 1.480 289 Y CB -0.292 38.203 38.460 0.057 0.000 1.345 289 Y HN 0.233 nan 8.280 nan 0.000 0.617 290 P HA 0.101 nan 4.420 nan 0.000 0.277 290 P C -0.735 176.635 177.300 0.116 0.000 1.240 290 P CA -0.583 62.592 63.100 0.124 0.000 0.798 290 P CB 1.336 33.067 31.700 0.052 0.000 0.979 291 S N 1.893 117.628 115.700 0.058 0.000 2.632 291 S HA 0.203 4.673 4.470 0.000 0.000 0.267 291 S C 1.605 176.186 174.600 -0.031 0.000 1.276 291 S CA -0.672 57.550 58.200 0.036 0.000 0.998 291 S CB 0.014 63.230 63.200 0.028 0.000 0.953 291 S HN 0.350 nan 8.310 nan 0.000 0.547 292 L N 1.460 122.657 121.223 -0.043 0.000 2.083 292 L HA 0.009 4.349 4.340 0.000 0.000 0.209 292 L C 2.841 179.657 176.870 -0.090 0.000 1.083 292 L CA 1.475 56.250 54.840 -0.109 0.000 0.752 292 L CB -1.401 40.624 42.059 -0.056 0.000 0.899 292 L HN 0.971 nan 8.230 nan 0.000 0.433 293 G N 0.239 109.011 108.800 -0.047 0.000 2.418 293 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 293 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 293 G C 1.579 176.447 174.900 -0.054 0.000 1.158 293 G CA 0.592 45.667 45.100 -0.041 0.000 0.771 293 G HN 0.193 nan 8.290 nan 0.000 0.545 294 L N 0.327 121.520 121.223 -0.050 0.000 2.056 294 L HA 0.167 4.507 4.340 0.000 0.000 0.207 294 L C 2.871 179.688 176.870 -0.089 0.000 1.078 294 L CA 1.529 56.338 54.840 -0.052 0.000 0.749 294 L CB -0.410 41.632 42.059 -0.027 0.000 0.901 294 L HN 0.233 nan 8.230 nan 0.000 0.433 295 M N -1.474 118.048 119.600 -0.130 0.000 2.086 295 M HA -0.212 4.268 4.480 0.000 0.000 0.261 295 M C 2.030 178.223 176.300 -0.177 0.000 1.067 295 M CA 2.321 57.505 55.300 -0.194 0.000 1.116 295 M CB -0.716 31.694 32.600 -0.318 0.000 1.348 295 M HN 0.225 nan 8.290 nan 0.000 0.407 296 T N -0.113 114.351 114.554 -0.150 0.000 2.720 296 T HA -0.212 4.138 4.350 0.000 0.000 0.268 296 T C 1.657 176.295 174.700 -0.104 0.000 1.037 296 T CA 1.697 63.723 62.100 -0.123 0.000 1.144 296 T CB -0.337 68.478 68.868 -0.089 0.000 0.864 296 T HN 0.504 nan 8.240 nan 0.000 0.444 297 E N 0.670 120.818 120.200 -0.086 0.000 2.051 297 E HA -0.201 4.149 4.350 0.000 0.000 0.192 297 E C 2.049 178.599 176.600 -0.083 0.000 0.991 297 E CA 0.991 57.348 56.400 -0.071 0.000 0.799 297 E CB 0.086 29.754 29.700 -0.054 0.000 0.748 297 E HN 0.196 nan 8.360 nan 0.000 0.449 298 K N 0.481 120.822 120.400 -0.097 0.000 2.103 298 K HA -0.068 4.252 4.320 0.000 0.000 0.204 298 K C 2.358 178.874 176.600 -0.140 0.000 1.052 298 K CA 0.597 56.819 56.287 -0.108 0.000 0.945 298 K CB -0.462 31.972 32.500 -0.109 0.000 0.722 298 K HN 0.258 nan 8.250 nan 0.000 0.443 299 L N 0.872 121.999 121.223 -0.160 0.000 2.042 299 L HA -0.179 4.161 4.340 0.000 0.000 0.210 299 L C 2.684 179.461 176.870 -0.156 0.000 1.076 299 L CA 1.272 56.000 54.840 -0.187 0.000 0.749 299 L CB -0.492 41.448 42.059 -0.197 0.000 0.893 299 L HN 0.154 nan 8.230 nan 0.000 0.432 300 S N -0.894 114.735 115.700 -0.119 0.000 2.355 300 S HA -0.243 4.227 4.470 0.000 0.000 0.222 300 S C 2.010 176.564 174.600 -0.077 0.000 1.031 300 S CA 1.365 59.512 58.200 -0.089 0.000 0.993 300 S CB -0.125 63.032 63.200 -0.071 0.000 0.859 300 S HN 0.442 nan 8.310 nan 0.000 0.453 301 Q N 0.039 119.792 119.800 -0.079 0.000 2.084 301 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 301 Q C 1.168 177.121 176.000 -0.078 0.000 0.978 301 Q CA 1.176 56.939 55.803 -0.066 0.000 0.844 301 Q CB -0.033 28.667 28.738 -0.062 0.000 0.898 301 Q HN 0.312 nan 8.270 nan 0.000 0.426 302 K N 0.552 120.876 120.400 -0.127 0.000 2.404 302 K HA 0.030 4.350 4.320 0.000 0.000 0.194 302 K C 0.275 176.762 176.600 -0.188 0.000 1.023 302 K CA -0.033 56.144 56.287 -0.184 0.000 1.094 302 K CB 0.095 32.429 32.500 -0.277 0.000 0.841 302 K HN 0.250 nan 8.250 nan 0.000 0.523 303 N N 1.415 120.046 118.700 -0.114 0.000 2.756 303 N HA -0.166 4.574 4.740 0.000 0.000 0.248 303 N C -1.099 174.377 175.510 -0.057 0.000 1.062 303 N CA 0.432 53.455 53.050 -0.045 0.000 0.696 303 N CB -0.766 37.745 38.487 0.039 0.000 0.946 303 N HN 0.112 nan 8.380 nan 0.000 0.548 304 I N 1.335 121.780 120.570 -0.209 0.000 2.359 304 I HA 0.197 4.367 4.170 0.000 0.000 0.294 304 I C 0.406 176.411 176.117 -0.186 0.000 0.987 304 I CA -0.488 60.628 61.300 -0.306 0.000 1.225 304 I CB 1.242 38.960 38.000 -0.469 0.000 1.366 304 I HN 0.053 nan 8.210 nan 0.000 0.466 305 N N 5.553 124.177 118.700 -0.127 0.000 2.437 305 N HA 0.300 5.040 4.740 0.000 0.000 0.243 305 N C -0.460 174.989 175.510 -0.101 0.000 1.041 305 N CA -0.483 52.512 53.050 -0.091 0.000 0.940 305 N CB 1.000 39.469 38.487 -0.031 0.000 1.133 305 N HN 0.375 nan 8.380 nan 0.000 0.506 306 L N 3.720 124.833 121.223 -0.183 0.000 2.331 306 L HA 0.476 4.816 4.340 0.000 0.000 0.278 306 L C -0.884 175.816 176.870 -0.283 0.000 1.106 306 L CA -0.072 54.606 54.840 -0.270 0.000 0.824 306 L CB 0.362 42.141 42.059 -0.467 0.000 1.142 306 L HN 0.486 nan 8.230 nan 0.000 0.443 307 I N 5.560 126.013 120.570 -0.196 0.000 2.389 307 I HA 0.251 4.421 4.170 0.000 0.000 0.288 307 I C -1.006 175.084 176.117 -0.046 0.000 0.999 307 I CA -0.374 60.868 61.300 -0.097 0.000 1.129 307 I CB 1.094 39.113 38.000 0.031 0.000 1.288 307 I HN 0.383 nan 8.210 nan 0.000 0.444 308 F N 5.344 125.354 119.950 0.101 0.000 2.404 308 F HA 0.445 4.972 4.527 0.000 0.000 0.359 308 F C 0.758 176.598 175.800 0.068 0.000 1.134 308 F CA -0.756 57.310 58.000 0.110 0.000 1.160 308 F CB 0.945 40.011 39.000 0.111 0.000 1.186 308 F HN 0.429 nan 8.300 nan 0.000 0.526 309 A N 4.814 127.773 122.820 0.231 0.000 2.412 309 A HA 0.685 5.005 4.320 0.000 0.000 0.334 309 A C -0.575 177.041 177.584 0.053 0.000 1.419 309 A CA -0.486 51.620 52.037 0.115 0.000 0.930 309 A CB -0.050 18.988 19.000 0.063 0.000 1.149 309 A HN 0.632 nan 8.150 nan 0.000 0.515 310 V N 0.308 120.250 119.914 0.045 0.000 3.040 310 V HA 0.884 5.004 4.120 0.000 0.000 0.312 310 V C 0.165 176.286 176.094 0.045 0.000 1.115 310 V CA -0.272 62.023 62.300 -0.009 0.000 0.998 310 V CB 1.228 32.978 31.823 -0.121 0.000 1.042 310 V HN 0.870 nan 8.190 nan 0.000 0.433 311 T N -0.640 113.942 114.554 0.047 0.000 2.813 311 T HA 0.283 4.633 4.350 0.000 0.000 0.297 311 T C 1.035 175.776 174.700 0.068 0.000 1.036 311 T CA 0.444 62.578 62.100 0.056 0.000 1.044 311 T CB 0.872 69.769 68.868 0.049 0.000 0.993 311 T HN 1.115 nan 8.240 nan 0.000 0.535 312 E N 1.409 121.644 120.200 0.057 0.000 2.153 312 E HA -0.270 4.080 4.350 0.000 0.000 0.194 312 E C 1.668 178.299 176.600 0.052 0.000 0.988 312 E CA 1.340 57.773 56.400 0.054 0.000 0.811 312 E CB -0.392 29.334 29.700 0.043 0.000 0.746 312 E HN 0.753 nan 8.360 nan 0.000 0.466 313 N N 1.869 120.600 118.700 0.051 0.000 2.289 313 N HA -0.138 4.602 4.740 0.000 0.000 0.184 313 N C 1.756 177.297 175.510 0.052 0.000 1.016 313 N CA 1.915 54.991 53.050 0.043 0.000 0.872 313 N CB -0.061 38.449 38.487 0.039 0.000 0.973 313 N HN 0.383 nan 8.380 nan 0.000 0.433 314 V N -3.493 116.478 119.914 0.094 0.000 3.276 314 V HA 0.298 4.418 4.120 0.000 0.000 0.319 314 V C 1.893 178.102 176.094 0.192 0.000 1.427 314 V CA -0.374 62.010 62.300 0.140 0.000 1.102 314 V CB -0.162 31.828 31.823 0.278 0.000 1.020 314 V HN -0.012 nan 8.190 nan 0.000 0.456 315 V N 2.138 122.132 119.914 0.132 0.000 2.343 315 V HA -0.210 3.910 4.120 0.000 0.000 0.247 315 V C 2.504 178.650 176.094 0.087 0.000 1.051 315 V CA 2.877 65.257 62.300 0.134 0.000 1.036 315 V CB -0.446 31.434 31.823 0.095 0.000 0.654 315 V HN 0.671 nan 8.190 nan 0.000 0.451 316 N N 0.031 118.745 118.700 0.024 0.000 2.120 316 N HA -0.147 4.593 4.740 0.000 0.000 0.188 316 N C 1.619 177.061 175.510 -0.114 0.000 1.024 316 N CA 1.731 54.763 53.050 -0.030 0.000 0.852 316 N CB -0.685 37.776 38.487 -0.043 0.000 1.003 316 N HN 0.468 nan 8.380 nan 0.000 0.424 317 L N 0.238 121.351 121.223 -0.183 0.000 1.990 317 L HA -0.185 4.155 4.340 0.000 0.000 0.213 317 L C 1.761 178.292 176.870 -0.566 0.000 1.072 317 L CA 1.741 56.311 54.840 -0.451 0.000 0.755 317 L CB -0.904 40.857 42.059 -0.497 0.000 0.889 317 L HN 0.131 nan 8.230 nan 0.000 0.432 318 Y N -0.393 119.787 120.300 -0.200 0.000 2.314 318 Y HA -0.138 4.412 4.550 0.000 0.000 0.293 318 Y C 2.694 178.569 175.900 -0.041 0.000 1.129 318 Y CA 1.332 59.306 58.100 -0.209 0.000 1.201 318 Y CB -0.422 37.866 38.460 -0.287 0.000 0.999 318 Y HN 0.350 nan 8.280 nan 0.000 0.541 319 Q N -0.088 119.779 119.800 0.112 0.000 2.135 319 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 319 Q C 1.674 177.708 176.000 0.056 0.000 0.981 319 Q CA 1.568 57.436 55.803 0.109 0.000 0.856 319 Q CB -0.150 28.626 28.738 0.064 0.000 0.902 319 Q HN 0.473 nan 8.270 nan 0.000 0.425 320 N N -0.617 118.043 118.700 -0.066 0.000 2.250 320 N HA -0.112 4.628 4.740 0.000 0.000 0.181 320 N C 1.398 176.887 175.510 -0.034 0.000 1.017 320 N CA 0.974 53.963 53.050 -0.102 0.000 0.866 320 N CB -0.290 38.062 38.487 -0.224 0.000 0.985 320 N HN 0.263 nan 8.380 nan 0.000 0.429 321 Y N 1.284 121.567 120.300 -0.028 0.000 2.165 321 Y HA -0.097 4.453 4.550 0.000 0.000 0.286 321 Y C 2.762 178.755 175.900 0.154 0.000 1.155 321 Y CA 0.559 58.678 58.100 0.031 0.000 1.164 321 Y CB -1.023 37.416 38.460 -0.036 0.000 0.978 321 Y HN 0.032 nan 8.280 nan 0.000 0.513 322 S N -0.177 115.755 115.700 0.387 0.000 2.387 322 S HA -0.238 4.232 4.470 0.000 0.000 0.230 322 S C 1.856 176.561 174.600 0.175 0.000 1.035 322 S CA 1.694 60.096 58.200 0.337 0.000 1.014 322 S CB -0.247 63.143 63.200 0.316 0.000 0.836 322 S HN 0.592 nan 8.310 nan 0.000 0.466 323 E N 0.058 120.335 120.200 0.129 0.000 2.268 323 E HA -0.008 4.342 4.350 0.000 0.000 0.195 323 E C 1.573 178.214 176.600 0.068 0.000 0.995 323 E CA 0.791 57.236 56.400 0.075 0.000 0.836 323 E CB -0.072 29.657 29.700 0.048 0.000 0.763 323 E HN 0.509 nan 8.360 nan 0.000 0.491 324 L N 0.402 121.684 121.223 0.098 0.000 2.592 324 L HA 0.188 4.528 4.340 0.000 0.000 0.227 324 L C 0.594 177.495 176.870 0.053 0.000 1.127 324 L CA 0.116 55.003 54.840 0.078 0.000 0.884 324 L CB 0.439 42.565 42.059 0.112 0.000 1.065 324 L HN 0.037 nan 8.230 nan 0.000 0.457 325 I N 0.681 121.288 120.570 0.061 0.000 2.750 325 I HA 0.261 4.431 4.170 0.000 0.000 0.279 325 I C -2.391 173.722 176.117 -0.007 0.000 1.206 325 I CA -1.731 59.573 61.300 0.006 0.000 1.101 325 I CB 0.947 38.942 38.000 -0.008 0.000 1.431 325 I HN -0.188 nan 8.210 nan 0.000 0.551 326 P HA 0.094 nan 4.420 nan 0.000 0.266 326 P C 1.088 178.366 177.300 -0.036 0.000 1.195 326 P CA 0.818 63.908 63.100 -0.016 0.000 0.768 326 P CB 0.725 32.412 31.700 -0.022 0.000 0.838 327 G N 1.007 109.790 108.800 -0.029 0.000 2.195 327 G HA2 -0.216 3.744 3.960 0.000 0.000 0.246 327 G HA3 -0.216 3.744 3.960 0.000 0.000 0.246 327 G C 0.315 175.182 174.900 -0.055 0.000 0.984 327 G CA 0.149 45.224 45.100 -0.041 0.000 0.633 327 G HN 0.630 nan 8.290 nan 0.000 0.525 328 T N 1.795 116.315 114.554 -0.057 0.000 2.907 328 T HA 0.546 4.896 4.350 0.000 0.000 0.298 328 T C 0.643 175.334 174.700 -0.016 0.000 1.017 328 T CA 0.871 62.913 62.100 -0.096 0.000 1.118 328 T CB 1.506 70.306 68.868 -0.114 0.000 0.948 328 T HN 1.041 nan 8.240 nan 0.000 0.531 329 T N -0.649 113.890 114.554 -0.026 0.000 2.908 329 T HA 0.728 5.078 4.350 0.000 0.000 0.290 329 T C -0.774 173.998 174.700 0.120 0.000 1.034 329 T CA -0.765 61.366 62.100 0.051 0.000 1.010 329 T CB 1.269 70.159 68.868 0.036 0.000 1.068 329 T HN 0.293 nan 8.240 nan 0.000 0.481 330 V N 1.323 121.334 119.914 0.163 0.000 2.604 330 V HA 0.877 4.997 4.120 0.000 0.000 0.305 330 V C 0.592 176.776 176.094 0.150 0.000 1.043 330 V CA -0.551 61.880 62.300 0.218 0.000 0.888 330 V CB 1.717 33.689 31.823 0.247 0.000 0.995 330 V HN 1.344 nan 8.190 nan 0.000 0.429 331 G N 1.982 110.871 108.800 0.148 0.000 2.620 331 G HA2 0.597 4.557 3.960 0.000 0.000 0.301 331 G HA3 0.597 4.557 3.960 0.000 0.000 0.301 331 G C -1.353 173.610 174.900 0.105 0.000 1.347 331 G CA -0.616 44.551 45.100 0.112 0.000 0.971 331 G HN 0.521 nan 8.290 nan 0.000 0.488 332 V N 2.318 122.284 119.914 0.086 0.000 2.372 332 V HA 0.231 4.351 4.120 0.000 0.000 0.261 332 V C 0.204 176.340 176.094 0.070 0.000 1.055 332 V CA -0.503 61.843 62.300 0.076 0.000 0.930 332 V CB 0.690 32.553 31.823 0.066 0.000 1.031 332 V HN 0.607 nan 8.190 nan 0.000 0.479 333 L N 6.161 127.424 121.223 0.068 0.000 2.349 333 L HA 0.438 4.778 4.340 0.000 0.000 0.275 333 L C 0.922 177.826 176.870 0.057 0.000 1.115 333 L CA 0.705 55.583 54.840 0.064 0.000 0.820 333 L CB 1.524 43.616 42.059 0.055 0.000 1.135 333 L HN 0.817 nan 8.230 nan 0.000 0.445 334 S N 4.783 120.518 115.700 0.058 0.000 2.608 334 S HA 0.142 4.612 4.470 0.000 0.000 0.261 334 S C 1.110 175.740 174.600 0.050 0.000 1.314 334 S CA -0.634 57.597 58.200 0.052 0.000 0.992 334 S CB 0.605 63.835 63.200 0.051 0.000 0.935 334 S HN 0.682 nan 8.310 nan 0.000 0.564 335 M N 1.375 121.001 119.600 0.043 0.000 2.549 335 M HA -0.009 4.471 4.480 0.000 0.000 0.260 335 M C 0.517 176.841 176.300 0.040 0.000 1.076 335 M CA 0.992 56.315 55.300 0.039 0.000 1.090 335 M CB -1.492 31.128 32.600 0.033 0.000 1.418 335 M HN 0.907 nan 8.290 nan 0.000 0.486 336 D N -2.283 118.146 120.400 0.050 0.000 2.535 336 D HA 0.150 4.790 4.640 0.000 0.000 0.229 336 D C 0.217 176.563 176.300 0.077 0.000 1.238 336 D CA -0.062 53.975 54.000 0.061 0.000 0.824 336 D CB -0.092 40.747 40.800 0.064 0.000 1.045 336 D HN 0.017 nan 8.370 nan 0.000 0.500 337 S N -0.705 115.042 115.700 0.078 0.000 3.445 337 S HA -0.266 4.204 4.470 0.000 0.000 0.319 337 S C 1.441 176.097 174.600 0.094 0.000 1.209 337 S CA 0.964 59.225 58.200 0.102 0.000 0.934 337 S CB -2.085 61.201 63.200 0.143 0.000 0.999 337 S HN 0.654 nan 8.310 nan 0.000 0.582 338 S N 1.542 117.286 115.700 0.074 0.000 2.474 338 S HA -0.112 4.358 4.470 0.000 0.000 0.235 338 S C 1.241 175.874 174.600 0.056 0.000 0.997 338 S CA 0.881 59.117 58.200 0.061 0.000 0.949 338 S CB -0.312 62.921 63.200 0.055 0.000 0.766 338 S HN 0.843 nan 8.310 nan 0.000 0.517 339 N N 0.893 119.631 118.700 0.064 0.000 2.238 339 N HA 0.124 4.864 4.740 0.000 0.000 0.222 339 N C 0.996 176.552 175.510 0.076 0.000 1.133 339 N CA 0.005 53.091 53.050 0.061 0.000 0.854 339 N CB 0.062 38.583 38.487 0.057 0.000 1.041 339 N HN 0.291 nan 8.380 nan 0.000 0.510 340 V N 0.349 120.323 119.914 0.099 0.000 2.667 340 V HA -0.078 4.042 4.120 0.000 0.000 0.252 340 V C 2.022 178.189 176.094 0.122 0.000 1.065 340 V CA 0.799 63.181 62.300 0.138 0.000 1.083 340 V CB -0.435 31.526 31.823 0.231 0.000 0.692 340 V HN 0.308 nan 8.190 nan 0.000 0.468 341 L N 0.434 121.704 121.223 0.078 0.000 1.994 341 L HA -0.164 4.176 4.340 0.000 0.000 0.208 341 L C 2.401 179.302 176.870 0.052 0.000 1.071 341 L CA 2.682 57.550 54.840 0.046 0.000 0.745 341 L CB -1.139 40.926 42.059 0.010 0.000 0.892 341 L HN 0.424 nan 8.230 nan 0.000 0.431 342 Q N -0.453 119.378 119.800 0.051 0.000 2.170 342 Q HA -0.195 4.145 4.340 0.000 0.000 0.203 342 Q C 2.269 178.310 176.000 0.068 0.000 0.976 342 Q CA 2.064 57.898 55.803 0.053 0.000 0.858 342 Q CB -0.605 28.160 28.738 0.046 0.000 0.907 342 Q HN 0.652 nan 8.270 nan 0.000 0.433 343 L N -0.692 120.577 121.223 0.078 0.000 2.083 343 L HA -0.128 4.212 4.340 0.000 0.000 0.209 343 L C 1.946 178.876 176.870 0.099 0.000 1.083 343 L CA 1.162 56.054 54.840 0.088 0.000 0.752 343 L CB -0.132 41.983 42.059 0.093 0.000 0.899 343 L HN 0.310 nan 8.230 nan 0.000 0.433 344 I N -1.213 119.420 120.570 0.105 0.000 2.286 344 I HA -0.238 3.932 4.170 0.000 0.000 0.245 344 I C 2.370 178.562 176.117 0.124 0.000 1.104 344 I CA 0.902 62.271 61.300 0.116 0.000 1.397 344 I CB -0.189 37.878 38.000 0.113 0.000 1.072 344 I HN 0.062 nan 8.210 nan 0.000 0.417 345 V N 0.830 120.804 119.914 0.099 0.000 2.343 345 V HA -0.289 3.831 4.120 0.000 0.000 0.247 345 V C 2.002 178.186 176.094 0.150 0.000 1.051 345 V CA 1.943 64.314 62.300 0.119 0.000 1.036 345 V CB -0.692 31.176 31.823 0.076 0.000 0.654 345 V HN 0.394 nan 8.190 nan 0.000 0.451 346 D N 0.456 120.922 120.400 0.110 0.000 2.117 346 D HA -0.080 4.560 4.640 0.000 0.000 0.198 346 D C 2.247 178.603 176.300 0.093 0.000 0.982 346 D CA 1.586 55.640 54.000 0.091 0.000 0.828 346 D CB -0.393 40.450 40.800 0.072 0.000 0.967 346 D HN 0.426 nan 8.370 nan 0.000 0.464 347 A N 0.257 123.143 122.820 0.109 0.000 1.902 347 A HA -0.232 4.088 4.320 0.000 0.000 0.217 347 A C 2.202 179.855 177.584 0.116 0.000 1.181 347 A CA 1.328 53.425 52.037 0.101 0.000 0.623 347 A CB -1.132 17.932 19.000 0.107 0.000 0.818 347 A HN 0.322 nan 8.150 nan 0.000 0.443 348 Y N 0.973 121.297 120.300 0.039 0.000 2.165 348 Y HA -0.137 4.413 4.550 0.000 0.000 0.286 348 Y C 2.438 178.353 175.900 0.026 0.000 1.155 348 Y CA 1.537 59.657 58.100 0.034 0.000 1.164 348 Y CB -0.822 37.662 38.460 0.040 0.000 0.978 348 Y HN 0.217 nan 8.280 nan 0.000 0.513 349 G N -0.347 108.452 108.800 -0.002 0.000 2.422 349 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 349 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 349 G C 1.744 176.589 174.900 -0.092 0.000 1.146 349 G CA 0.945 45.997 45.100 -0.081 0.000 0.769 349 G HN 0.395 nan 8.290 nan 0.000 0.547 350 K N -0.227 120.151 120.400 -0.038 0.000 2.097 350 K HA 0.116 4.436 4.320 0.000 0.000 0.205 350 K C 2.432 178.999 176.600 -0.055 0.000 1.050 350 K CA 0.606 56.877 56.287 -0.027 0.000 0.938 350 K CB -0.202 32.303 32.500 0.007 0.000 0.718 350 K HN 0.336 nan 8.250 nan 0.000 0.442 351 I N 0.693 121.214 120.570 -0.082 0.000 2.286 351 I HA -0.245 3.925 4.170 0.000 0.000 0.248 351 I C 1.337 177.372 176.117 -0.136 0.000 1.115 351 I CA 1.262 62.505 61.300 -0.095 0.000 1.392 351 I CB 0.028 37.978 38.000 -0.083 0.000 1.065 351 I HN 0.049 nan 8.210 nan 0.000 0.418 352 R N 0.132 120.490 120.500 -0.236 0.000 2.702 352 R HA 0.127 4.467 4.340 0.000 0.000 0.314 352 R C 1.092 177.322 176.300 -0.118 0.000 1.152 352 R CA 0.285 56.255 56.100 -0.217 0.000 1.097 352 R CB 0.081 30.145 30.300 -0.394 0.000 1.343 352 R HN 0.306 nan 8.270 nan 0.000 0.575 353 S N -0.817 114.840 115.700 -0.071 0.000 2.578 353 S HA 0.225 4.695 4.470 0.000 0.000 0.231 353 S C 0.295 174.891 174.600 -0.007 0.000 0.994 353 S CA -0.434 57.745 58.200 -0.035 0.000 0.956 353 S CB 0.429 63.610 63.200 -0.032 0.000 0.870 353 S HN 0.066 nan 8.310 nan 0.000 0.494 354 K N 0.692 121.096 120.400 0.008 0.000 2.426 354 K HA 0.709 5.029 4.320 0.000 0.000 0.251 354 K C -1.722 174.907 176.600 0.050 0.000 0.941 354 K CA -0.822 55.478 56.287 0.021 0.000 0.808 354 K CB 2.653 35.157 32.500 0.007 0.000 1.265 354 K HN 0.002 nan 8.250 nan 0.000 0.432 355 V N 1.795 121.729 119.914 0.033 0.000 2.483 355 V HA 0.282 4.402 4.120 0.000 0.000 0.297 355 V C -0.911 175.158 176.094 -0.041 0.000 1.027 355 V CA -0.628 61.663 62.300 -0.015 0.000 0.855 355 V CB 1.609 33.444 31.823 0.019 0.000 0.995 355 V HN 0.793 nan 8.190 nan 0.000 0.424 356 E N 5.035 125.149 120.200 -0.143 0.000 2.244 356 E HA 0.495 4.845 4.350 0.000 0.000 0.260 356 E C -1.274 175.146 176.600 -0.300 0.000 0.884 356 E CA -0.633 55.652 56.400 -0.192 0.000 0.777 356 E CB 1.492 31.114 29.700 -0.130 0.000 1.197 356 E HN 0.617 nan 8.360 nan 0.000 0.416 357 L N 3.449 124.396 121.223 -0.460 0.000 2.380 357 L HA 0.323 4.663 4.340 0.000 0.000 0.273 357 L C 0.300 176.953 176.870 -0.361 0.000 1.138 357 L CA 0.266 54.813 54.840 -0.488 0.000 0.832 357 L CB 0.854 42.460 42.059 -0.755 0.000 1.124 357 L HN 0.621 nan 8.230 nan 0.000 0.454 358 E N 1.637 121.698 120.200 -0.233 0.000 2.266 358 E HA 0.511 4.861 4.350 0.000 0.000 0.268 358 E C -1.585 174.978 176.600 -0.062 0.000 0.879 358 E CA -0.682 55.632 56.400 -0.144 0.000 0.762 358 E CB 2.498 32.140 29.700 -0.097 0.000 1.199 358 E HN 0.260 nan 8.360 nan 0.000 0.422 359 V N 4.403 124.306 119.914 -0.018 0.000 2.409 359 V HA 0.476 4.596 4.120 0.000 0.000 0.291 359 V C -0.223 175.912 176.094 0.069 0.000 1.020 359 V CA -0.660 61.688 62.300 0.080 0.000 0.848 359 V CB 1.375 33.260 31.823 0.104 0.000 0.990 359 V HN 0.622 nan 8.190 nan 0.000 0.430 360 R N 2.941 123.509 120.500 0.114 0.000 2.589 360 R HA 0.483 4.823 4.340 0.000 0.000 0.293 360 R C -0.498 175.883 176.300 0.135 0.000 0.963 360 R CA -0.680 55.474 56.100 0.090 0.000 0.905 360 R CB 1.142 31.483 30.300 0.068 0.000 1.144 360 R HN 0.765 nan 8.270 nan 0.000 0.459 361 D N 1.202 121.654 120.400 0.087 0.000 2.800 361 D HA -0.180 4.460 4.640 0.000 0.000 0.232 361 D C -0.556 175.808 176.300 0.106 0.000 1.137 361 D CA 0.698 54.756 54.000 0.096 0.000 0.718 361 D CB -0.819 40.050 40.800 0.115 0.000 1.084 361 D HN 0.206 nan 8.370 nan 0.000 0.432 362 L N 1.110 122.338 121.223 0.008 0.000 2.418 362 L HA 0.284 4.624 4.340 0.000 0.000 0.274 362 L C -1.798 175.023 176.870 -0.080 0.000 1.135 362 L CA -0.766 53.978 54.840 -0.161 0.000 0.870 362 L CB 0.279 42.194 42.059 -0.239 0.000 1.154 362 L HN -0.225 nan 8.230 nan 0.000 0.462 363 P HA 0.003 nan 4.420 nan 0.000 0.266 363 P C 0.360 177.640 177.300 -0.034 0.000 1.195 363 P CA -0.031 63.073 63.100 0.006 0.000 0.768 363 P CB 0.667 32.424 31.700 0.095 0.000 0.838 364 E N 3.976 124.158 120.200 -0.030 0.000 2.086 364 E HA -0.316 4.034 4.350 0.000 0.000 0.205 364 E C 1.495 178.066 176.600 -0.049 0.000 1.027 364 E CA 2.212 58.588 56.400 -0.040 0.000 0.830 364 E CB -0.467 29.211 29.700 -0.038 0.000 0.751 364 E HN 0.568 nan 8.360 nan 0.000 0.456 365 E N 0.701 120.865 120.200 -0.060 0.000 2.204 365 E HA -0.141 4.209 4.350 0.000 0.000 0.194 365 E C 0.608 177.186 176.600 -0.036 0.000 0.989 365 E CA 0.471 56.827 56.400 -0.074 0.000 0.824 365 E CB -0.467 29.139 29.700 -0.157 0.000 0.756 365 E HN 0.375 nan 8.360 nan 0.000 0.477 366 L N 2.270 123.485 121.223 -0.013 0.000 2.371 366 L HA 0.170 4.511 4.340 0.000 0.000 0.272 366 L C 0.196 177.025 176.870 -0.069 0.000 1.124 366 L CA -0.360 54.470 54.840 -0.016 0.000 0.816 366 L CB 1.180 43.212 42.059 -0.044 0.000 1.129 366 L HN 0.082 nan 8.230 nan 0.000 0.448 367 S N 3.642 119.305 115.700 -0.061 0.000 2.547 367 S HA 0.722 5.192 4.470 0.000 0.000 0.281 367 S C -0.890 173.652 174.600 -0.096 0.000 1.118 367 S CA -0.959 57.198 58.200 -0.072 0.000 0.947 367 S CB 1.658 64.831 63.200 -0.044 0.000 1.053 367 S HN 0.420 nan 8.310 nan 0.000 0.482 368 L N 2.561 123.710 121.223 -0.124 0.000 2.331 368 L HA 0.784 5.124 4.340 0.000 0.000 0.275 368 L C 0.119 176.824 176.870 -0.276 0.000 1.022 368 L CA -0.694 53.990 54.840 -0.259 0.000 0.812 368 L CB 2.159 44.005 42.059 -0.355 0.000 1.257 368 L HN 0.967 nan 8.230 nan 0.000 0.435 369 S N 0.486 115.924 115.700 -0.437 0.000 2.568 369 S HA 0.813 5.283 4.470 0.000 0.000 0.293 369 S C -1.045 173.226 174.600 -0.547 0.000 1.089 369 S CA -0.711 57.314 58.200 -0.291 0.000 0.945 369 S CB 1.768 64.891 63.200 -0.128 0.000 1.077 369 S HN 0.295 nan 8.310 nan 0.000 0.485 370 F N 0.849 120.766 119.950 -0.055 0.000 2.556 370 F HA 0.564 5.091 4.527 0.000 0.000 0.314 370 F C -0.213 175.595 175.800 0.013 0.000 1.106 370 F CA -0.778 57.200 58.000 -0.036 0.000 0.911 370 F CB 2.090 41.057 39.000 -0.055 0.000 1.190 370 F HN 0.483 nan 8.300 nan 0.000 0.448 371 N N 1.664 120.486 118.700 0.203 0.000 2.314 371 N HA 0.687 5.427 4.740 0.000 0.000 0.294 371 N C -1.080 174.546 175.510 0.193 0.000 1.029 371 N CA -0.664 52.475 53.050 0.148 0.000 0.845 371 N CB 2.147 40.667 38.487 0.055 0.000 1.321 371 N HN 0.702 nan 8.380 nan 0.000 0.481 372 A N 1.044 123.954 122.820 0.150 0.000 2.305 372 A HA 0.679 4.999 4.320 0.000 0.000 0.322 372 A C -0.308 177.196 177.584 -0.133 0.000 1.187 372 A CA -0.416 51.638 52.037 0.030 0.000 0.825 372 A CB 0.485 19.576 19.000 0.153 0.000 1.164 372 A HN 0.470 nan 8.150 nan 0.000 0.498 373 T N 2.434 116.802 114.554 -0.311 0.000 2.963 373 T HA 0.441 4.791 4.350 0.000 0.000 0.343 373 T C -0.277 174.272 174.700 -0.252 0.000 1.146 373 T CA -0.236 61.730 62.100 -0.223 0.000 1.016 373 T CB -0.471 68.287 68.868 -0.183 0.000 1.046 373 T HN 0.751 nan 8.240 nan 0.000 0.496 374 c N 2.068 120.568 118.600 -0.167 0.000 2.531 374 c HA 0.727 5.297 4.570 0.000 0.000 0.369 374 c C 1.666 175.709 174.090 -0.079 0.000 1.258 374 c CA -1.050 55.203 56.329 -0.126 0.000 1.876 374 c CB 0.110 42.566 42.510 -0.090 0.000 2.256 374 c HN 0.972 nan 8.230 nan 0.000 0.510 375 L N -0.197 120.990 121.223 -0.059 0.000 3.683 375 L HA -0.330 4.010 4.340 0.000 0.000 0.053 375 L C 0.738 177.585 176.870 -0.038 0.000 4.276 375 L CA 2.252 57.069 54.840 -0.040 0.000 0.727 375 L CB -1.008 41.032 42.059 -0.031 0.000 3.467 375 L HN 0.883 nan 8.230 nan 0.000 0.839 376 N N 0.425 119.102 118.700 -0.037 0.000 2.599 376 N HA 0.221 4.961 4.740 0.000 0.000 0.309 376 N C -0.260 175.230 175.510 -0.033 0.000 1.743 376 N CA 0.105 53.137 53.050 -0.030 0.000 0.918 376 N CB 0.085 38.558 38.487 -0.022 0.000 1.339 376 N HN 0.406 nan 8.380 nan 0.000 0.493 377 N N 0.264 118.938 118.700 -0.044 0.000 2.696 377 N HA -0.256 4.484 4.740 0.000 0.000 0.249 377 N C -0.755 174.729 175.510 -0.043 0.000 1.090 377 N CA 0.850 53.872 53.050 -0.046 0.000 0.716 377 N CB -0.965 37.501 38.487 -0.035 0.000 1.020 377 N HN 0.706 nan 8.380 nan 0.000 0.548 378 E N 0.216 120.388 120.200 -0.046 0.000 2.133 378 E HA 0.370 4.720 4.350 0.000 0.000 0.274 378 E C -0.529 176.046 176.600 -0.042 0.000 0.930 378 E CA -0.624 55.755 56.400 -0.036 0.000 0.770 378 E CB 1.122 30.804 29.700 -0.029 0.000 1.104 378 E HN -0.019 nan 8.360 nan 0.000 0.403 379 V N 6.803 126.698 119.914 -0.032 0.000 2.408 379 V HA 0.191 4.311 4.120 0.000 0.000 0.267 379 V C 0.223 176.310 176.094 -0.012 0.000 1.047 379 V CA -0.139 62.145 62.300 -0.027 0.000 0.937 379 V CB 0.608 32.420 31.823 -0.019 0.000 0.999 379 V HN 0.646 nan 8.190 nan 0.000 0.472 380 I N 8.729 129.296 120.570 -0.005 0.000 2.337 380 I HA 0.322 4.492 4.170 0.000 0.000 0.285 380 I C -2.095 174.043 176.117 0.035 0.000 1.041 380 I CA -1.846 59.462 61.300 0.012 0.000 1.199 380 I CB 1.702 39.710 38.000 0.013 0.000 1.370 380 I HN 0.434 nan 8.210 nan 0.000 0.470 381 P HA 0.140 nan 4.420 nan 0.000 0.274 381 P C 0.567 177.899 177.300 0.053 0.000 1.231 381 P CA 0.209 63.335 63.100 0.042 0.000 0.790 381 P CB 1.079 32.792 31.700 0.023 0.000 0.951 382 G N 0.330 109.175 108.800 0.075 0.000 2.272 382 G HA2 -0.159 3.801 3.960 0.000 0.000 0.280 382 G HA3 -0.159 3.801 3.960 0.000 0.000 0.280 382 G C -0.643 174.304 174.900 0.079 0.000 1.067 382 G CA 0.086 45.234 45.100 0.079 0.000 0.902 382 G HN 0.618 nan 8.290 nan 0.000 0.500 383 L N -0.891 120.399 121.223 0.111 0.000 2.493 383 L HA 0.711 5.051 4.340 0.000 0.000 0.265 383 L C 0.297 177.219 176.870 0.086 0.000 0.954 383 L CA -0.511 54.372 54.840 0.072 0.000 0.844 383 L CB 1.501 43.605 42.059 0.074 0.000 1.302 383 L HN 0.237 nan 8.230 nan 0.000 0.405 384 K N 1.396 121.725 120.400 -0.118 0.000 2.564 384 K HA 0.488 4.808 4.320 0.000 0.000 0.205 384 K C -0.674 175.703 176.600 -0.372 0.000 1.053 384 K CA -0.080 55.944 56.287 -0.439 0.000 1.072 384 K CB 0.616 32.477 32.500 -1.064 0.000 0.822 384 K HN 0.444 nan 8.250 nan 0.000 0.497 385 S N -0.324 115.371 115.700 -0.009 0.000 2.536 385 S HA 0.545 5.015 4.470 0.000 0.000 0.271 385 S C -0.663 174.021 174.600 0.140 0.000 1.134 385 S CA -0.805 57.421 58.200 0.043 0.000 0.897 385 S CB 1.260 64.423 63.200 -0.061 0.000 1.094 385 S HN 0.237 nan 8.310 nan 0.000 0.473 386 c N 3.430 122.118 118.600 0.146 0.000 2.435 386 c HA 0.811 5.381 4.570 0.000 0.000 0.333 386 c C 0.092 174.200 174.090 0.030 0.000 1.202 386 c CA -0.590 55.779 56.329 0.065 0.000 1.830 386 c CB 0.778 43.302 42.510 0.024 0.000 2.326 386 c HN 0.955 nan 8.230 nan 0.000 0.507 387 M N 0.916 120.523 119.600 0.011 0.000 2.719 387 M HA 0.559 5.039 4.480 0.000 0.000 0.291 387 M C 0.921 177.219 176.300 -0.002 0.000 1.264 387 M CA -0.042 55.260 55.300 0.004 0.000 0.811 387 M CB 1.626 34.227 32.600 0.003 0.000 1.756 387 M HN 0.930 nan 8.290 nan 0.000 0.464 388 G N 0.994 109.792 108.800 -0.003 0.000 2.179 388 G HA2 -0.200 3.760 3.960 0.000 0.000 0.257 388 G HA3 -0.200 3.760 3.960 0.000 0.000 0.257 388 G C -0.638 174.257 174.900 -0.008 0.000 1.010 388 G CA -0.193 44.904 45.100 -0.005 0.000 0.736 388 G HN 0.377 nan 8.290 nan 0.000 0.513 389 L N -0.013 121.205 121.223 -0.009 0.000 2.436 389 L HA 0.554 4.894 4.340 0.000 0.000 0.265 389 L C 0.864 177.725 176.870 -0.014 0.000 1.168 389 L CA 0.003 54.837 54.840 -0.010 0.000 0.815 389 L CB 0.644 42.702 42.059 -0.003 0.000 1.109 389 L HN -0.002 nan 8.230 nan 0.000 0.462 390 K N 1.471 121.864 120.400 -0.012 0.000 2.168 390 K HA 0.485 4.805 4.320 0.000 0.000 0.239 390 K C -0.491 176.101 176.600 -0.014 0.000 0.999 390 K CA -0.946 55.334 56.287 -0.012 0.000 0.900 390 K CB 1.345 33.844 32.500 -0.002 0.000 1.111 390 K HN 0.283 nan 8.250 nan 0.000 0.452 391 I N 1.390 121.951 120.570 -0.016 0.000 2.683 391 I HA -0.004 4.166 4.170 0.000 0.000 0.286 391 I C 1.504 177.626 176.117 0.008 0.000 1.175 391 I CA 1.239 62.533 61.300 -0.010 0.000 1.429 391 I CB -0.541 37.467 38.000 0.013 0.000 1.371 391 I HN 0.980 nan 8.210 nan 0.000 0.569 392 G N 5.251 114.057 108.800 0.010 0.000 2.259 392 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 392 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 392 G C 0.166 175.073 174.900 0.012 0.000 1.001 392 G CA -0.372 44.738 45.100 0.015 0.000 0.627 392 G HN 0.517 nan 8.290 nan 0.000 0.501 393 D N 1.505 121.909 120.400 0.006 0.000 2.400 393 D HA 0.525 5.165 4.640 0.000 0.000 0.238 393 D C 0.479 176.782 176.300 0.004 0.000 1.157 393 D CA 1.001 55.001 54.000 0.000 0.000 0.889 393 D CB 0.980 41.776 40.800 -0.006 0.000 1.199 393 D HN 0.185 nan 8.370 nan 0.000 0.436 394 T N 0.241 114.789 114.554 -0.011 0.000 2.876 394 T HA 0.600 4.950 4.350 0.000 0.000 0.289 394 T C -0.214 174.451 174.700 -0.059 0.000 1.014 394 T CA -0.778 61.312 62.100 -0.017 0.000 0.986 394 T CB 1.542 70.403 68.868 -0.011 0.000 1.021 394 T HN 0.244 nan 8.240 nan 0.000 0.458 395 V N -0.430 119.430 119.914 -0.090 0.000 3.130 395 V HA 1.035 5.155 4.120 0.000 0.000 0.310 395 V C -0.641 175.291 176.094 -0.270 0.000 1.158 395 V CA -1.082 61.091 62.300 -0.212 0.000 1.029 395 V CB 1.935 33.589 31.823 -0.282 0.000 1.057 395 V HN 1.067 nan 8.190 nan 0.000 0.436 396 S N 0.577 116.006 115.700 -0.452 0.000 2.564 396 S HA 0.893 5.363 4.470 0.000 0.000 0.274 396 S C -1.387 172.841 174.600 -0.620 0.000 1.124 396 S CA -0.611 57.376 58.200 -0.355 0.000 0.869 396 S CB 1.764 64.876 63.200 -0.147 0.000 1.105 396 S HN 0.834 nan 8.310 nan 0.000 0.472 397 F N 0.718 120.667 119.950 -0.003 0.000 2.540 397 F HA 0.652 5.179 4.527 0.000 0.000 0.317 397 F C 0.571 176.353 175.800 -0.030 0.000 1.104 397 F CA -0.709 57.298 58.000 0.012 0.000 0.913 397 F CB 2.362 41.406 39.000 0.073 0.000 1.170 397 F HN 0.652 nan 8.300 nan 0.000 0.450 398 S N 3.844 119.606 115.700 0.104 0.000 2.513 398 S HA 0.709 5.179 4.470 0.000 0.000 0.276 398 S C -0.626 173.888 174.600 -0.145 0.000 1.254 398 S CA -0.349 57.830 58.200 -0.036 0.000 1.053 398 S CB 0.009 63.185 63.200 -0.040 0.000 0.958 398 S HN 0.483 nan 8.310 nan 0.000 0.491 399 I N 3.795 124.113 120.570 -0.419 0.000 2.498 399 I HA 0.413 4.583 4.170 0.000 0.000 0.290 399 I C -0.275 175.408 176.117 -0.723 0.000 1.032 399 I CA -0.596 60.255 61.300 -0.749 0.000 1.073 399 I CB 2.097 39.427 38.000 -1.117 0.000 1.251 399 I HN 0.600 nan 8.210 nan 0.000 0.426 400 E N 5.179 125.079 120.200 -0.500 0.000 2.165 400 E HA 0.682 5.032 4.350 0.000 0.000 0.266 400 E C -1.194 175.305 176.600 -0.169 0.000 0.889 400 E CA -0.684 55.566 56.400 -0.249 0.000 0.756 400 E CB 1.783 31.389 29.700 -0.157 0.000 1.131 400 E HN 0.732 nan 8.360 nan 0.000 0.411 401 A N 5.353 128.189 122.820 0.026 0.000 2.274 401 A HA 0.382 4.702 4.320 0.000 0.000 0.309 401 A C -0.558 177.056 177.584 0.051 0.000 1.226 401 A CA -0.615 51.467 52.037 0.076 0.000 0.853 401 A CB 0.770 19.921 19.000 0.252 0.000 1.146 401 A HN 0.520 nan 8.150 nan 0.000 0.518 402 K N 3.162 123.572 120.400 0.017 0.000 2.358 402 K HA 0.473 4.793 4.320 0.000 0.000 0.260 402 K C -1.386 175.241 176.600 0.044 0.000 0.956 402 K CA -0.358 55.945 56.287 0.026 0.000 0.834 402 K CB 1.699 34.198 32.500 -0.001 0.000 1.102 402 K HN 0.527 nan 8.250 nan 0.000 0.431 403 V N 4.872 124.835 119.914 0.082 0.000 2.509 403 V HA 0.383 4.503 4.120 0.000 0.000 0.284 403 V C -0.404 175.705 176.094 0.024 0.000 1.047 403 V CA -0.607 61.749 62.300 0.092 0.000 0.952 403 V CB 1.254 33.212 31.823 0.226 0.000 0.988 403 V HN 0.770 nan 8.190 nan 0.000 0.469 404 R N 4.947 125.435 120.500 -0.019 0.000 2.229 404 R HA 0.594 4.934 4.340 0.000 0.000 0.332 404 R C 0.569 176.830 176.300 -0.065 0.000 0.989 404 R CA 0.706 56.786 56.100 -0.034 0.000 0.842 404 R CB 0.712 30.991 30.300 -0.036 0.000 1.119 404 R HN 1.313 nan 8.270 nan 0.000 0.456 405 G N 2.427 111.196 108.800 -0.051 0.000 2.552 405 G HA2 -0.326 3.634 3.960 0.000 0.000 0.265 405 G HA3 -0.326 3.634 3.960 0.000 0.000 0.265 405 G C -0.954 173.884 174.900 -0.103 0.000 1.234 405 G CA -0.019 45.041 45.100 -0.067 0.000 0.944 405 G HN 0.842 nan 8.290 nan 0.000 0.568 406 c N 2.922 121.438 118.600 -0.140 0.000 2.516 406 c HA 0.765 5.335 4.570 0.000 0.000 0.338 406 c C -1.810 172.121 174.090 -0.264 0.000 1.132 406 c CA -0.446 55.757 56.329 -0.211 0.000 1.310 406 c CB 0.761 43.207 42.510 -0.107 0.000 1.898 406 c HN 0.930 nan 8.230 nan 0.000 0.452 407 P HA 0.189 nan 4.420 nan 0.000 0.276 407 P C 0.391 177.570 177.300 -0.202 0.000 1.252 407 P CA 0.042 62.937 63.100 -0.342 0.000 0.802 407 P CB 0.749 32.147 31.700 -0.503 0.000 1.035 408 Q N 0.428 120.155 119.800 -0.122 0.000 2.050 408 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 408 Q C 0.051 176.035 176.000 -0.028 0.000 0.980 408 Q CA 1.319 57.084 55.803 -0.063 0.000 0.840 408 Q CB 0.070 28.781 28.738 -0.046 0.000 0.898 408 Q HN 0.535 nan 8.270 nan 0.000 0.424 409 E N 0.885 121.078 120.200 -0.012 0.000 2.259 409 E HA 0.040 4.390 4.350 0.000 0.000 0.281 409 E C 0.232 176.913 176.600 0.136 0.000 1.037 409 E CA -0.337 56.092 56.400 0.049 0.000 0.854 409 E CB 1.028 30.764 29.700 0.061 0.000 1.051 409 E HN 0.112 nan 8.360 nan 0.000 0.409 410 K N 1.940 122.431 120.400 0.153 0.000 2.400 410 K HA 0.084 4.404 4.320 0.000 0.000 0.194 410 K C -0.107 176.636 176.600 0.239 0.000 1.033 410 K CA 0.620 57.057 56.287 0.250 0.000 1.021 410 K CB 0.401 32.980 32.500 0.130 0.000 0.808 410 K HN 0.516 nan 8.250 nan 0.000 0.505 411 E N 1.019 121.311 120.200 0.154 0.000 2.218 411 E HA 0.319 4.669 4.350 0.000 0.000 0.263 411 E C -0.835 175.821 176.600 0.092 0.000 0.879 411 E CA -0.375 56.062 56.400 0.062 0.000 0.762 411 E CB 1.937 31.645 29.700 0.012 0.000 1.166 411 E HN -0.093 nan 8.360 nan 0.000 0.415 412 K N 0.857 121.304 120.400 0.078 0.000 2.480 412 K HA 0.591 4.911 4.320 0.000 0.000 0.258 412 K C -0.960 175.675 176.600 0.060 0.000 0.990 412 K CA -0.898 55.456 56.287 0.113 0.000 0.857 412 K CB 2.237 34.876 32.500 0.231 0.000 1.384 412 K HN 0.544 nan 8.250 nan 0.000 0.446 413 S N 0.439 116.188 115.700 0.081 0.000 2.564 413 S HA 0.818 5.288 4.470 0.000 0.000 0.274 413 S C -0.961 173.720 174.600 0.135 0.000 1.124 413 S CA -0.902 57.307 58.200 0.016 0.000 0.869 413 S CB 0.892 64.049 63.200 -0.072 0.000 1.105 413 S HN 0.590 nan 8.310 nan 0.000 0.472 414 F N -1.353 118.589 119.950 -0.014 0.000 2.664 414 F HA 0.893 5.420 4.527 0.000 0.000 0.317 414 F C -0.985 174.818 175.800 0.006 0.000 1.108 414 F CA -0.874 57.130 58.000 0.007 0.000 0.957 414 F CB 1.274 40.291 39.000 0.028 0.000 1.365 414 F HN 0.529 nan 8.300 nan 0.000 0.475 415 T N 3.242 117.913 114.554 0.195 0.000 2.824 415 T HA 0.579 4.929 4.350 0.000 0.000 0.282 415 T C -0.813 174.003 174.700 0.192 0.000 0.993 415 T CA -0.463 61.683 62.100 0.077 0.000 0.967 415 T CB 1.447 70.345 68.868 0.050 0.000 0.960 415 T HN 0.463 nan 8.240 nan 0.000 0.441 416 I N 3.431 124.084 120.570 0.138 0.000 2.330 416 I HA 0.464 4.634 4.170 0.000 0.000 0.289 416 I C 0.162 176.300 176.117 0.035 0.000 1.001 416 I CA -0.576 60.808 61.300 0.141 0.000 1.193 416 I CB 1.039 39.169 38.000 0.215 0.000 1.345 416 I HN 0.508 nan 8.210 nan 0.000 0.461 417 K N 8.322 128.714 120.400 -0.012 0.000 2.397 417 K HA 0.584 4.904 4.320 0.000 0.000 0.253 417 K C -2.834 173.683 176.600 -0.139 0.000 0.932 417 K CA -1.656 54.600 56.287 -0.051 0.000 0.795 417 K CB 2.894 35.389 32.500 -0.007 0.000 1.159 417 K HN 0.153 nan 8.250 nan 0.000 0.424 418 P HA -0.001 nan 4.420 nan 0.000 0.275 418 P C -0.460 176.737 177.300 -0.170 0.000 1.227 418 P CA -0.638 62.227 63.100 -0.391 0.000 0.781 418 P CB 0.755 31.867 31.700 -0.979 0.000 0.906 419 V N 0.289 120.139 119.914 -0.106 0.000 2.673 419 V HA 0.391 4.511 4.120 0.000 0.000 0.303 419 V C 1.418 177.596 176.094 0.140 0.000 1.046 419 V CA 0.685 62.985 62.300 -0.001 0.000 1.126 419 V CB -0.628 31.176 31.823 -0.032 0.000 0.934 419 V HN 0.981 nan 8.190 nan 0.000 0.487 420 G N 2.962 111.830 108.800 0.114 0.000 2.234 420 G HA2 -0.254 3.706 3.960 0.000 0.000 0.260 420 G HA3 -0.254 3.706 3.960 0.000 0.000 0.260 420 G C -0.235 174.737 174.900 0.119 0.000 0.987 420 G CA 0.417 45.576 45.100 0.099 0.000 0.625 420 G HN 0.869 nan 8.290 nan 0.000 0.532 421 F N 0.403 120.306 119.950 -0.079 0.000 2.375 421 F HA 0.674 5.201 4.527 0.000 0.000 0.333 421 F C 1.361 177.134 175.800 -0.046 0.000 1.104 421 F CA -0.488 57.461 58.000 -0.086 0.000 1.149 421 F CB 1.587 40.539 39.000 -0.081 0.000 1.190 421 F HN -0.020 nan 8.300 nan 0.000 0.533 422 K N 0.693 121.144 120.400 0.085 0.000 2.007 422 K HA -0.059 4.261 4.320 0.000 0.000 0.206 422 K C 0.075 176.739 176.600 0.106 0.000 1.047 422 K CA 1.247 57.586 56.287 0.087 0.000 0.937 422 K CB -0.114 32.437 32.500 0.086 0.000 0.718 422 K HN 0.514 nan 8.250 nan 0.000 0.438 423 D N -0.124 120.356 120.400 0.133 0.000 2.358 423 D HA 0.179 4.819 4.640 0.000 0.000 0.244 423 D C -0.150 176.207 176.300 0.095 0.000 1.163 423 D CA 0.237 54.302 54.000 0.109 0.000 0.945 423 D CB 1.412 42.279 40.800 0.112 0.000 1.152 423 D HN 0.358 nan 8.370 nan 0.000 0.451 424 S N -0.442 115.291 115.700 0.055 0.000 2.615 424 S HA 0.497 4.967 4.470 0.000 0.000 0.269 424 S C -1.497 173.112 174.600 0.015 0.000 1.161 424 S CA -1.029 57.188 58.200 0.029 0.000 0.817 424 S CB 1.264 64.477 63.200 0.023 0.000 1.131 424 S HN 0.241 nan 8.310 nan 0.000 0.467 425 L N 1.554 122.783 121.223 0.009 0.000 2.276 425 L HA 0.632 4.972 4.340 0.000 0.000 0.286 425 L C -1.148 175.677 176.870 -0.076 0.000 1.024 425 L CA -0.848 53.986 54.840 -0.011 0.000 0.826 425 L CB 0.199 42.284 42.059 0.044 0.000 1.211 425 L HN 0.751 nan 8.230 nan 0.000 0.422 426 I N 6.123 126.621 120.570 -0.121 0.000 2.312 426 I HA 0.252 4.422 4.170 0.000 0.000 0.291 426 I C -0.446 175.469 176.117 -0.336 0.000 1.031 426 I CA -0.618 60.562 61.300 -0.200 0.000 1.293 426 I CB 1.276 39.194 38.000 -0.137 0.000 1.403 426 I HN 0.276 nan 8.210 nan 0.000 0.484 427 V N 7.023 126.574 119.914 -0.606 0.000 2.364 427 V HA 0.205 4.325 4.120 0.000 0.000 0.272 427 V C 0.063 175.781 176.094 -0.626 0.000 1.036 427 V CA -0.613 61.216 62.300 -0.785 0.000 0.880 427 V CB 1.017 32.023 31.823 -1.363 0.000 0.991 427 V HN 0.682 nan 8.190 nan 0.000 0.460 428 Q N 3.715 123.277 119.800 -0.397 0.000 2.360 428 Q HA 0.511 4.851 4.340 0.000 0.000 0.254 428 Q C -0.833 175.008 176.000 -0.265 0.000 0.975 428 Q CA -0.400 55.243 55.803 -0.268 0.000 0.912 428 Q CB 2.022 30.644 28.738 -0.194 0.000 1.212 428 Q HN 0.635 nan 8.270 nan 0.000 0.452 429 V N 2.337 122.108 119.914 -0.238 0.000 2.532 429 V HA 0.447 4.567 4.120 0.000 0.000 0.295 429 V C 0.069 175.921 176.094 -0.404 0.000 1.041 429 V CA -0.528 61.568 62.300 -0.340 0.000 0.926 429 V CB 1.850 33.449 31.823 -0.373 0.000 0.992 429 V HN 0.710 nan 8.190 nan 0.000 0.457 430 T N 4.593 118.877 114.554 -0.450 0.000 2.840 430 T HA 0.559 4.909 4.350 0.000 0.000 0.287 430 T C -0.687 173.768 174.700 -0.410 0.000 0.991 430 T CA -0.125 61.773 62.100 -0.336 0.000 0.964 430 T CB 0.593 69.358 68.868 -0.171 0.000 0.954 430 T HN 0.306 nan 8.240 nan 0.000 0.438 431 F N 2.440 122.380 119.950 -0.016 0.000 2.413 431 F HA 0.282 4.809 4.527 0.000 0.000 0.359 431 F C 0.942 176.725 175.800 -0.027 0.000 1.122 431 F CA -0.810 57.179 58.000 -0.019 0.000 1.160 431 F CB 0.650 39.642 39.000 -0.013 0.000 1.146 431 F HN 0.409 nan 8.300 nan 0.000 0.514 432 D N 3.662 124.122 120.400 0.100 0.000 2.557 432 D HA 0.221 4.861 4.640 0.000 0.000 0.236 432 D C 0.083 176.404 176.300 0.035 0.000 1.154 432 D CA -0.136 53.886 54.000 0.036 0.000 0.985 432 D CB 0.304 41.095 40.800 -0.015 0.000 1.010 432 D HN 0.546 nan 8.370 nan 0.000 0.516 433 c N 1.427 120.053 118.600 0.043 0.000 3.070 433 c HA 0.278 4.848 4.570 0.000 0.000 0.280 433 c C 0.566 174.645 174.090 -0.018 0.000 1.264 433 c CA -0.624 55.713 56.329 0.013 0.000 1.690 433 c CB -0.370 42.148 42.510 0.012 0.000 2.049 433 c HN 0.406 nan 8.230 nan 0.000 0.636 434 D N 0.054 120.444 120.400 -0.017 0.000 2.268 434 D HA 0.370 5.010 4.640 0.000 0.000 0.249 434 D C -0.564 175.712 176.300 -0.041 0.000 1.008 434 D CA 0.061 54.039 54.000 -0.037 0.000 0.939 434 D CB 1.468 42.253 40.800 -0.024 0.000 1.170 434 D HN 0.204 nan 8.370 nan 0.000 0.468 435 c N 0.635 119.197 118.600 -0.063 0.000 2.366 435 c HA 0.506 5.076 4.570 0.000 0.000 0.345 435 c C 1.837 175.912 174.090 -0.025 0.000 1.209 435 c CA -0.539 55.761 56.329 -0.049 0.000 2.050 435 c CB 0.869 43.315 42.510 -0.106 0.000 2.359 435 c HN 0.787 nan 8.230 nan 0.000 0.527 436 A N 0.862 123.684 122.820 0.003 0.000 2.019 436 A HA -0.151 4.169 4.320 0.000 0.000 0.219 436 A C 1.940 179.533 177.584 0.015 0.000 1.164 436 A CA 2.131 54.175 52.037 0.012 0.000 0.644 436 A CB -0.796 18.220 19.000 0.027 0.000 0.805 436 A HN 1.111 nan 8.150 nan 0.000 0.449 437 c N -1.467 117.143 118.600 0.016 0.000 2.456 437 c HA 0.030 4.600 4.570 0.000 0.000 0.279 437 c C 2.334 176.423 174.090 -0.003 0.000 1.427 437 c CA 0.558 56.901 56.329 0.022 0.000 1.778 437 c CB -1.656 40.879 42.510 0.042 0.000 1.842 437 c HN 0.636 nan 8.230 nan 0.000 0.531 438 Q N 1.673 121.455 119.800 -0.030 0.000 2.119 438 Q HA -0.026 4.314 4.340 0.000 0.000 0.201 438 Q C 2.508 178.503 176.000 -0.008 0.000 0.972 438 Q CA 1.687 57.468 55.803 -0.036 0.000 0.847 438 Q CB -0.278 28.426 28.738 -0.056 0.000 0.903 438 Q HN 0.830 nan 8.270 nan 0.000 0.433 439 A N 1.244 124.064 122.820 0.001 0.000 2.209 439 A HA -0.133 4.187 4.320 0.000 0.000 0.212 439 A C 1.163 178.761 177.584 0.023 0.000 1.158 439 A CA 0.688 52.732 52.037 0.010 0.000 0.742 439 A CB -0.128 18.878 19.000 0.009 0.000 0.790 439 A HN 0.466 nan 8.150 nan 0.000 0.472 440 Q N -0.886 118.934 119.800 0.033 0.000 2.217 440 Q HA 0.677 5.017 4.340 0.000 0.000 0.340 440 Q C -0.021 176.023 176.000 0.073 0.000 0.893 440 Q CA -0.115 55.719 55.803 0.051 0.000 1.142 440 Q CB 0.174 28.945 28.738 0.057 0.000 1.288 440 Q HN 0.285 nan 8.270 nan 0.000 0.426 441 A N 1.165 124.021 122.820 0.060 0.000 2.332 441 A HA 0.307 4.627 4.320 0.000 0.000 0.258 441 A C -0.458 177.194 177.584 0.112 0.000 1.087 441 A CA -0.339 51.747 52.037 0.081 0.000 0.802 441 A CB 0.701 19.725 19.000 0.041 0.000 1.042 441 A HN 0.504 nan 8.150 nan 0.000 0.489 442 E N 1.917 122.219 120.200 0.170 0.000 2.101 442 E HA 0.369 4.719 4.350 0.000 0.000 0.260 442 E C -2.606 174.079 176.600 0.141 0.000 0.897 442 E CA -2.159 54.335 56.400 0.157 0.000 0.744 442 E CB 1.189 31.001 29.700 0.187 0.000 1.140 442 E HN 0.465 nan 8.360 nan 0.000 0.419 443 P HA 0.146 nan 4.420 nan 0.000 0.281 443 P C -0.807 176.548 177.300 0.091 0.000 1.249 443 P CA -0.287 62.868 63.100 0.093 0.000 0.810 443 P CB 0.617 32.361 31.700 0.072 0.000 1.008 444 N N -1.784 116.974 118.700 0.097 0.000 2.727 444 N HA -0.150 4.590 4.740 0.000 0.000 0.251 444 N C -0.240 175.323 175.510 0.088 0.000 1.040 444 N CA 0.797 53.902 53.050 0.092 0.000 0.712 444 N CB -1.895 36.640 38.487 0.080 0.000 0.912 444 N HN 0.428 nan 8.380 nan 0.000 0.545 445 S N -1.003 114.755 115.700 0.096 0.000 2.545 445 S HA 0.146 4.616 4.470 0.000 0.000 0.275 445 S C 1.431 176.079 174.600 0.080 0.000 1.299 445 S CA -0.293 57.961 58.200 0.090 0.000 1.048 445 S CB 1.027 64.296 63.200 0.116 0.000 0.938 445 S HN 0.460 nan 8.310 nan 0.000 0.496 446 H N 4.378 123.438 119.070 -0.017 0.000 2.421 446 H HA 0.061 4.617 4.556 0.000 0.000 0.298 446 H C 1.946 177.253 175.328 -0.034 0.000 1.087 446 H CA 1.889 57.922 56.048 -0.026 0.000 1.330 446 H CB 0.192 29.931 29.762 -0.039 0.000 1.388 446 H HN 0.594 nan 8.280 nan 0.000 0.526 447 R N -0.970 119.488 120.500 -0.070 0.000 2.237 447 R HA 0.025 4.365 4.340 0.000 0.000 0.219 447 R C 0.028 176.305 176.300 -0.038 0.000 1.080 447 R CA 0.797 56.832 56.100 -0.107 0.000 0.995 447 R CB 0.063 30.250 30.300 -0.188 0.000 0.875 447 R HN 0.236 nan 8.270 nan 0.000 0.462 448 c N 2.043 120.638 118.600 -0.007 0.000 2.357 448 c HA 0.271 4.841 4.570 0.000 0.000 0.300 448 c C 0.217 174.283 174.090 -0.041 0.000 1.074 448 c CA -1.180 55.160 56.329 0.020 0.000 1.566 448 c CB -0.430 42.134 42.510 0.091 0.000 1.791 448 c HN 0.521 nan 8.230 nan 0.000 0.415 449 N N 2.720 121.373 118.700 -0.077 0.000 2.735 449 N HA -0.201 4.539 4.740 0.000 0.000 0.248 449 N C -0.189 175.260 175.510 -0.102 0.000 1.083 449 N CA 1.228 54.217 53.050 -0.101 0.000 0.703 449 N CB -1.447 36.966 38.487 -0.124 0.000 1.005 449 N HN 0.885 nan 8.380 nan 0.000 0.550 450 N N -1.300 117.328 118.700 -0.120 0.000 2.708 450 N HA -0.135 4.605 4.740 0.000 0.000 0.255 450 N C 0.964 176.465 175.510 -0.014 0.000 1.046 450 N CA 2.285 55.283 53.050 -0.086 0.000 0.715 450 N CB -1.437 37.013 38.487 -0.062 0.000 0.895 450 N HN 0.911 nan 8.380 nan 0.000 0.545 451 G N -1.424 107.379 108.800 0.005 0.000 2.195 451 G HA2 -0.384 3.576 3.960 0.000 0.000 0.246 451 G HA3 -0.384 3.576 3.960 0.000 0.000 0.246 451 G C 1.024 175.961 174.900 0.061 0.000 0.984 451 G CA 0.362 45.492 45.100 0.051 0.000 0.633 451 G HN 0.482 nan 8.290 nan 0.000 0.525 452 N N 1.101 119.806 118.700 0.008 0.000 2.216 452 N HA 0.070 4.810 4.740 0.000 0.000 0.183 452 N C 1.522 177.054 175.510 0.035 0.000 1.017 452 N CA 1.475 54.517 53.050 -0.013 0.000 0.861 452 N CB -0.094 38.239 38.487 -0.257 0.000 0.986 452 N HN 0.725 nan 8.380 nan 0.000 0.428 453 G N -0.751 108.058 108.800 0.016 0.000 2.601 453 G HA2 0.503 4.463 3.960 0.000 0.000 0.317 453 G HA3 0.503 4.463 3.960 0.000 0.000 0.317 453 G C -0.854 174.104 174.900 0.097 0.000 1.246 453 G CA -0.224 44.907 45.100 0.052 0.000 1.012 453 G HN -0.065 nan 8.290 nan 0.000 0.494 454 T N 0.139 114.755 114.554 0.103 0.000 2.823 454 T HA 0.387 4.737 4.350 0.000 0.000 0.279 454 T C -1.231 173.560 174.700 0.152 0.000 0.998 454 T CA -0.133 62.040 62.100 0.122 0.000 0.994 454 T CB 1.463 70.383 68.868 0.087 0.000 0.960 454 T HN 0.313 nan 8.240 nan 0.000 0.448 455 F N 4.419 124.391 119.950 0.037 0.000 2.350 455 F HA 0.400 4.927 4.527 0.000 0.000 0.365 455 F C 0.318 176.144 175.800 0.044 0.000 1.122 455 F CA -0.751 57.275 58.000 0.042 0.000 1.139 455 F CB 0.302 39.329 39.000 0.045 0.000 1.220 455 F HN 0.603 nan 8.300 nan 0.000 0.499 456 E N 3.891 123.904 120.200 -0.312 0.000 2.256 456 E HA 0.417 4.767 4.350 0.000 0.000 0.268 456 E C -0.281 176.127 176.600 -0.320 0.000 0.877 456 E CA -1.041 55.219 56.400 -0.233 0.000 0.757 456 E CB 1.126 30.756 29.700 -0.116 0.000 1.183 456 E HN 0.667 nan 8.360 nan 0.000 0.418 457 c N 3.242 121.726 118.600 -0.193 0.000 4.356 457 c HA -0.125 4.445 4.570 0.000 0.000 0.296 457 c C 1.568 175.698 174.090 0.067 0.000 1.424 457 c CA 0.888 57.215 56.329 -0.004 0.000 2.000 457 c CB -2.351 40.132 42.510 -0.044 0.000 1.262 457 c HN 1.404 nan 8.230 nan 0.000 0.789 458 G N -2.033 106.563 108.800 -0.340 0.000 2.358 458 G HA2 -0.078 3.882 3.960 0.000 0.000 0.224 458 G HA3 -0.078 3.882 3.960 0.000 0.000 0.224 458 G C 0.139 174.819 174.900 -0.366 0.000 1.073 458 G CA 0.270 45.217 45.100 -0.255 0.000 0.635 458 G HN 2.121 nan 8.290 nan 0.000 0.509 459 V N -1.378 118.384 119.914 -0.252 0.000 3.096 459 V HA 0.816 4.936 4.120 0.000 0.000 0.319 459 V C 0.741 176.735 176.094 -0.166 0.000 1.082 459 V CA -0.902 61.344 62.300 -0.090 0.000 1.022 459 V CB 1.542 33.431 31.823 0.109 0.000 1.103 459 V HN 0.690 nan 8.190 nan 0.000 0.455 460 c N 2.826 121.428 118.600 0.003 0.000 2.330 460 c HA 0.729 5.299 4.570 0.000 0.000 0.344 460 c C 0.266 174.364 174.090 0.014 0.000 1.273 460 c CA -0.515 55.840 56.329 0.044 0.000 1.879 460 c CB 0.048 42.613 42.510 0.092 0.000 2.376 460 c HN 0.849 nan 8.230 nan 0.000 0.534 461 R N 1.680 122.187 120.500 0.012 0.000 2.589 461 R HA 0.367 4.707 4.340 0.000 0.000 0.293 461 R C -0.632 175.688 176.300 0.034 0.000 0.963 461 R CA -0.489 55.617 56.100 0.010 0.000 0.905 461 R CB 1.240 31.535 30.300 -0.008 0.000 1.144 461 R HN 0.751 nan 8.270 nan 0.000 0.459 462 C N 2.185 121.508 119.300 0.038 0.000 2.596 462 C HA 0.181 4.641 4.460 0.000 0.000 0.414 462 C C 1.613 176.695 174.990 0.154 0.000 1.396 462 C CA 0.268 59.331 59.018 0.076 0.000 1.698 462 C CB -0.334 27.462 27.740 0.093 0.000 2.572 462 C HN 0.828 nan 8.230 nan 0.000 0.604 463 G N 4.955 113.913 108.800 0.264 0.000 2.588 463 G HA2 0.529 4.489 3.960 0.000 0.000 0.278 463 G HA3 0.529 4.489 3.960 0.000 0.000 0.278 463 G C -2.589 172.470 174.900 0.264 0.000 1.307 463 G CA -0.437 44.825 45.100 0.271 0.000 1.016 463 G HN 0.614 nan 8.290 nan 0.000 0.503 464 P HA 0.372 nan 4.420 nan 0.000 0.292 464 P C -0.445 176.753 177.300 -0.170 0.000 1.287 464 P CA -0.187 62.909 63.100 -0.008 0.000 0.800 464 P CB 1.669 33.363 31.700 -0.010 0.000 0.945 465 G N 2.775 111.360 108.800 -0.359 0.000 2.605 465 G HA2 0.499 4.459 3.960 0.000 0.000 0.304 465 G HA3 0.499 4.459 3.960 0.000 0.000 0.304 465 G C -1.504 173.176 174.900 -0.367 0.000 1.333 465 G CA -0.499 44.458 45.100 -0.238 0.000 0.973 465 G HN 0.377 nan 8.290 nan 0.000 0.507 466 W N 0.000 121.300 121.300 0.000 0.000 2.388 466 W HA 0.000 4.660 4.660 0.000 0.000 0.303 466 W CA 0.000 57.346 57.345 0.001 0.000 1.226 466 W CB 0.000 29.462 29.460 0.003 0.000 1.126 466 W HN 0.000 nan 8.180 nan 0.000 0.535