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 1t8m_1_A DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.158 174.090 0.114 0.000 1.270 1 c CA 0.000 56.404 56.329 0.125 0.000 1.963 1 c CB 0.000 42.554 42.510 0.074 0.000 2.134 2 G N 0.077 108.937 108.800 0.101 0.000 2.166 2 G HA2 -0.094 3.868 3.960 0.003 0.000 0.260 2 G HA3 -0.094 3.868 3.960 0.003 0.000 0.260 2 G C -0.163 174.989 174.900 0.420 0.000 0.986 2 G CA 0.561 45.747 45.100 0.144 0.000 0.683 2 G HN 1.987 nan 8.290 nan 0.000 0.527 3 V N 1.638 121.779 119.914 0.379 0.000 2.340 3 V HA 0.393 4.515 4.120 0.003 0.000 0.277 3 V C -1.882 174.364 176.094 0.253 0.000 1.017 3 V CA -1.500 60.982 62.300 0.304 0.000 0.820 3 V CB 1.748 33.667 31.823 0.160 0.000 1.028 3 V HN 0.142 nan 8.190 nan 0.000 0.436 4 P HA 0.258 nan 4.420 nan 0.000 0.271 4 P C 0.809 178.088 177.300 -0.036 0.000 1.216 4 P CA -0.116 62.979 63.100 -0.008 0.000 0.771 4 P CB 1.319 32.886 31.700 -0.221 0.000 0.864 5 A N 4.019 126.803 122.820 -0.061 0.000 2.015 5 A HA -0.043 4.278 4.320 0.003 0.000 0.219 5 A C 0.934 178.464 177.584 -0.089 0.000 1.163 5 A CA 1.052 53.057 52.037 -0.052 0.000 0.646 5 A CB -0.671 18.299 19.000 -0.049 0.000 0.806 5 A HN 0.562 nan 8.150 nan 0.000 0.448 6 I N 1.037 121.517 120.570 -0.151 0.000 2.354 6 I HA 0.156 4.328 4.170 0.003 0.000 0.286 6 I C -0.619 175.352 176.117 -0.244 0.000 1.007 6 I CA -0.713 60.475 61.300 -0.187 0.000 1.167 6 I CB 1.348 39.212 38.000 -0.225 0.000 1.320 6 I HN 0.142 nan 8.210 nan 0.000 0.458 7 Q N 7.747 127.438 119.800 -0.182 0.000 2.311 7 Q HA 0.210 4.552 4.340 0.003 0.000 0.272 7 Q C -2.113 173.715 176.000 -0.286 0.000 1.012 7 Q CA -1.302 54.389 55.803 -0.186 0.000 0.891 7 Q CB 0.574 29.259 28.738 -0.088 0.000 1.201 7 Q HN 0.371 nan 8.270 nan 0.000 0.391 8 P HA 0.167 nan 4.420 nan 0.000 0.276 8 P C -0.701 176.479 177.300 -0.200 0.000 1.244 8 P CA -0.370 62.422 63.100 -0.513 0.000 0.801 8 P CB 0.921 31.979 31.700 -1.070 0.000 1.006 9 V N 3.344 123.184 119.914 -0.123 0.000 2.326 9 V HA 0.244 4.365 4.120 0.003 0.000 0.281 9 V C 0.640 176.755 176.094 0.036 0.000 1.015 9 V CA -0.505 61.777 62.300 -0.030 0.000 0.823 9 V CB 0.740 32.539 31.823 -0.039 0.000 1.009 9 V HN 0.396 nan 8.190 nan 0.000 0.436 10 L N 3.161 124.432 121.223 0.080 0.000 2.439 10 L HA 0.637 4.979 4.340 0.003 0.000 0.259 10 L C 0.889 177.803 176.870 0.075 0.000 1.129 10 L CA -0.045 54.862 54.840 0.112 0.000 0.803 10 L CB 1.248 43.408 42.059 0.168 0.000 1.161 10 L HN 0.801 nan 8.230 nan 0.000 0.462 17 V N 5.690 125.613 119.914 0.014 0.000 2.498 17 V HA 0.290 4.412 4.120 0.003 0.000 0.279 17 V C 0.891 176.991 176.094 0.009 0.000 1.048 17 V CA 0.013 62.326 62.300 0.022 0.000 0.967 17 V CB 1.188 33.034 31.823 0.038 0.000 0.988 17 V HN 0.974 nan 8.190 nan 0.000 0.473 18 N N 2.783 121.489 118.700 0.009 0.000 2.741 18 N HA -0.146 4.595 4.740 0.003 0.000 0.250 18 N C 0.307 175.815 175.510 -0.002 0.000 1.115 18 N CA 1.079 54.132 53.050 0.005 0.000 0.724 18 N CB -0.906 37.585 38.487 0.007 0.000 1.090 18 N HN 0.996 nan 8.380 nan 0.000 0.558 19 G N -0.665 108.128 108.800 -0.010 0.000 2.641 19 G HA2 0.622 4.584 3.960 0.003 0.000 0.239 19 G HA3 0.622 4.584 3.960 0.003 0.000 0.239 19 G C -0.424 174.469 174.900 -0.011 0.000 1.402 19 G CA 0.082 45.170 45.100 -0.020 0.000 1.046 19 G HN 0.530 nan 8.290 nan 0.000 0.565 20 E N -1.307 118.886 120.200 -0.012 0.000 2.429 20 E HA 0.407 4.759 4.350 0.003 0.000 0.276 20 E C -1.091 175.516 176.600 0.011 0.000 0.953 20 E CA -0.808 55.596 56.400 0.006 0.000 0.787 20 E CB 1.954 31.666 29.700 0.020 0.000 1.307 20 E HN 0.409 nan 8.360 nan 0.000 0.458 21 E N 0.716 120.935 120.200 0.032 0.000 2.384 21 E HA 0.320 4.671 4.350 0.003 0.000 0.266 21 E C -0.802 175.864 176.600 0.111 0.000 1.012 21 E CA -0.214 56.228 56.400 0.069 0.000 0.901 21 E CB 0.800 30.563 29.700 0.104 0.000 0.967 21 E HN 0.545 nan 8.360 nan 0.000 0.435 22 A N 3.565 126.490 122.820 0.174 0.000 2.286 22 A HA 0.331 4.653 4.320 0.003 0.000 0.286 22 A C -0.430 177.202 177.584 0.080 0.000 1.097 22 A CA -0.708 51.435 52.037 0.177 0.000 0.821 22 A CB 1.020 20.192 19.000 0.286 0.000 1.076 22 A HN 0.503 nan 8.150 nan 0.000 0.490 23 V N 2.905 122.757 119.914 -0.103 0.000 2.585 23 V HA 0.124 4.246 4.120 0.003 0.000 0.296 23 V C -2.032 173.809 176.094 -0.422 0.000 1.035 23 V CA -0.746 61.399 62.300 -0.258 0.000 1.084 23 V CB 0.561 32.226 31.823 -0.264 0.000 0.953 23 V HN 0.736 nan 8.190 nan 0.000 0.483 24 P HA 0.118 nan 4.420 nan 0.000 0.261 24 P C 0.944 177.976 177.300 -0.447 0.000 1.183 24 P CA 1.538 64.049 63.100 -0.982 0.000 0.761 24 P CB 0.319 31.351 31.700 -1.113 0.000 0.785 25 G N 3.028 111.666 108.800 -0.270 0.000 2.184 25 G HA2 -0.322 3.639 3.960 0.003 0.000 0.264 25 G HA3 -0.322 3.639 3.960 0.003 0.000 0.264 25 G C 1.092 175.786 174.900 -0.345 0.000 0.975 25 G CA 0.585 45.550 45.100 -0.225 0.000 0.642 25 G HN 0.597 nan 8.290 nan 0.000 0.536 26 S N -1.765 113.651 115.700 -0.474 0.000 2.607 26 S HA 0.181 4.653 4.470 0.003 0.000 0.224 26 S C 0.624 174.519 174.600 -1.175 0.000 0.969 26 S CA 0.678 58.419 58.200 -0.766 0.000 0.927 26 S CB -0.277 62.410 63.200 -0.854 0.000 0.772 26 S HN 0.667 nan 8.310 nan 0.000 0.533 27 W N 1.974 122.908 121.300 -0.610 0.000 1.890 27 W HA 0.409 5.071 4.660 0.003 0.000 0.293 27 W C -2.103 173.810 176.519 -1.010 0.000 0.895 27 W CA -2.068 54.639 57.345 -1.063 0.000 1.968 27 W CB 1.083 30.062 29.460 -0.802 0.000 2.198 27 W HN 0.054 nan 8.180 nan 0.000 0.401 28 P HA -0.220 nan 4.420 nan 0.000 0.222 28 P C 0.859 178.022 177.300 -0.229 0.000 1.142 28 P CA 1.776 64.643 63.100 -0.388 0.000 0.788 28 P CB 0.051 31.572 31.700 -0.297 0.000 0.767 29 W N -0.196 121.109 121.300 0.008 0.000 2.863 29 W HA 0.315 4.977 4.660 0.002 0.000 0.258 29 W C 0.809 177.360 176.519 0.054 0.000 1.298 29 W CA -0.464 56.887 57.345 0.011 0.000 1.451 29 W CB -1.554 27.928 29.460 0.036 0.000 1.107 29 W HN -0.140 nan 8.180 nan 0.000 0.641 30 Q N 2.969 122.763 119.800 -0.010 0.000 2.271 30 Q HA 0.292 4.634 4.340 0.003 0.000 0.273 30 Q C -0.203 175.913 176.000 0.193 0.000 1.051 30 Q CA -0.036 55.821 55.803 0.090 0.000 0.901 30 Q CB 0.865 29.547 28.738 -0.093 0.000 1.174 30 Q HN 0.252 nan 8.270 nan 0.000 0.385 31 V N 0.870 120.931 119.914 0.244 0.000 3.046 31 V HA 0.820 4.942 4.120 0.003 0.000 0.316 31 V C -0.567 175.703 176.094 0.293 0.000 1.104 31 V CA -0.847 61.596 62.300 0.240 0.000 1.006 31 V CB 2.021 33.935 31.823 0.152 0.000 1.058 31 V HN 0.695 nan 8.190 nan 0.000 0.440 32 S N 2.185 117.977 115.700 0.153 0.000 2.449 32 S HA 0.703 5.174 4.470 0.003 0.000 0.310 32 S C -0.705 173.825 174.600 -0.118 0.000 1.096 32 S CA -0.712 57.519 58.200 0.053 0.000 1.095 32 S CB 0.485 63.546 63.200 -0.231 0.000 1.007 32 S HN 0.745 nan 8.310 nan 0.000 0.474 33 L N 5.053 126.064 121.223 -0.352 0.000 2.264 33 L HA 0.515 4.856 4.340 0.003 0.000 0.289 33 L C 0.124 176.604 176.870 -0.649 0.000 1.044 33 L CA -0.411 54.117 54.840 -0.520 0.000 0.807 33 L CB 1.177 42.758 42.059 -0.797 0.000 1.192 33 L HN 0.664 nan 8.230 nan 0.000 0.425 34 Q N 1.319 121.043 119.800 -0.126 0.000 2.433 34 Q HA 0.335 4.677 4.340 0.003 0.000 0.279 34 Q C -1.183 175.045 176.000 0.380 0.000 1.105 34 Q CA -1.075 54.819 55.803 0.153 0.000 0.815 34 Q CB 2.710 31.474 28.738 0.045 0.000 1.403 34 Q HN 0.629 nan 8.270 nan 0.000 0.435 35 D N -0.208 120.418 120.400 0.378 0.000 2.433 35 D HA 0.013 4.654 4.640 0.003 0.000 0.255 35 D C 0.617 176.996 176.300 0.132 0.000 1.226 35 D CA -0.483 53.641 54.000 0.207 0.000 1.015 35 D CB 0.573 41.442 40.800 0.115 0.000 1.091 35 D HN 0.581 nan 8.370 nan 0.000 0.527 36 K N -1.499 118.944 120.400 0.073 0.000 2.360 36 K HA -0.173 4.148 4.320 0.003 0.000 0.201 36 K C 1.364 177.995 176.600 0.051 0.000 1.046 36 K CA 1.664 57.980 56.287 0.049 0.000 0.940 36 K CB -0.797 31.717 32.500 0.023 0.000 0.748 36 K HN 0.558 nan 8.250 nan 0.000 0.465 37 T N -3.631 110.965 114.554 0.070 0.000 3.081 37 T HA 0.276 4.627 4.350 0.003 0.000 0.250 37 T C 1.353 176.106 174.700 0.089 0.000 1.100 37 T CA 0.284 62.425 62.100 0.069 0.000 1.038 37 T CB 0.391 69.299 68.868 0.067 0.000 0.962 37 T HN 0.471 nan 8.240 nan 0.000 0.516 38 G N 0.917 109.781 108.800 0.108 0.000 2.163 38 G HA2 -0.177 3.785 3.960 0.003 0.000 0.213 38 G HA3 -0.177 3.785 3.960 0.003 0.000 0.213 38 G C -0.230 174.736 174.900 0.111 0.000 0.991 38 G CA -0.232 44.914 45.100 0.077 0.000 0.653 38 G HN 0.607 nan 8.290 nan 0.000 0.518 39 F N 2.909 122.893 119.950 0.056 0.000 2.471 39 F HA 0.588 5.115 4.527 0.001 0.000 0.365 39 F C 0.899 176.792 175.800 0.155 0.000 1.095 39 F CA -0.942 57.111 58.000 0.088 0.000 1.174 39 F CB 0.314 39.363 39.000 0.081 0.000 1.105 39 F HN 0.301 nan 8.300 nan 0.000 0.535 40 H N 7.053 125.793 119.070 -0.550 0.000 2.899 40 H HA 0.148 4.706 4.556 0.002 0.000 0.303 40 H C 0.140 175.264 175.328 -0.339 0.000 1.042 40 H CA 0.289 56.082 56.048 -0.425 0.000 1.479 40 H CB 0.287 29.765 29.762 -0.475 0.000 1.493 40 H HN 0.618 nan 8.280 nan 0.000 0.534 41 F N 1.268 120.899 119.950 -0.532 0.000 2.746 41 F HA 0.435 4.963 4.527 0.002 0.000 0.313 41 F C -0.324 175.295 175.800 -0.302 0.000 1.095 41 F CA -0.759 57.106 58.000 -0.226 0.000 1.224 41 F CB -0.073 38.956 39.000 0.048 0.000 1.060 41 F HN 0.422 nan 8.300 nan 0.000 0.584 42 c N 0.281 118.219 118.600 -1.103 0.000 3.312 42 c HA 0.751 5.322 4.570 0.003 0.000 0.332 42 c C 0.522 174.299 174.090 -0.522 0.000 1.340 42 c CA -0.582 55.376 56.329 -0.619 0.000 1.265 42 c CB 1.198 43.428 42.510 -0.468 0.000 1.563 42 c HN 0.689 nan 8.230 nan 0.000 0.471 43 G N -0.183 108.550 108.800 -0.113 0.000 2.601 43 G HA2 0.848 4.809 3.960 0.003 0.000 0.317 43 G HA3 0.848 4.809 3.960 0.003 0.000 0.317 43 G C -0.371 174.539 174.900 0.016 0.000 1.246 43 G CA 0.150 45.298 45.100 0.080 0.000 1.012 43 G HN 1.442 nan 8.290 nan 0.000 0.494 44 G N -1.771 107.084 108.800 0.091 0.000 2.559 44 G HA2 0.535 4.496 3.960 0.003 0.000 0.291 44 G HA3 0.535 4.496 3.960 0.003 0.000 0.291 44 G C -1.434 173.561 174.900 0.157 0.000 1.424 44 G CA -0.297 44.858 45.100 0.093 0.000 0.786 44 G HN 0.876 nan 8.290 nan 0.000 0.485 45 S N -0.433 115.368 115.700 0.170 0.000 2.594 45 S HA 0.522 4.994 4.470 0.003 0.000 0.296 45 S C -0.354 174.380 174.600 0.224 0.000 1.124 45 S CA -0.493 57.846 58.200 0.230 0.000 1.011 45 S CB 1.459 64.760 63.200 0.169 0.000 1.016 45 S HN 0.556 nan 8.310 nan 0.000 0.485 46 L N 3.867 125.258 121.223 0.280 0.000 2.367 46 L HA 0.349 4.690 4.340 0.003 0.000 0.275 46 L C 1.233 178.262 176.870 0.265 0.000 1.129 46 L CA -0.033 54.980 54.840 0.288 0.000 0.839 46 L CB 0.421 42.665 42.059 0.308 0.000 1.133 46 L HN 0.782 nan 8.230 nan 0.000 0.453 47 I N -0.392 120.333 120.570 0.257 0.000 4.070 47 I HA 0.307 4.479 4.170 0.003 0.000 0.328 47 I C 0.070 176.327 176.117 0.234 0.000 1.298 47 I CA -0.179 61.230 61.300 0.183 0.000 1.173 47 I CB 0.199 38.262 38.000 0.105 0.000 1.051 47 I HN 0.746 nan 8.210 nan 0.000 0.409 48 N N -0.246 118.662 118.700 0.348 0.000 3.413 48 N HA 0.078 4.819 4.740 0.003 0.000 0.273 48 N C -0.322 175.351 175.510 0.272 0.000 1.458 48 N CA -0.610 52.626 53.050 0.311 0.000 0.860 48 N CB 0.506 39.088 38.487 0.157 0.000 1.556 48 N HN -0.114 nan 8.380 nan 0.000 0.475 49 E N -0.770 119.315 120.200 -0.191 0.000 2.338 49 E HA 0.079 4.431 4.350 0.003 0.000 0.197 49 E C 0.182 176.773 176.600 -0.015 0.000 1.007 49 E CA 0.922 57.137 56.400 -0.310 0.000 0.849 49 E CB -0.213 29.132 29.700 -0.591 0.000 0.774 49 E HN 0.452 nan 8.360 nan 0.000 0.506 50 N N -1.180 117.566 118.700 0.077 0.000 2.171 50 N HA 0.070 4.812 4.740 0.003 0.000 0.212 50 N C -0.829 174.574 175.510 -0.179 0.000 1.184 50 N CA 0.100 53.128 53.050 -0.037 0.000 0.888 50 N CB 0.640 39.088 38.487 -0.064 0.000 1.038 50 N HN 0.065 nan 8.380 nan 0.000 0.517 51 W N 0.665 121.998 121.300 0.056 0.000 2.915 51 W HA 0.566 5.227 4.660 0.002 0.000 0.337 51 W C -0.588 175.990 176.519 0.099 0.000 1.102 51 W CA -0.558 56.823 57.345 0.060 0.000 1.224 51 W CB 1.287 30.750 29.460 0.005 0.000 1.416 51 W HN -0.434 nan 8.180 nan 0.000 0.503 52 V N 3.137 123.253 119.914 0.338 0.000 2.656 52 V HA 0.552 4.673 4.120 0.003 0.000 0.307 52 V C -0.931 175.316 176.094 0.255 0.000 1.051 52 V CA -1.191 61.261 62.300 0.253 0.000 0.893 52 V CB 1.838 33.768 31.823 0.178 0.000 0.999 52 V HN 0.341 nan 8.190 nan 0.000 0.426 53 V N 4.438 124.475 119.914 0.206 0.000 2.483 53 V HA 0.845 4.966 4.120 0.003 0.000 0.295 53 V C -0.020 176.158 176.094 0.139 0.000 1.035 53 V CA 0.549 62.962 62.300 0.189 0.000 0.896 53 V CB 1.870 33.787 31.823 0.157 0.000 0.986 53 V HN 1.106 nan 8.190 nan 0.000 0.447 54 T N 4.386 119.013 114.554 0.122 0.000 2.618 54 T HA 0.769 5.121 4.350 0.003 0.000 0.293 54 T C -0.606 174.101 174.700 0.012 0.000 1.093 54 T CA 0.108 62.240 62.100 0.053 0.000 1.061 54 T CB 1.575 70.456 68.868 0.021 0.000 1.498 54 T HN 1.235 nan 8.240 nan 0.000 0.494 55 A N 0.341 123.112 122.820 -0.082 0.000 2.304 55 A HA 0.741 5.063 4.320 0.003 0.000 0.301 55 A C 1.414 178.842 177.584 -0.261 0.000 1.132 55 A CA 0.234 52.171 52.037 -0.167 0.000 0.819 55 A CB 0.367 19.185 19.000 -0.303 0.000 1.094 55 A HN 1.154 nan 8.150 nan 0.000 0.492 56 A N 0.901 123.525 122.820 -0.327 0.000 1.930 56 A HA -0.119 4.202 4.320 0.003 0.000 0.217 56 A C 1.753 179.017 177.584 -0.533 0.000 1.175 56 A CA 1.659 53.394 52.037 -0.504 0.000 0.627 56 A CB -0.972 17.475 19.000 -0.922 0.000 0.815 56 A HN 1.077 nan 8.150 nan 0.000 0.443 57 H N -1.810 116.998 119.070 -0.436 0.000 2.545 57 H HA -0.050 4.508 4.556 0.002 0.000 0.282 57 H C 1.657 176.970 175.328 -0.025 0.000 1.020 57 H CA 1.236 57.181 56.048 -0.172 0.000 1.243 57 H CB -0.775 28.990 29.762 0.004 0.000 1.377 57 H HN 0.405 nan 8.280 nan 0.000 0.581 58 c N 1.068 119.439 118.600 -0.382 0.000 2.437 58 c HA 0.119 4.691 4.570 0.003 0.000 0.283 58 c C 2.028 176.168 174.090 0.082 0.000 1.424 58 c CA 0.916 57.198 56.329 -0.078 0.000 1.782 58 c CB -1.210 41.264 42.510 -0.061 0.000 1.833 58 c HN 0.917 nan 8.230 nan 0.000 0.532 59 G N 1.062 109.859 108.800 -0.005 0.000 2.305 59 G HA2 -0.223 3.738 3.960 0.003 0.000 0.287 59 G HA3 -0.223 3.738 3.960 0.003 0.000 0.287 59 G C 0.086 174.991 174.900 0.007 0.000 1.036 59 G CA 0.363 45.458 45.100 -0.008 0.000 0.887 59 G HN 0.437 nan 8.290 nan 0.000 0.505 60 V N 0.653 120.627 119.914 0.100 0.000 2.872 60 V HA 0.520 4.641 4.120 0.003 0.000 0.307 60 V C 1.206 177.335 176.094 0.058 0.000 1.072 60 V CA 0.870 63.263 62.300 0.156 0.000 1.148 60 V CB 1.064 33.008 31.823 0.202 0.000 0.954 60 V HN 1.007 nan 8.190 nan 0.000 0.490 61 T N -0.670 113.909 114.554 0.042 0.000 2.864 61 T HA 0.330 4.681 4.350 0.003 0.000 0.289 61 T C 0.939 175.650 174.700 0.018 0.000 1.082 61 T CA 0.081 62.184 62.100 0.006 0.000 1.009 61 T CB 1.589 70.440 68.868 -0.028 0.000 1.234 61 T HN 0.764 nan 8.240 nan 0.000 0.526 62 T N -1.250 113.301 114.554 -0.005 0.000 3.098 62 T HA 0.012 4.363 4.350 0.003 0.000 0.266 62 T C 1.700 176.402 174.700 0.003 0.000 1.145 62 T CA 0.929 63.026 62.100 -0.006 0.000 1.092 62 T CB -0.647 68.206 68.868 -0.025 0.000 0.908 62 T HN 0.466 nan 8.240 nan 0.000 0.526 63 S N 1.085 116.787 115.700 0.003 0.000 2.501 63 S HA 0.087 4.558 4.470 0.003 0.000 0.220 63 S C 0.648 175.266 174.600 0.031 0.000 0.997 63 S CA -0.062 58.141 58.200 0.005 0.000 0.919 63 S CB -0.076 63.116 63.200 -0.013 0.000 0.778 63 S HN 0.601 nan 8.310 nan 0.000 0.523 64 D N 1.444 121.880 120.400 0.060 0.000 2.411 64 D HA 0.404 5.045 4.640 0.003 0.000 0.251 64 D C 0.144 176.507 176.300 0.105 0.000 1.201 64 D CA -0.074 54.005 54.000 0.132 0.000 0.996 64 D CB 1.284 42.242 40.800 0.263 0.000 1.101 64 D HN 0.158 nan 8.370 nan 0.000 0.504 65 V N -2.603 117.379 119.914 0.114 0.000 2.962 65 V HA 0.582 4.703 4.120 0.003 0.000 0.313 65 V C -0.461 175.655 176.094 0.037 0.000 1.099 65 V CA -0.942 61.395 62.300 0.061 0.000 0.971 65 V CB 1.788 33.638 31.823 0.045 0.000 1.028 65 V HN 0.200 nan 8.190 nan 0.000 0.430 66 V N 3.512 123.443 119.914 0.029 0.000 2.407 66 V HA 0.476 4.598 4.120 0.003 0.000 0.278 66 V C -0.047 176.060 176.094 0.023 0.000 1.037 66 V CA -0.348 61.966 62.300 0.023 0.000 0.900 66 V CB 1.502 33.353 31.823 0.046 0.000 0.983 66 V HN 0.764 nan 8.190 nan 0.000 0.459 67 V N 5.130 125.049 119.914 0.008 0.000 2.334 67 V HA 0.738 4.859 4.120 0.003 0.000 0.281 67 V C 0.432 176.551 176.094 0.042 0.000 1.016 67 V CA -0.362 61.940 62.300 0.003 0.000 0.832 67 V CB 1.273 33.061 31.823 -0.058 0.000 0.999 67 V HN 0.967 nan 8.190 nan 0.000 0.439 68 A N 3.365 126.224 122.820 0.064 0.000 2.311 68 A HA 0.811 5.132 4.320 0.003 0.000 0.334 68 A C 1.124 178.757 177.584 0.081 0.000 1.139 68 A CA 0.048 52.140 52.037 0.091 0.000 0.830 68 A CB 1.131 20.193 19.000 0.104 0.000 1.234 68 A HN 1.979 nan 8.150 nan 0.000 0.483 69 G N -0.182 108.670 108.800 0.086 0.000 2.153 69 G HA2 -0.214 3.748 3.960 0.003 0.000 0.252 69 G HA3 -0.214 3.748 3.960 0.003 0.000 0.252 69 G C 0.090 175.059 174.900 0.115 0.000 0.994 69 G CA 0.721 45.864 45.100 0.072 0.000 0.698 69 G HN 1.076 nan 8.290 nan 0.000 0.521 70 E N -1.251 119.053 120.200 0.174 0.000 2.277 70 E HA 0.710 5.061 4.350 0.003 0.000 0.274 70 E C 0.603 177.476 176.600 0.456 0.000 1.022 70 E CA -0.920 55.607 56.400 0.212 0.000 0.853 70 E CB 0.571 30.293 29.700 0.036 0.000 1.086 70 E HN 0.264 nan 8.360 nan 0.000 0.397 71 F N 2.233 122.330 119.950 0.246 0.000 2.212 71 F HA 0.273 4.803 4.527 0.004 0.000 0.262 71 F C -0.191 175.812 175.800 0.339 0.000 0.906 71 F CA -0.141 58.030 58.000 0.286 0.000 1.127 71 F CB 0.664 39.728 39.000 0.106 0.000 1.178 71 F HN 0.408 nan 8.300 nan 0.000 0.779 72 D N 1.564 121.945 120.400 -0.032 0.000 2.454 72 D HA 0.182 4.823 4.640 0.003 0.000 0.225 72 D C 0.329 176.556 176.300 -0.122 0.000 1.081 72 D CA 0.006 53.900 54.000 -0.177 0.000 0.864 72 D CB 1.427 42.206 40.800 -0.035 0.000 1.040 72 D HN 0.438 nan 8.370 nan 0.000 0.517 73 Q N 1.733 121.394 119.800 -0.233 0.000 2.437 73 Q HA 0.011 4.352 4.340 0.003 0.000 0.210 73 Q C 1.529 177.420 176.000 -0.182 0.000 0.972 73 Q CA 0.581 56.200 55.803 -0.307 0.000 0.903 73 Q CB 0.432 28.844 28.738 -0.543 0.000 0.967 73 Q HN 0.487 nan 8.270 nan 0.000 0.486 74 G N 0.324 109.047 108.800 -0.127 0.000 3.042 74 G HA2 -0.034 3.927 3.960 0.003 0.000 0.212 74 G HA3 -0.034 3.927 3.960 0.003 0.000 0.212 74 G C 0.272 175.144 174.900 -0.046 0.000 1.166 74 G CA -0.183 44.870 45.100 -0.079 0.000 0.767 74 G HN 0.128 nan 8.290 nan 0.000 0.546 75 S N 0.688 116.364 115.700 -0.039 0.000 2.410 75 S HA 0.358 4.830 4.470 0.003 0.000 0.304 75 S C 1.652 176.244 174.600 -0.013 0.000 1.095 75 S CA 0.118 58.313 58.200 -0.008 0.000 1.089 75 S CB 0.941 64.155 63.200 0.024 0.000 0.968 75 S HN 0.294 nan 8.310 nan 0.000 0.480 76 S N 3.460 119.153 115.700 -0.011 0.000 2.489 76 S HA -0.069 4.403 4.470 0.003 0.000 0.228 76 S C 1.714 176.314 174.600 -0.001 0.000 0.995 76 S CA 0.771 58.965 58.200 -0.010 0.000 0.934 76 S CB -0.335 62.860 63.200 -0.008 0.000 0.771 76 S HN 0.805 nan 8.310 nan 0.000 0.522 77 S N 0.761 116.464 115.700 0.006 0.000 2.458 77 S HA 0.122 4.594 4.470 0.003 0.000 0.223 77 S C 0.616 175.226 174.600 0.017 0.000 1.019 77 S CA -0.279 57.927 58.200 0.011 0.000 0.937 77 S CB -0.633 62.575 63.200 0.013 0.000 0.788 77 S HN 0.625 nan 8.310 nan 0.000 0.511 78 E N 2.202 122.417 120.200 0.024 0.000 2.608 78 E HA -0.038 4.314 4.350 0.003 0.000 0.259 78 E C -0.736 175.881 176.600 0.028 0.000 0.951 78 E CA 0.324 56.747 56.400 0.038 0.000 0.945 78 E CB 0.376 30.111 29.700 0.059 0.000 0.916 78 E HN 0.352 nan 8.360 nan 0.000 0.477 79 K N 5.398 125.816 120.400 0.030 0.000 2.349 79 K HA 0.268 4.590 4.320 0.003 0.000 0.288 79 K C 0.133 176.752 176.600 0.031 0.000 1.058 79 K CA -0.016 56.286 56.287 0.025 0.000 0.953 79 K CB 0.343 32.856 32.500 0.022 0.000 0.997 79 K HN 0.410 nan 8.250 nan 0.000 0.477 80 I N -1.219 119.366 120.570 0.026 0.000 3.354 80 I HA 0.353 4.525 4.170 0.003 0.000 0.316 80 I C -1.276 174.859 176.117 0.030 0.000 1.182 80 I CA -1.330 59.988 61.300 0.030 0.000 0.942 80 I CB 2.100 40.109 38.000 0.016 0.000 1.299 80 I HN 0.364 nan 8.210 nan 0.000 0.473 81 Q N 1.718 121.540 119.800 0.037 0.000 2.339 81 Q HA 0.423 4.764 4.340 0.003 0.000 0.268 81 Q C -1.443 174.577 176.000 0.034 0.000 1.027 81 Q CA -0.699 55.129 55.803 0.041 0.000 0.759 81 Q CB 2.403 31.178 28.738 0.063 0.000 1.244 81 Q HN 0.412 nan 8.270 nan 0.000 0.464 82 K N 3.618 124.033 120.400 0.024 0.000 2.263 82 K HA 0.343 4.664 4.320 0.003 0.000 0.282 82 K C -0.712 175.902 176.600 0.024 0.000 1.089 82 K CA -0.133 56.165 56.287 0.019 0.000 0.907 82 K CB 0.568 33.075 32.500 0.012 0.000 1.148 82 K HN 0.381 nan 8.250 nan 0.000 0.470 83 L N 3.598 124.838 121.223 0.028 0.000 2.295 83 L HA 0.359 4.701 4.340 0.003 0.000 0.285 83 L C 0.189 177.069 176.870 0.018 0.000 1.035 83 L CA -0.837 54.019 54.840 0.026 0.000 0.806 83 L CB 1.134 43.215 42.059 0.038 0.000 1.214 83 L HN 0.345 nan 8.230 nan 0.000 0.426 84 K N 3.172 123.577 120.400 0.008 0.000 2.202 84 K HA 0.484 4.806 4.320 0.003 0.000 0.264 84 K C -0.618 175.977 176.600 -0.008 0.000 1.010 84 K CA -0.344 55.946 56.287 0.004 0.000 0.940 84 K CB 1.252 33.751 32.500 -0.002 0.000 0.983 84 K HN 0.435 nan 8.250 nan 0.000 0.475 85 I N 2.240 122.807 120.570 -0.005 0.000 2.321 85 I HA 0.082 4.253 4.170 0.003 0.000 0.291 85 I C 0.908 177.004 176.117 -0.035 0.000 0.998 85 I CA -0.127 61.162 61.300 -0.018 0.000 1.227 85 I CB 1.689 39.695 38.000 0.009 0.000 1.368 85 I HN 0.794 nan 8.210 nan 0.000 0.466 86 A N 6.204 128.985 122.820 -0.064 0.000 1.903 86 A HA 0.079 4.401 4.320 0.003 0.000 0.213 86 A C 0.939 178.483 177.584 -0.066 0.000 1.185 86 A CA 1.100 53.099 52.037 -0.063 0.000 0.628 86 A CB 0.200 19.152 19.000 -0.081 0.000 0.830 86 A HN 0.700 nan 8.150 nan 0.000 0.446 87 K N -1.196 119.161 120.400 -0.073 0.000 2.546 87 K HA 0.536 4.858 4.320 0.003 0.000 0.264 87 K C -2.089 174.447 176.600 -0.106 0.000 0.937 87 K CA -0.552 55.656 56.287 -0.131 0.000 0.833 87 K CB 2.275 34.665 32.500 -0.183 0.000 1.378 87 K HN -0.038 nan 8.250 nan 0.000 0.432 88 V N 4.026 123.821 119.914 -0.199 0.000 2.417 88 V HA 0.482 4.603 4.120 0.003 0.000 0.291 88 V C -1.065 174.928 176.094 -0.168 0.000 1.024 88 V CA -0.573 61.700 62.300 -0.045 0.000 0.861 88 V CB 0.965 32.787 31.823 -0.002 0.000 0.985 88 V HN 0.564 nan 8.190 nan 0.000 0.436 89 F N 3.926 124.007 119.950 0.220 0.000 2.307 89 F HA 0.444 4.972 4.527 0.002 0.000 0.369 89 F C 0.426 176.463 175.800 0.396 0.000 1.076 89 F CA -0.627 57.556 58.000 0.304 0.000 1.149 89 F CB 1.045 40.245 39.000 0.334 0.000 1.410 89 F HN 0.332 nan 8.300 nan 0.000 0.481 90 K N 2.583 123.199 120.400 0.360 0.000 2.276 90 K HA 0.124 4.445 4.320 0.003 0.000 0.283 90 K C 0.283 177.021 176.600 0.230 0.000 1.044 90 K CA -0.570 55.853 56.287 0.227 0.000 0.944 90 K CB 0.566 33.124 32.500 0.097 0.000 1.012 90 K HN 0.418 nan 8.250 nan 0.000 0.472 91 N N 2.470 121.114 118.700 -0.093 0.000 2.434 91 N HA -0.091 4.650 4.740 0.003 0.000 0.268 91 N C 0.725 176.170 175.510 -0.107 0.000 1.256 91 N CA 0.412 53.177 53.050 -0.475 0.000 0.914 91 N CB 0.875 38.706 38.487 -1.094 0.000 1.088 91 N HN 0.726 nan 8.380 nan 0.000 0.478 92 S N 3.510 119.225 115.700 0.026 0.000 2.465 92 S HA -0.098 4.374 4.470 0.003 0.000 0.241 92 S C 1.125 175.735 174.600 0.017 0.000 1.000 92 S CA 0.934 59.174 58.200 0.066 0.000 0.964 92 S CB -0.006 63.261 63.200 0.111 0.000 0.763 92 S HN 0.625 nan 8.310 nan 0.000 0.512 93 K N 0.029 120.397 120.400 -0.053 0.000 2.404 93 K HA 0.140 4.462 4.320 0.003 0.000 0.194 93 K C -0.103 176.477 176.600 -0.035 0.000 1.023 93 K CA -0.338 55.917 56.287 -0.052 0.000 1.094 93 K CB -0.042 32.409 32.500 -0.083 0.000 0.841 93 K HN 0.518 nan 8.250 nan 0.000 0.523 94 Y N 2.802 123.029 120.300 -0.123 0.000 2.721 94 Y HA -0.076 4.475 4.550 0.002 0.000 0.329 94 Y C 0.001 175.867 175.900 -0.056 0.000 1.211 94 Y CA -0.449 57.597 58.100 -0.090 0.000 1.512 94 Y CB 0.054 38.470 38.460 -0.073 0.000 1.249 94 Y HN -0.043 nan 8.280 nan 0.000 0.549 95 N N 4.008 122.300 118.700 -0.680 0.000 2.485 95 N HA 0.024 4.766 4.740 0.003 0.000 0.243 95 N C 0.434 175.389 175.510 -0.926 0.000 0.987 95 N CA 0.412 53.109 53.050 -0.588 0.000 0.940 95 N CB 1.012 39.306 38.487 -0.321 0.000 1.122 95 N HN 0.784 nan 8.380 nan 0.000 0.509 96 S N 3.163 118.421 115.700 -0.737 0.000 2.547 96 S HA -0.019 4.452 4.470 0.003 0.000 0.235 96 S C 1.627 176.050 174.600 -0.295 0.000 0.980 96 S CA 0.385 58.288 58.200 -0.495 0.000 0.941 96 S CB -0.065 63.040 63.200 -0.158 0.000 0.763 96 S HN 0.580 nan 8.310 nan 0.000 0.532 97 L N 1.164 122.215 121.223 -0.288 0.000 2.269 97 L HA 0.105 4.446 4.340 0.003 0.000 0.200 97 L C 2.892 179.611 176.870 -0.251 0.000 1.069 97 L CA 1.258 55.969 54.840 -0.216 0.000 0.804 97 L CB -0.941 41.020 42.059 -0.163 0.000 0.987 97 L HN 0.496 nan 8.230 nan 0.000 0.468 98 T N -3.122 111.275 114.554 -0.263 0.000 3.065 98 T HA 0.187 4.538 4.350 0.003 0.000 0.252 98 T C 1.181 175.701 174.700 -0.300 0.000 1.099 98 T CA 0.043 61.990 62.100 -0.256 0.000 1.063 98 T CB 0.063 68.830 68.868 -0.169 0.000 0.948 98 T HN 0.268 nan 8.240 nan 0.000 0.506 99 I N -0.419 119.962 120.570 -0.315 0.000 5.582 99 I HA -0.241 3.931 4.170 0.003 0.000 0.139 99 I C 0.162 176.291 176.117 0.021 0.000 1.814 99 I CA 0.125 61.322 61.300 -0.172 0.000 2.037 99 I CB -2.627 35.195 38.000 -0.296 0.000 3.362 99 I HN 0.309 nan 8.210 nan 0.000 0.169 100 N N 2.565 121.226 118.700 -0.065 0.000 2.503 100 N HA 0.233 4.974 4.740 0.003 0.000 0.267 100 N C 0.601 176.155 175.510 0.074 0.000 1.214 100 N CA 0.484 53.551 53.050 0.030 0.000 0.959 100 N CB 0.373 38.852 38.487 -0.014 0.000 1.142 100 N HN 0.247 nan 8.380 nan 0.000 0.455 101 N N 0.615 119.369 118.700 0.090 0.000 2.758 101 N HA -0.218 4.524 4.740 0.003 0.000 0.248 101 N C -1.308 174.299 175.510 0.162 0.000 1.076 101 N CA 0.472 53.558 53.050 0.059 0.000 0.696 101 N CB -1.212 37.265 38.487 -0.018 0.000 0.979 101 N HN 0.627 nan 8.380 nan 0.000 0.550 102 D N 1.236 121.766 120.400 0.217 0.000 2.608 102 D HA 0.398 5.040 4.640 0.003 0.000 0.224 102 D C 0.043 176.345 176.300 0.003 0.000 1.123 102 D CA 0.089 54.197 54.000 0.181 0.000 1.030 102 D CB -0.245 40.736 40.800 0.302 0.000 1.093 102 D HN 0.509 nan 8.370 nan 0.000 0.497 103 I N 0.683 121.190 120.570 -0.105 0.000 2.752 103 I HA 0.392 4.563 4.170 0.003 0.000 0.295 103 I C -1.292 174.772 176.117 -0.089 0.000 1.219 103 I CA -0.296 60.959 61.300 -0.076 0.000 1.030 103 I CB 2.225 40.204 38.000 -0.034 0.000 1.259 103 I HN -0.068 nan 8.210 nan 0.000 0.423 104 T N 6.901 121.513 114.554 0.095 0.000 2.933 104 T HA 0.537 4.888 4.350 0.003 0.000 0.305 104 T C -1.020 173.909 174.700 0.382 0.000 1.092 104 T CA -0.453 61.797 62.100 0.249 0.000 1.008 104 T CB 1.780 70.716 68.868 0.114 0.000 1.102 104 T HN 0.343 nan 8.240 nan 0.000 0.469 105 L N 3.087 124.641 121.223 0.551 0.000 2.325 105 L HA 0.650 4.992 4.340 0.003 0.000 0.278 105 L C -0.854 176.330 176.870 0.523 0.000 1.023 105 L CA -0.952 54.191 54.840 0.506 0.000 0.811 105 L CB 1.314 43.631 42.059 0.430 0.000 1.249 105 L HN 0.379 nan 8.230 nan 0.000 0.431 106 L N 3.689 125.156 121.223 0.406 0.000 2.325 106 L HA 0.477 4.818 4.340 0.003 0.000 0.281 106 L C -0.295 176.577 176.870 0.004 0.000 1.004 106 L CA -0.537 54.440 54.840 0.229 0.000 0.823 106 L CB 1.716 43.861 42.059 0.144 0.000 1.236 106 L HN 0.502 nan 8.230 nan 0.000 0.415 107 K N 4.580 124.835 120.400 -0.241 0.000 2.234 107 K HA 0.508 4.830 4.320 0.003 0.000 0.277 107 K C -0.605 175.763 176.600 -0.387 0.000 1.038 107 K CA -0.586 55.211 56.287 -0.817 0.000 0.888 107 K CB 0.869 32.777 32.500 -0.987 0.000 1.091 107 K HN 0.537 nan 8.250 nan 0.000 0.467 108 L N 2.980 123.994 121.223 -0.349 0.000 2.439 108 L HA 0.057 4.398 4.340 0.003 0.000 0.269 108 L C 1.460 178.241 176.870 -0.147 0.000 1.179 108 L CA -0.302 54.437 54.840 -0.168 0.000 0.828 108 L CB 1.261 43.259 42.059 -0.101 0.000 1.106 108 L HN 0.783 nan 8.230 nan 0.000 0.467 109 S N 0.028 115.678 115.700 -0.083 0.000 2.357 109 S HA -0.053 4.419 4.470 0.003 0.000 0.221 109 S C 0.630 175.199 174.600 -0.052 0.000 1.031 109 S CA 0.976 59.139 58.200 -0.062 0.000 0.982 109 S CB 0.097 63.276 63.200 -0.036 0.000 0.853 109 S HN 0.756 nan 8.310 nan 0.000 0.458 110 T N 1.871 116.402 114.554 -0.039 0.000 2.824 110 T HA 0.663 5.015 4.350 0.003 0.000 0.282 110 T C -0.274 174.412 174.700 -0.024 0.000 0.993 110 T CA -0.603 61.481 62.100 -0.026 0.000 0.967 110 T CB 1.674 70.536 68.868 -0.010 0.000 0.960 110 T HN 0.310 nan 8.240 nan 0.000 0.441 111 A N 2.497 125.299 122.820 -0.030 0.000 2.520 111 A HA 0.597 4.919 4.320 0.003 0.000 0.235 111 A C 0.790 178.381 177.584 0.011 0.000 1.065 111 A CA -0.321 51.699 52.037 -0.029 0.000 0.764 111 A CB -0.183 18.784 19.000 -0.055 0.000 1.002 111 A HN 1.084 nan 8.150 nan 0.000 0.502 112 A N 1.772 124.623 122.820 0.052 0.000 2.371 112 A HA 0.532 4.853 4.320 0.003 0.000 0.257 112 A C 0.564 178.242 177.584 0.157 0.000 1.089 112 A CA -0.174 51.950 52.037 0.146 0.000 0.794 112 A CB 0.082 19.257 19.000 0.290 0.000 1.029 112 A HN 0.954 nan 8.150 nan 0.000 0.488 113 S N 2.197 118.005 115.700 0.180 0.000 2.409 113 S HA 0.391 4.863 4.470 0.003 0.000 0.308 113 S C -0.429 174.365 174.600 0.324 0.000 1.080 113 S CA -0.254 58.050 58.200 0.174 0.000 1.081 113 S CB -0.500 62.765 63.200 0.108 0.000 1.009 113 S HN 0.417 nan 8.310 nan 0.000 0.502 114 F N 3.273 123.253 119.950 0.051 0.000 2.563 114 F HA 0.340 4.868 4.527 0.003 0.000 0.363 114 F C 1.439 177.265 175.800 0.044 0.000 1.123 114 F CA -0.443 57.592 58.000 0.058 0.000 1.307 114 F CB 0.304 39.344 39.000 0.068 0.000 1.115 114 F HN 0.641 nan 8.300 nan 0.000 0.592 115 S N 1.556 117.336 115.700 0.133 0.000 2.815 115 S HA 0.204 4.676 4.470 0.003 0.000 0.296 115 S C 0.502 175.103 174.600 0.002 0.000 1.224 115 S CA -0.697 57.544 58.200 0.068 0.000 0.938 115 S CB 1.327 64.559 63.200 0.054 0.000 1.285 115 S HN 0.539 nan 8.310 nan 0.000 0.549 116 Q N 0.430 120.224 119.800 -0.009 0.000 2.226 116 Q HA -0.080 4.262 4.340 0.003 0.000 0.204 116 Q C 1.403 177.355 176.000 -0.081 0.000 0.975 116 Q CA 2.042 57.821 55.803 -0.041 0.000 0.866 116 Q CB -0.361 28.353 28.738 -0.040 0.000 0.915 116 Q HN 0.899 nan 8.270 nan 0.000 0.440 117 T N -3.951 110.559 114.554 -0.073 0.000 3.044 117 T HA 0.329 4.681 4.350 0.003 0.000 0.260 117 T C -0.089 174.548 174.700 -0.105 0.000 1.019 117 T CA -0.392 61.651 62.100 -0.096 0.000 0.921 117 T CB 0.864 69.697 68.868 -0.058 0.000 1.053 117 T HN -0.060 nan 8.240 nan 0.000 0.533 118 V N 2.539 122.378 119.914 -0.124 0.000 2.488 118 V HA 0.741 4.863 4.120 0.003 0.000 0.293 118 V C -0.531 175.239 176.094 -0.539 0.000 1.027 118 V CA -0.452 61.729 62.300 -0.198 0.000 0.862 118 V CB 1.328 33.120 31.823 -0.052 0.000 1.008 118 V HN 0.701 nan 8.190 nan 0.000 0.428 119 S N 3.385 118.679 115.700 -0.677 0.000 2.672 119 S HA 0.947 5.418 4.470 0.003 0.000 0.271 119 S C -0.528 173.784 174.600 -0.480 0.000 1.171 119 S CA -0.318 57.217 58.200 -1.108 0.000 0.817 119 S CB 1.894 64.876 63.200 -0.363 0.000 1.150 119 S HN 1.351 nan 8.310 nan 0.000 0.478 120 A N 0.207 122.956 122.820 -0.118 0.000 2.295 120 A HA 0.826 5.147 4.320 0.003 0.000 0.318 120 A C -0.072 177.632 177.584 0.200 0.000 1.134 120 A CA -0.734 51.441 52.037 0.229 0.000 0.827 120 A CB 1.047 20.274 19.000 0.379 0.000 1.136 120 A HN 1.440 nan 8.150 nan 0.000 0.493 121 V N 0.893 120.782 119.914 -0.040 0.000 2.837 121 V HA 0.416 4.538 4.120 0.003 0.000 0.310 121 V C 0.179 176.122 176.094 -0.251 0.000 1.059 121 V CA -0.638 61.310 62.300 -0.587 0.000 1.004 121 V CB 1.130 32.308 31.823 -1.076 0.000 1.045 121 V HN 1.037 nan 8.190 nan 0.000 0.465 122 c N 5.399 123.854 118.600 -0.241 0.000 2.534 122 c HA 0.508 5.079 4.570 0.003 0.000 0.385 122 c C 0.198 174.233 174.090 -0.091 0.000 1.264 122 c CA -0.721 55.550 56.329 -0.097 0.000 2.342 122 c CB 0.080 42.562 42.510 -0.048 0.000 2.564 122 c HN 0.751 nan 8.230 nan 0.000 0.603 123 L N 4.196 125.395 121.223 -0.039 0.000 2.331 123 L HA 0.500 4.841 4.340 0.003 0.000 0.275 123 L C -1.754 175.127 176.870 0.018 0.000 1.022 123 L CA -1.226 53.600 54.840 -0.023 0.000 0.812 123 L CB 1.570 43.617 42.059 -0.021 0.000 1.257 123 L HN 0.511 nan 8.230 nan 0.000 0.435 124 P HA 0.256 nan 4.420 nan 0.000 0.281 124 P C -0.993 176.359 177.300 0.086 0.000 1.281 124 P CA -0.531 62.647 63.100 0.130 0.000 0.811 124 P CB 1.293 33.138 31.700 0.242 0.000 1.154 125 S N -0.542 115.209 115.700 0.085 0.000 2.585 125 S HA 0.381 4.852 4.470 0.003 0.000 0.277 125 S C 1.501 176.138 174.600 0.061 0.000 1.241 125 S CA -0.124 58.103 58.200 0.045 0.000 1.041 125 S CB 1.126 64.336 63.200 0.016 0.000 0.987 125 S HN 0.571 nan 8.310 nan 0.000 0.512 126 A N 2.123 124.971 122.820 0.047 0.000 2.032 126 A HA -0.124 4.197 4.320 0.003 0.000 0.221 126 A C 2.038 179.650 177.584 0.048 0.000 1.165 126 A CA 2.006 54.076 52.037 0.054 0.000 0.645 126 A CB -0.793 18.233 19.000 0.044 0.000 0.807 126 A HN 0.855 nan 8.150 nan 0.000 0.453 127 S N -0.561 115.155 115.700 0.026 0.000 2.575 127 S HA 0.071 4.542 4.470 0.003 0.000 0.215 127 S C 0.015 174.605 174.600 -0.016 0.000 0.966 127 S CA -0.287 57.917 58.200 0.007 0.000 0.911 127 S CB -0.231 62.965 63.200 -0.007 0.000 0.780 127 S HN 0.426 nan 8.310 nan 0.000 0.514 128 D N 2.928 123.322 120.400 -0.011 0.000 2.472 128 D HA 0.227 4.869 4.640 0.003 0.000 0.237 128 D C -0.664 175.560 176.300 -0.127 0.000 1.141 128 D CA 0.720 54.648 54.000 -0.120 0.000 0.875 128 D CB 0.767 41.514 40.800 -0.089 0.000 1.192 128 D HN 0.392 nan 8.370 nan 0.000 0.450 129 D N 1.219 121.439 120.400 -0.301 0.000 2.462 129 D HA 0.203 4.844 4.640 0.003 0.000 0.245 129 D C -1.257 174.857 176.300 -0.311 0.000 1.122 129 D CA -0.560 53.334 54.000 -0.176 0.000 0.864 129 D CB 0.076 40.812 40.800 -0.106 0.000 1.098 129 D HN 0.038 nan 8.370 nan 0.000 0.541 130 F N 2.908 122.851 119.950 -0.012 0.000 2.335 130 F HA 0.498 5.027 4.527 0.003 0.000 0.365 130 F C 1.126 176.919 175.800 -0.012 0.000 1.122 130 F CA -0.941 57.050 58.000 -0.016 0.000 1.151 130 F CB 0.763 39.751 39.000 -0.019 0.000 1.282 130 F HN 0.369 nan 8.300 nan 0.000 0.513 131 A N 2.551 125.419 122.820 0.079 0.000 2.587 131 A HA 0.400 4.721 4.320 0.003 0.000 0.233 131 A C 0.639 178.264 177.584 0.068 0.000 1.049 131 A CA -0.003 52.066 52.037 0.053 0.000 0.754 131 A CB -0.186 18.826 19.000 0.020 0.000 0.977 131 A HN 0.897 nan 8.150 nan 0.000 0.509 132 A N 1.293 124.143 122.820 0.050 0.000 2.483 132 A HA 0.521 4.842 4.320 0.003 0.000 0.238 132 A C 1.692 179.296 177.584 0.034 0.000 1.070 132 A CA 0.781 52.843 52.037 0.042 0.000 0.770 132 A CB -0.428 18.593 19.000 0.036 0.000 1.008 132 A HN 2.791 nan 8.150 nan 0.000 0.497 133 G N 1.128 109.945 108.800 0.028 0.000 2.234 133 G HA2 -0.215 3.746 3.960 0.003 0.000 0.235 133 G HA3 -0.215 3.746 3.960 0.003 0.000 0.235 133 G C 0.550 175.467 174.900 0.029 0.000 0.997 133 G CA 0.398 45.512 45.100 0.024 0.000 0.623 133 G HN 1.243 nan 8.290 nan 0.000 0.514 134 T N 2.692 117.270 114.554 0.041 0.000 2.908 134 T HA 0.422 4.774 4.350 0.003 0.000 0.301 134 T C 0.607 175.334 174.700 0.044 0.000 1.019 134 T CA 1.108 63.239 62.100 0.053 0.000 1.152 134 T CB 0.930 69.854 68.868 0.093 0.000 0.966 134 T HN 0.275 nan 8.240 nan 0.000 0.540 135 T N 4.400 118.985 114.554 0.052 0.000 2.729 135 T HA 0.356 4.707 4.350 0.003 0.000 0.296 135 T C 0.355 175.111 174.700 0.094 0.000 0.928 135 T CA -0.563 61.572 62.100 0.059 0.000 1.045 135 T CB -0.181 68.728 68.868 0.069 0.000 0.902 135 T HN 0.690 nan 8.240 nan 0.000 0.500 136 c N 2.884 121.521 118.600 0.061 0.000 2.857 136 c HA 0.892 5.463 4.570 0.003 0.000 0.397 136 c C -0.012 174.102 174.090 0.040 0.000 1.558 136 c CA -0.666 55.719 56.329 0.092 0.000 1.694 136 c CB 1.512 44.006 42.510 -0.027 0.000 2.120 136 c HN 0.597 nan 8.230 nan 0.000 0.475 137 V N 0.218 120.108 119.914 -0.040 0.000 2.841 137 V HA 0.709 4.830 4.120 0.003 0.000 0.310 137 V C -0.349 175.530 176.094 -0.359 0.000 1.090 137 V CA -0.157 62.009 62.300 -0.224 0.000 0.930 137 V CB 1.959 33.553 31.823 -0.383 0.000 1.014 137 V HN 0.968 nan 8.190 nan 0.000 0.425 138 T N 2.242 116.584 114.554 -0.352 0.000 2.893 138 T HA 0.827 5.178 4.350 0.003 0.000 0.291 138 T C -0.500 173.953 174.700 -0.413 0.000 1.028 138 T CA 0.044 61.952 62.100 -0.321 0.000 0.995 138 T CB 1.666 70.445 68.868 -0.147 0.000 1.051 138 T HN 1.100 nan 8.240 nan 0.000 0.470 139 T N 0.150 114.454 114.554 -0.417 0.000 2.883 139 T HA 0.927 5.279 4.350 0.003 0.000 0.296 139 T C -0.020 174.475 174.700 -0.342 0.000 1.117 139 T CA -0.285 61.522 62.100 -0.488 0.000 1.006 139 T CB 1.615 70.010 68.868 -0.789 0.000 1.191 139 T HN 1.259 nan 8.240 nan 0.000 0.508 140 G N -0.595 107.948 108.800 -0.428 0.000 2.321 140 G HA2 0.343 4.304 3.960 0.003 0.000 0.298 140 G HA3 0.343 4.304 3.960 0.003 0.000 0.298 140 G C -1.382 173.262 174.900 -0.426 0.000 1.385 140 G CA -0.832 44.058 45.100 -0.349 0.000 0.856 140 G HN 0.693 nan 8.290 nan 0.000 0.584 141 W N 1.309 122.506 121.300 -0.172 0.000 3.015 141 W HA 0.414 5.075 4.660 0.001 0.000 0.429 141 W C 1.064 177.465 176.519 -0.198 0.000 0.976 141 W CA -0.162 57.014 57.345 -0.282 0.000 2.086 141 W CB 0.888 30.000 29.460 -0.580 0.000 1.125 141 W HN 0.823 nan 8.180 nan 0.000 0.721 142 G N 0.811 109.658 108.800 0.078 0.000 2.634 142 G HA2 0.334 4.295 3.960 0.003 0.000 0.255 142 G HA3 0.334 4.295 3.960 0.003 0.000 0.255 142 G C 0.064 175.002 174.900 0.063 0.000 1.205 142 G CA -0.682 44.476 45.100 0.097 0.000 0.884 142 G HN -0.009 nan 8.290 nan 0.000 0.549 143 L N -0.105 121.169 121.223 0.085 0.000 2.543 143 L HA 0.023 4.365 4.340 0.003 0.000 0.285 143 L C 1.982 178.888 176.870 0.060 0.000 1.236 143 L CA 0.533 55.419 54.840 0.076 0.000 0.871 143 L CB 0.484 42.610 42.059 0.113 0.000 1.121 143 L HN 0.798 nan 8.230 nan 0.000 0.501 144 T N -0.778 113.801 114.554 0.043 0.000 3.040 144 T HA 0.132 4.483 4.350 0.003 0.000 0.250 144 T C 0.557 175.286 174.700 0.048 0.000 1.058 144 T CA -0.222 61.896 62.100 0.031 0.000 0.988 144 T CB 0.194 69.069 68.868 0.012 0.000 0.993 144 T HN 0.600 nan 8.240 nan 0.000 0.519 145 R N -0.258 120.281 120.500 0.065 0.000 2.548 145 R HA 0.483 4.824 4.340 0.003 0.000 0.280 145 R C -1.890 174.477 176.300 0.112 0.000 1.061 145 R CA -0.836 55.311 56.100 0.078 0.000 0.915 145 R CB 1.524 31.849 30.300 0.042 0.000 1.210 145 R HN 0.233 nan 8.270 nan 0.000 0.442 150 N N 0.314 119.025 118.700 0.019 0.000 2.404 150 N HA 0.739 5.481 4.740 0.003 0.000 0.297 150 N C 0.319 175.839 175.510 0.017 0.000 1.163 150 N CA 0.556 53.622 53.050 0.028 0.000 0.864 150 N CB 1.550 40.051 38.487 0.022 0.000 1.247 150 N HN 0.917 nan 8.380 nan 0.000 0.510 151 T N -0.291 114.265 114.554 0.005 0.000 2.898 151 T HA 0.361 4.713 4.350 0.003 0.000 0.301 151 T C -2.283 172.407 174.700 -0.016 0.000 1.049 151 T CA -1.136 60.961 62.100 -0.006 0.000 1.095 151 T CB 0.692 69.532 68.868 -0.047 0.000 0.976 151 T HN 0.411 nan 8.240 nan 0.000 0.539 152 P HA 0.248 nan 4.420 nan 0.000 0.271 152 P C 0.005 177.313 177.300 0.012 0.000 1.218 152 P CA -0.340 62.760 63.100 -0.001 0.000 0.780 152 P CB 0.809 32.505 31.700 -0.007 0.000 0.901 153 D N 1.329 121.709 120.400 -0.033 0.000 2.123 153 D HA -0.033 4.609 4.640 0.003 0.000 0.200 153 D C 0.740 177.013 176.300 -0.045 0.000 0.976 153 D CA 1.252 55.208 54.000 -0.073 0.000 0.831 153 D CB 0.167 40.911 40.800 -0.093 0.000 0.974 153 D HN 0.392 nan 8.370 nan 0.000 0.469 154 R N 0.714 121.128 120.500 -0.143 0.000 2.349 154 R HA 0.291 4.633 4.340 0.003 0.000 0.299 154 R C -0.195 175.886 176.300 -0.366 0.000 1.027 154 R CA -0.990 54.834 56.100 -0.461 0.000 0.958 154 R CB 1.353 31.291 30.300 -0.603 0.000 1.047 154 R HN -0.022 nan 8.270 nan 0.000 0.468 155 L N 2.894 123.773 121.223 -0.574 0.000 2.578 155 L HA -0.102 4.240 4.340 0.003 0.000 0.279 155 L C -0.280 176.345 176.870 -0.409 0.000 1.227 155 L CA 1.177 55.496 54.840 -0.867 0.000 0.900 155 L CB 0.315 41.953 42.059 -0.702 0.000 1.144 155 L HN 0.471 nan 8.230 nan 0.000 0.496 156 Q N 4.348 123.886 119.800 -0.437 0.000 2.297 156 Q HA 0.528 4.870 4.340 0.003 0.000 0.269 156 Q C -1.027 174.827 176.000 -0.242 0.000 1.051 156 Q CA -0.592 55.075 55.803 -0.227 0.000 0.869 156 Q CB 2.015 30.648 28.738 -0.176 0.000 1.346 156 Q HN 0.781 nan 8.270 nan 0.000 0.457 157 Q N -1.134 118.576 119.800 -0.151 0.000 2.511 157 Q HA 0.901 5.243 4.340 0.003 0.000 0.289 157 Q C -1.773 174.155 176.000 -0.120 0.000 1.021 157 Q CA -1.230 54.455 55.803 -0.197 0.000 0.785 157 Q CB 2.205 30.892 28.738 -0.086 0.000 1.472 157 Q HN 0.552 nan 8.270 nan 0.000 0.411 158 A N 0.877 123.611 122.820 -0.144 0.000 2.555 158 A HA 0.626 4.948 4.320 0.003 0.000 0.297 158 A C -1.244 176.293 177.584 -0.078 0.000 1.060 158 A CA -0.670 51.321 52.037 -0.078 0.000 0.710 158 A CB 2.118 21.080 19.000 -0.064 0.000 1.282 158 A HN 0.549 nan 8.150 nan 0.000 0.399 159 S N 1.281 116.967 115.700 -0.024 0.000 2.525 159 S HA 0.777 5.248 4.470 0.003 0.000 0.278 159 S C -0.206 174.387 174.600 -0.011 0.000 1.234 159 S CA -0.384 57.816 58.200 -0.000 0.000 1.058 159 S CB 0.501 63.730 63.200 0.049 0.000 0.983 159 S HN 1.201 nan 8.310 nan 0.000 0.495 160 L N 0.690 121.900 121.223 -0.021 0.000 2.518 160 L HA 0.803 5.145 4.340 0.003 0.000 0.257 160 L C -3.174 173.679 176.870 -0.027 0.000 0.980 160 L CA -2.422 52.402 54.840 -0.026 0.000 0.837 160 L CB 2.427 44.460 42.059 -0.043 0.000 1.410 160 L HN 0.324 nan 8.230 nan 0.000 0.410 161 P HA 0.381 nan 4.420 nan 0.000 0.286 161 P C -0.865 176.420 177.300 -0.026 0.000 1.261 161 P CA -0.500 62.593 63.100 -0.011 0.000 0.821 161 P CB 1.922 33.624 31.700 0.003 0.000 1.013 162 L N 2.463 123.673 121.223 -0.021 0.000 2.417 162 L HA 0.306 4.648 4.340 0.003 0.000 0.268 162 L C 0.634 177.508 176.870 0.006 0.000 1.158 162 L CA -0.458 54.367 54.840 -0.024 0.000 0.819 162 L CB -0.027 42.029 42.059 -0.004 0.000 1.112 162 L HN 0.244 nan 8.230 nan 0.000 0.458 163 L N 1.369 122.602 121.223 0.016 0.000 2.342 163 L HA 0.417 4.758 4.340 0.003 0.000 0.271 163 L C 0.321 177.217 176.870 0.043 0.000 1.008 163 L CA -0.626 54.234 54.840 0.033 0.000 0.818 163 L CB 2.021 44.106 42.059 0.044 0.000 1.296 163 L HN 0.680 nan 8.230 nan 0.000 0.427 164 S N 0.167 115.894 115.700 0.044 0.000 2.585 164 S HA 0.144 4.616 4.470 0.003 0.000 0.273 164 S C 0.752 175.388 174.600 0.060 0.000 1.339 164 S CA -0.694 57.535 58.200 0.048 0.000 1.028 164 S CB 0.802 64.027 63.200 0.042 0.000 0.906 164 S HN 0.623 nan 8.310 nan 0.000 0.528 165 N N 1.660 120.398 118.700 0.062 0.000 2.166 165 N HA -0.099 4.642 4.740 0.003 0.000 0.186 165 N C 1.635 177.193 175.510 0.080 0.000 1.019 165 N CA 1.685 54.780 53.050 0.074 0.000 0.856 165 N CB -0.963 37.565 38.487 0.068 0.000 0.993 165 N HN 0.744 nan 8.380 nan 0.000 0.426 166 T N 1.816 116.408 114.554 0.064 0.000 2.708 166 T HA -0.050 4.302 4.350 0.003 0.000 0.266 166 T C 1.615 176.355 174.700 0.066 0.000 1.037 166 T CA 0.906 63.041 62.100 0.060 0.000 1.146 166 T CB -0.127 68.768 68.868 0.045 0.000 0.865 166 T HN 0.276 nan 8.240 nan 0.000 0.435 167 N N 0.470 119.207 118.700 0.063 0.000 2.244 167 N HA -0.051 4.690 4.740 0.003 0.000 0.183 167 N C 2.126 177.690 175.510 0.090 0.000 1.016 167 N CA 0.604 53.691 53.050 0.062 0.000 0.866 167 N CB -0.654 37.861 38.487 0.047 0.000 0.980 167 N HN 0.360 nan 8.380 nan 0.000 0.430 168 c N 1.738 120.407 118.600 0.115 0.000 2.453 168 c HA 0.010 4.582 4.570 0.003 0.000 0.277 168 c C 2.346 176.580 174.090 0.240 0.000 1.262 168 c CA 0.710 57.150 56.329 0.185 0.000 1.718 168 c CB -0.679 41.941 42.510 0.184 0.000 2.031 168 c HN 0.389 nan 8.230 nan 0.000 0.480 169 K N 0.338 120.851 120.400 0.187 0.000 2.360 169 K HA -0.119 4.202 4.320 0.003 0.000 0.201 169 K C 1.972 178.651 176.600 0.130 0.000 1.046 169 K CA 1.016 57.412 56.287 0.181 0.000 0.945 169 K CB -0.138 32.440 32.500 0.130 0.000 0.750 169 K HN 0.559 nan 8.250 nan 0.000 0.464 170 K N -0.429 120.035 120.400 0.107 0.000 2.280 170 K HA -0.191 4.130 4.320 0.003 0.000 0.202 170 K C 1.542 178.179 176.600 0.061 0.000 1.047 170 K CA 1.286 57.615 56.287 0.070 0.000 0.942 170 K CB -0.009 32.528 32.500 0.062 0.000 0.739 170 K HN 0.228 nan 8.250 nan 0.000 0.457 171 Y N -1.433 118.824 120.300 -0.072 0.000 2.447 171 Y HA 0.004 4.555 4.550 0.002 0.000 0.286 171 Y C 1.118 176.883 175.900 -0.225 0.000 1.153 171 Y CA 0.437 58.392 58.100 -0.241 0.000 1.241 171 Y CB 0.018 38.205 38.460 -0.455 0.000 1.284 171 Y HN -0.022 nan 8.280 nan 0.000 0.520 172 W N 1.446 122.844 121.300 0.162 0.000 3.047 172 W HA 0.306 4.967 4.660 0.002 0.000 0.250 172 W C 1.674 178.237 176.519 0.073 0.000 1.314 172 W CA 0.751 58.174 57.345 0.129 0.000 1.540 172 W CB -0.367 29.261 29.460 0.280 0.000 1.127 172 W HN 0.449 nan 8.180 nan 0.000 0.679 173 G N 1.410 110.343 108.800 0.221 0.000 2.614 173 G HA2 -0.491 3.471 3.960 0.003 0.000 0.303 173 G HA3 -0.491 3.471 3.960 0.003 0.000 0.303 173 G C 1.001 175.999 174.900 0.164 0.000 1.270 173 G CA 1.757 46.943 45.100 0.143 0.000 0.988 173 G HN 0.304 nan 8.290 nan 0.000 0.551 174 T N -0.895 113.729 114.554 0.115 0.000 3.163 174 T HA 0.181 4.533 4.350 0.003 0.000 0.260 174 T C 1.776 176.539 174.700 0.105 0.000 1.156 174 T CA 1.607 63.764 62.100 0.094 0.000 1.072 174 T CB 0.052 68.951 68.868 0.053 0.000 0.937 174 T HN 0.466 nan 8.240 nan 0.000 0.528 175 K N 0.838 121.337 120.400 0.165 0.000 2.366 175 K HA 0.186 4.508 4.320 0.003 0.000 0.198 175 K C 0.641 177.369 176.600 0.213 0.000 1.044 175 K CA 0.100 56.473 56.287 0.144 0.000 0.973 175 K CB -0.082 32.534 32.500 0.193 0.000 0.767 175 K HN 0.427 nan 8.250 nan 0.000 0.475 176 I N 3.057 123.768 120.570 0.235 0.000 2.379 176 I HA 0.036 4.208 4.170 0.003 0.000 0.290 176 I C 0.579 176.776 176.117 0.134 0.000 1.063 176 I CA -0.243 61.178 61.300 0.203 0.000 1.351 176 I CB 0.374 38.483 38.000 0.182 0.000 1.410 176 I HN -0.177 nan 8.210 nan 0.000 0.505 177 K N 4.632 125.106 120.400 0.123 0.000 2.210 177 K HA 0.234 4.555 4.320 0.003 0.000 0.236 177 K C 0.869 177.512 176.600 0.072 0.000 1.016 177 K CA -0.576 55.758 56.287 0.079 0.000 0.913 177 K CB 0.780 33.315 32.500 0.059 0.000 1.141 177 K HN 0.444 nan 8.250 nan 0.000 0.462 178 D N -0.252 120.180 120.400 0.054 0.000 2.218 178 D HA -0.122 4.519 4.640 0.003 0.000 0.204 178 D C 0.801 177.133 176.300 0.054 0.000 0.976 178 D CA 1.058 55.088 54.000 0.050 0.000 0.853 178 D CB -0.124 40.700 40.800 0.039 0.000 0.939 178 D HN 0.397 nan 8.370 nan 0.000 0.481 179 A N -0.501 122.353 122.820 0.056 0.000 2.532 179 A HA 0.424 4.746 4.320 0.003 0.000 0.273 179 A C 0.391 178.021 177.584 0.076 0.000 1.342 179 A CA -0.433 51.640 52.037 0.060 0.000 0.929 179 A CB -0.525 18.503 19.000 0.048 0.000 1.051 179 A HN 0.179 nan 8.150 nan 0.000 0.521 180 M N -0.108 119.538 119.600 0.078 0.000 2.535 180 M HA 0.600 5.082 4.480 0.003 0.000 0.314 180 M C -0.885 175.448 176.300 0.054 0.000 1.153 180 M CA -0.351 54.992 55.300 0.072 0.000 0.924 180 M CB 2.479 35.131 32.600 0.087 0.000 1.710 180 M HN 0.266 nan 8.290 nan 0.000 0.451 181 I N 1.118 121.718 120.570 0.050 0.000 2.686 181 I HA 0.561 4.733 4.170 0.003 0.000 0.295 181 I C -1.392 174.766 176.117 0.068 0.000 1.114 181 I CA -0.488 60.841 61.300 0.049 0.000 1.038 181 I CB 1.504 39.522 38.000 0.030 0.000 1.238 181 I HN 0.778 nan 8.210 nan 0.000 0.420 182 c N 5.866 124.499 118.600 0.055 0.000 2.397 182 c HA 1.003 5.575 4.570 0.003 0.000 0.343 182 c C 0.232 174.360 174.090 0.062 0.000 1.188 182 c CA -0.267 56.111 56.329 0.082 0.000 1.992 182 c CB 0.707 43.258 42.510 0.069 0.000 2.358 182 c HN 0.862 nan 8.230 nan 0.000 0.518 183 A N 1.179 124.063 122.820 0.108 0.000 2.604 183 A HA 0.935 5.257 4.320 0.003 0.000 0.295 183 A C -0.128 177.502 177.584 0.077 0.000 1.067 183 A CA 0.429 52.471 52.037 0.009 0.000 0.683 183 A CB 0.875 19.742 19.000 -0.221 0.000 1.281 183 A HN 2.562 nan 8.150 nan 0.000 0.407 184 G N -0.093 108.720 108.800 0.022 0.000 2.443 184 G HA2 0.499 4.461 3.960 0.003 0.000 0.209 184 G HA3 0.499 4.461 3.960 0.003 0.000 0.209 184 G C 0.854 175.755 174.900 0.001 0.000 1.176 184 G CA 1.581 46.695 45.100 0.024 0.000 1.074 184 G HN 2.669 nan 8.290 nan 0.000 0.577 185 A N -1.955 120.855 122.820 -0.017 0.000 2.816 185 A HA 0.085 4.407 4.320 0.003 0.000 0.270 185 A C 1.634 179.195 177.584 -0.039 0.000 1.413 185 A CA 2.755 54.759 52.037 -0.055 0.000 0.866 185 A CB -2.163 16.792 19.000 -0.074 0.000 1.032 185 A HN 2.637 nan 8.150 nan 0.000 0.642 186 S N -2.449 113.238 115.700 -0.022 0.000 2.663 186 S HA 0.515 4.987 4.470 0.003 0.000 0.243 186 S C 1.628 176.221 174.600 -0.012 0.000 1.009 186 S CA 1.012 59.203 58.200 -0.015 0.000 0.988 186 S CB 0.339 63.535 63.200 -0.008 0.000 0.896 186 S HN 2.443 nan 8.310 nan 0.000 0.502 187 G N 0.362 109.153 108.800 -0.016 0.000 2.184 187 G HA2 -0.177 3.785 3.960 0.003 0.000 0.206 187 G HA3 -0.177 3.785 3.960 0.003 0.000 0.206 187 G C 0.024 174.921 174.900 -0.006 0.000 0.995 187 G CA 0.037 45.132 45.100 -0.010 0.000 0.651 187 G HN 1.606 nan 8.290 nan 0.000 0.511 188 V N -1.905 118.006 119.914 -0.006 0.000 3.141 188 V HA 1.030 5.152 4.120 0.003 0.000 0.312 188 V C -0.203 175.892 176.094 0.003 0.000 1.157 188 V CA -0.002 62.297 62.300 -0.002 0.000 1.041 188 V CB 1.855 33.675 31.823 -0.006 0.000 1.071 188 V HN 1.971 nan 8.190 nan 0.000 0.441 189 S N -0.200 115.506 115.700 0.009 0.000 2.558 189 S HA 0.605 5.076 4.470 0.003 0.000 0.277 189 S C -0.700 173.912 174.600 0.020 0.000 1.143 189 S CA -0.491 57.718 58.200 0.016 0.000 0.865 189 S CB 1.103 64.303 63.200 0.000 0.000 1.102 189 S HN 1.254 nan 8.310 nan 0.000 0.454 190 S N 0.823 116.537 115.700 0.024 0.000 2.603 190 S HA 0.750 5.221 4.470 0.003 0.000 0.268 190 S C -0.116 174.490 174.600 0.010 0.000 1.317 190 S CA -0.372 57.838 58.200 0.017 0.000 1.012 190 S CB 0.865 64.059 63.200 -0.010 0.000 0.926 190 S HN 0.986 nan 8.310 nan 0.000 0.539 191 c N 2.171 120.794 118.600 0.038 0.000 3.336 191 c HA 0.523 5.094 4.570 0.003 0.000 0.339 191 c C -0.246 173.908 174.090 0.107 0.000 1.468 191 c CA -1.066 55.305 56.329 0.070 0.000 1.287 191 c CB 1.218 43.785 42.510 0.094 0.000 1.682 191 c HN 0.994 nan 8.230 nan 0.000 0.451 192 M N 2.274 121.963 119.600 0.147 0.000 2.453 192 M HA 0.268 4.749 4.480 0.003 0.000 0.420 192 M C 1.154 177.557 176.300 0.173 0.000 1.649 192 M CA 2.468 57.871 55.300 0.172 0.000 0.937 192 M CB -0.486 32.236 32.600 0.202 0.000 2.111 192 M HN 1.339 nan 8.290 nan 0.000 0.497 193 G N 3.333 112.248 108.800 0.192 0.000 2.253 193 G HA2 -0.200 3.761 3.960 0.003 0.000 0.209 193 G HA3 -0.200 3.761 3.960 0.003 0.000 0.209 193 G C 0.353 175.416 174.900 0.273 0.000 0.997 193 G CA 0.148 45.398 45.100 0.251 0.000 0.640 193 G HN 0.711 nan 8.290 nan 0.000 0.496 194 D N 1.001 121.504 120.400 0.172 0.000 2.305 194 D HA 0.173 4.815 4.640 0.003 0.000 0.206 194 D C 1.480 177.845 176.300 0.108 0.000 0.974 194 D CA 0.767 54.844 54.000 0.127 0.000 0.871 194 D CB 0.030 40.871 40.800 0.068 0.000 0.947 194 D HN 0.335 nan 8.370 nan 0.000 0.516 195 S N -0.628 115.147 115.700 0.124 0.000 2.571 195 S HA 0.210 4.681 4.470 0.003 0.000 0.298 195 S C 1.561 176.179 174.600 0.029 0.000 1.280 195 S CA 1.018 59.295 58.200 0.129 0.000 1.052 195 S CB 0.681 64.050 63.200 0.281 0.000 0.799 195 S HN 0.502 nan 8.310 nan 0.000 0.501 196 G N 2.177 110.984 108.800 0.012 0.000 2.267 196 G HA2 -0.216 3.745 3.960 0.003 0.000 0.257 196 G HA3 -0.216 3.745 3.960 0.003 0.000 0.257 196 G C 0.486 175.408 174.900 0.038 0.000 0.998 196 G CA 0.185 45.275 45.100 -0.018 0.000 0.620 196 G HN 1.156 nan 8.290 nan 0.000 0.529 197 G N 0.942 109.777 108.800 0.059 0.000 2.651 197 G HA2 0.573 4.534 3.960 0.003 0.000 0.260 197 G HA3 0.573 4.534 3.960 0.003 0.000 0.260 197 G C -1.850 173.090 174.900 0.067 0.000 1.216 197 G CA -0.089 45.051 45.100 0.066 0.000 0.913 197 G HN 0.424 nan 8.290 nan 0.000 0.535 198 P HA 0.353 nan 4.420 nan 0.000 0.284 198 P C -1.202 176.054 177.300 -0.073 0.000 1.258 198 P CA -0.583 62.521 63.100 0.007 0.000 0.824 198 P CB 2.064 33.800 31.700 0.060 0.000 1.038 199 L N 4.042 125.190 121.223 -0.125 0.000 2.377 199 L HA 0.405 4.747 4.340 0.003 0.000 0.270 199 L C -0.834 175.905 176.870 -0.219 0.000 0.991 199 L CA -0.837 53.846 54.840 -0.262 0.000 0.851 199 L CB 1.084 42.858 42.059 -0.476 0.000 1.218 199 L HN 0.208 nan 8.230 nan 0.000 0.420 200 V N 1.531 121.347 119.914 -0.163 0.000 2.715 200 V HA 0.865 4.987 4.120 0.003 0.000 0.310 200 V C -0.275 175.918 176.094 0.165 0.000 1.054 200 V CA -0.591 61.698 62.300 -0.019 0.000 0.928 200 V CB 1.324 33.212 31.823 0.107 0.000 1.007 200 V HN 0.833 nan 8.190 nan 0.000 0.437 201 c N 2.445 121.128 118.600 0.138 0.000 2.898 201 c HA 0.601 5.172 4.570 0.003 0.000 0.304 201 c C -0.032 174.112 174.090 0.090 0.000 1.237 201 c CA -1.051 55.367 56.329 0.149 0.000 1.529 201 c CB 1.834 44.322 42.510 -0.036 0.000 2.021 201 c HN 1.002 nan 8.230 nan 0.000 0.474 202 K N 1.465 121.795 120.400 -0.116 0.000 2.298 202 K HA 0.340 4.662 4.320 0.003 0.000 0.280 202 K C -0.312 176.271 176.600 -0.028 0.000 1.032 202 K CA 0.088 56.202 56.287 -0.289 0.000 0.958 202 K CB 0.691 32.886 32.500 -0.507 0.000 0.978 202 K HN 0.546 nan 8.250 nan 0.000 0.472 203 K N 3.218 123.604 120.400 -0.024 0.000 2.559 203 K HA 0.114 4.435 4.320 0.003 0.000 0.249 203 K C -1.003 175.567 176.600 -0.049 0.000 0.958 203 K CA -0.383 55.918 56.287 0.024 0.000 0.901 203 K CB 0.424 32.995 32.500 0.119 0.000 1.124 203 K HN 0.604 nan 8.250 nan 0.000 0.437 204 N N 2.973 121.632 118.700 -0.069 0.000 2.754 204 N HA -0.212 4.530 4.740 0.003 0.000 0.248 204 N C 0.535 175.991 175.510 -0.089 0.000 1.093 204 N CA 1.563 54.572 53.050 -0.069 0.000 0.699 204 N CB -1.104 37.353 38.487 -0.050 0.000 1.016 204 N HN 1.053 nan 8.380 nan 0.000 0.552 205 G N -2.578 106.138 108.800 -0.140 0.000 2.234 205 G HA2 -0.142 3.820 3.960 0.003 0.000 0.260 205 G HA3 -0.142 3.820 3.960 0.003 0.000 0.260 205 G C 0.237 174.983 174.900 -0.257 0.000 0.987 205 G CA 0.540 45.524 45.100 -0.193 0.000 0.625 205 G HN 1.207 nan 8.290 nan 0.000 0.532 206 A N -0.260 122.451 122.820 -0.183 0.000 2.290 206 A HA 0.618 4.940 4.320 0.003 0.000 0.310 206 A C -0.040 177.451 177.584 -0.155 0.000 1.202 206 A CA -0.512 51.448 52.037 -0.129 0.000 0.837 206 A CB 0.384 19.368 19.000 -0.027 0.000 1.139 206 A HN 0.594 nan 8.150 nan 0.000 0.509 207 W N 2.046 123.369 121.300 0.038 0.000 2.381 207 W HA 0.369 5.031 4.660 0.003 0.000 0.321 207 W C 0.168 176.558 176.519 -0.215 0.000 1.407 207 W CA 0.601 57.932 57.345 -0.023 0.000 1.274 207 W CB 0.846 30.375 29.460 0.116 0.000 1.310 207 W HN 0.583 nan 8.180 nan 0.000 0.551 208 T N 4.510 119.096 114.554 0.053 0.000 2.841 208 T HA 0.283 4.635 4.350 0.003 0.000 0.283 208 T C -0.861 173.742 174.700 -0.162 0.000 1.000 208 T CA -0.900 61.158 62.100 -0.071 0.000 0.977 208 T CB 1.381 70.267 68.868 0.030 0.000 0.979 208 T HN 0.132 nan 8.240 nan 0.000 0.446 209 L N 4.490 125.594 121.223 -0.198 0.000 2.485 209 L HA 0.217 4.559 4.340 0.003 0.000 0.279 209 L C 0.810 177.544 176.870 -0.227 0.000 1.124 209 L CA 0.563 55.284 54.840 -0.198 0.000 0.888 209 L CB 0.020 41.989 42.059 -0.150 0.000 1.217 209 L HN 0.613 nan 8.230 nan 0.000 0.464 210 V N 4.164 123.886 119.914 -0.320 0.000 2.949 210 V HA 0.419 4.540 4.120 0.003 0.000 0.245 210 V C 1.049 177.011 176.094 -0.220 0.000 1.086 210 V CA 0.838 62.888 62.300 -0.418 0.000 1.097 210 V CB 0.049 31.461 31.823 -0.684 0.000 0.762 210 V HN 0.842 nan 8.190 nan 0.000 0.470 211 G N -0.686 108.009 108.800 -0.175 0.000 2.694 211 G HA2 0.717 4.678 3.960 0.003 0.000 0.290 211 G HA3 0.717 4.678 3.960 0.003 0.000 0.290 211 G C -1.657 173.267 174.900 0.040 0.000 1.386 211 G CA -0.561 44.508 45.100 -0.053 0.000 0.872 211 G HN 0.032 nan 8.290 nan 0.000 0.475 212 I N 0.877 121.541 120.570 0.156 0.000 2.447 212 I HA 0.237 4.409 4.170 0.003 0.000 0.287 212 I C 0.078 176.331 176.117 0.228 0.000 1.023 212 I CA -1.024 60.370 61.300 0.156 0.000 1.083 212 I CB 2.253 40.313 38.000 0.101 0.000 1.245 212 I HN 0.153 nan 8.210 nan 0.000 0.434 213 V N 5.206 125.255 119.914 0.225 0.000 2.539 213 V HA -0.077 4.044 4.120 0.003 0.000 0.300 213 V C 0.850 176.950 176.094 0.010 0.000 1.019 213 V CA 0.885 63.200 62.300 0.026 0.000 1.160 213 V CB 0.649 32.506 31.823 0.057 0.000 0.901 213 V HN 0.987 nan 8.190 nan 0.000 0.481 214 S N 4.878 120.483 115.700 -0.158 0.000 3.393 214 S HA 0.386 4.857 4.470 0.003 0.000 0.209 214 S C -0.089 174.525 174.600 0.024 0.000 0.897 214 S CA 0.063 58.315 58.200 0.086 0.000 0.825 214 S CB 0.583 63.842 63.200 0.099 0.000 0.898 214 S HN 0.889 nan 8.310 nan 0.000 0.615 215 W N -0.087 121.024 121.300 -0.315 0.000 2.961 215 W HA 0.648 5.309 4.660 0.001 0.000 0.368 215 W C -0.136 176.178 176.519 -0.342 0.000 1.213 215 W CA -0.383 56.767 57.345 -0.324 0.000 1.173 215 W CB 0.256 29.510 29.460 -0.344 0.000 1.487 215 W HN 0.664 nan 8.180 nan 0.000 0.585 216 G N 0.303 109.130 108.800 0.044 0.000 2.441 216 G HA2 0.260 4.222 3.960 0.003 0.000 0.225 216 G HA3 0.260 4.222 3.960 0.003 0.000 0.225 216 G C -1.075 174.020 174.900 0.324 0.000 1.200 216 G CA -0.194 44.872 45.100 -0.056 0.000 0.947 216 G HN 0.805 nan 8.290 nan 0.000 0.484 217 S N -0.072 115.856 115.700 0.380 0.000 2.563 217 S HA 0.274 4.746 4.470 0.003 0.000 0.294 217 S C 1.485 176.150 174.600 0.108 0.000 1.279 217 S CA 0.813 59.196 58.200 0.304 0.000 1.069 217 S CB 0.547 63.805 63.200 0.097 0.000 0.828 217 S HN 0.873 nan 8.310 nan 0.000 0.497 218 S N 2.871 118.631 115.700 0.099 0.000 2.603 218 S HA -0.002 4.469 4.470 0.003 0.000 0.229 218 S C 1.466 175.854 174.600 -0.352 0.000 0.972 218 S CA 0.938 59.118 58.200 -0.034 0.000 0.935 218 S CB -0.149 63.081 63.200 0.050 0.000 0.769 218 S HN 0.969 nan 8.310 nan 0.000 0.536 219 T N -3.310 110.979 114.554 -0.442 0.000 3.170 219 T HA 0.186 4.538 4.350 0.003 0.000 0.288 219 T C 0.552 174.878 174.700 -0.624 0.000 0.992 219 T CA -0.098 61.438 62.100 -0.940 0.000 0.909 219 T CB -0.849 67.820 68.868 -0.331 0.000 1.133 219 T HN 0.201 nan 8.240 nan 0.000 0.530 220 c N 1.905 120.298 118.600 -0.345 0.000 4.365 220 c HA -0.148 4.423 4.570 0.003 0.000 0.299 220 c C 1.032 175.081 174.090 -0.068 0.000 1.409 220 c CA 0.376 56.625 56.329 -0.133 0.000 2.007 220 c CB -3.288 39.187 42.510 -0.059 0.000 1.264 220 c HN 0.916 nan 8.230 nan 0.000 0.777 221 S N 0.839 116.494 115.700 -0.075 0.000 2.537 221 S HA 0.306 4.778 4.470 0.003 0.000 0.286 221 S C 1.477 176.044 174.600 -0.054 0.000 1.299 221 S CA 0.684 58.850 58.200 -0.056 0.000 1.067 221 S CB 0.816 63.970 63.200 -0.077 0.000 0.864 221 S HN 0.934 nan 8.310 nan 0.000 0.494 222 T N 1.017 115.547 114.554 -0.039 0.000 3.148 222 T HA 0.031 4.383 4.350 0.003 0.000 0.253 222 T C 1.250 175.916 174.700 -0.056 0.000 1.134 222 T CA 0.620 62.700 62.100 -0.035 0.000 1.051 222 T CB -0.328 68.530 68.868 -0.016 0.000 0.959 222 T HN 0.627 nan 8.240 nan 0.000 0.525 223 S N -0.305 115.341 115.700 -0.089 0.000 2.554 223 S HA 0.267 4.738 4.470 0.003 0.000 0.226 223 S C 0.365 174.837 174.600 -0.214 0.000 0.980 223 S CA -0.641 57.490 58.200 -0.116 0.000 0.939 223 S CB 0.021 63.163 63.200 -0.097 0.000 0.832 223 S HN 0.343 nan 8.310 nan 0.000 0.486 224 T N 4.441 118.845 114.554 -0.251 0.000 2.855 224 T HA 0.544 4.896 4.350 0.003 0.000 0.281 224 T C -3.000 171.579 174.700 -0.201 0.000 1.007 224 T CA -1.602 60.231 62.100 -0.444 0.000 1.009 224 T CB 1.563 70.130 68.868 -0.502 0.000 0.983 224 T HN 0.008 nan 8.240 nan 0.000 0.455 225 P HA 0.275 nan 4.420 nan 0.000 0.268 225 P C -0.006 177.392 177.300 0.164 0.000 1.204 225 P CA -0.141 63.006 63.100 0.077 0.000 0.768 225 P CB 0.396 32.200 31.700 0.175 0.000 0.842 226 G N 1.984 110.825 108.800 0.068 0.000 2.400 226 G HA2 0.489 4.451 3.960 0.003 0.000 0.301 226 G HA3 0.489 4.451 3.960 0.003 0.000 0.301 226 G C -0.926 173.814 174.900 -0.266 0.000 1.154 226 G CA -0.385 44.659 45.100 -0.094 0.000 0.852 226 G HN 0.341 nan 8.290 nan 0.000 0.511 227 V N 1.828 121.261 119.914 -0.801 0.000 2.459 227 V HA 0.492 4.614 4.120 0.003 0.000 0.295 227 V C -1.013 174.558 176.094 -0.872 0.000 1.029 227 V CA -0.687 61.073 62.300 -0.900 0.000 0.874 227 V CB 0.821 31.521 31.823 -1.871 0.000 0.985 227 V HN 0.637 nan 8.190 nan 0.000 0.438 228 Y N 1.520 121.645 120.300 -0.292 0.000 2.536 228 Y HA 0.746 5.298 4.550 0.003 0.000 0.347 228 Y C 0.488 176.348 175.900 -0.067 0.000 1.000 228 Y CA -1.060 56.955 58.100 -0.142 0.000 1.051 228 Y CB 1.731 40.125 38.460 -0.110 0.000 1.259 228 Y HN 0.713 nan 8.280 nan 0.000 0.468 229 A N 2.274 125.175 122.820 0.136 0.000 2.454 229 A HA 0.316 4.637 4.320 0.003 0.000 0.260 229 A C 0.266 177.905 177.584 0.092 0.000 1.106 229 A CA -0.528 51.576 52.037 0.112 0.000 0.780 229 A CB -0.026 19.039 19.000 0.108 0.000 1.044 229 A HN 0.795 nan 8.150 nan 0.000 0.498 230 R N 3.507 124.052 120.500 0.074 0.000 2.309 230 R HA 0.250 4.591 4.340 0.003 0.000 0.331 230 R C 0.408 176.739 176.300 0.052 0.000 1.116 230 R CA -0.299 55.833 56.100 0.053 0.000 0.970 230 R CB 0.129 30.464 30.300 0.058 0.000 1.024 230 R HN 0.570 nan 8.270 nan 0.000 0.472 231 V N 3.211 123.144 119.914 0.031 0.000 2.469 231 V HA -0.271 3.850 4.120 0.003 0.000 0.251 231 V C 2.376 178.509 176.094 0.065 0.000 1.064 231 V CA 2.359 64.684 62.300 0.043 0.000 1.066 231 V CB -0.664 31.162 31.823 0.005 0.000 0.667 231 V HN 0.923 nan 8.190 nan 0.000 0.461 232 T N -0.951 113.647 114.554 0.073 0.000 2.881 232 T HA -0.117 4.234 4.350 0.003 0.000 0.270 232 T C 1.737 176.488 174.700 0.085 0.000 1.068 232 T CA 1.405 63.565 62.100 0.100 0.000 1.131 232 T CB -0.378 68.573 68.868 0.139 0.000 0.871 232 T HN 0.496 nan 8.240 nan 0.000 0.479 233 A N 0.475 123.342 122.820 0.078 0.000 2.208 233 A HA 0.517 4.839 4.320 0.003 0.000 0.209 233 A C 1.980 179.613 177.584 0.082 0.000 1.161 233 A CA 0.293 52.373 52.037 0.071 0.000 0.782 233 A CB -0.363 18.673 19.000 0.061 0.000 0.816 233 A HN 0.571 nan 8.150 nan 0.000 0.477 234 L N -1.974 119.309 121.223 0.100 0.000 2.920 234 L HA 0.172 4.513 4.340 0.003 0.000 0.257 234 L C 1.851 178.854 176.870 0.222 0.000 1.150 234 L CA 0.028 54.957 54.840 0.148 0.000 0.959 234 L CB 0.518 42.644 42.059 0.112 0.000 1.321 234 L HN 0.142 nan 8.230 nan 0.000 0.555 235 V N 0.915 120.914 119.914 0.143 0.000 2.490 235 V HA -0.211 3.911 4.120 0.003 0.000 0.250 235 V C 2.113 178.253 176.094 0.077 0.000 1.061 235 V CA 1.938 64.300 62.300 0.104 0.000 1.064 235 V CB -0.183 31.677 31.823 0.062 0.000 0.670 235 V HN 0.522 nan 8.190 nan 0.000 0.461 236 N N -0.719 118.038 118.700 0.095 0.000 2.188 236 N HA -0.204 4.538 4.740 0.003 0.000 0.184 236 N C 1.373 176.925 175.510 0.070 0.000 1.018 236 N CA 1.846 54.932 53.050 0.059 0.000 0.858 236 N CB -0.526 38.002 38.487 0.068 0.000 0.989 236 N HN 0.822 nan 8.380 nan 0.000 0.426 237 W N 1.756 123.042 121.300 -0.023 0.000 2.388 237 W HA -0.078 4.584 4.660 0.003 0.000 0.294 237 W C 1.789 178.267 176.519 -0.068 0.000 1.212 237 W CA 0.779 58.110 57.345 -0.025 0.000 1.271 237 W CB -0.305 29.159 29.460 0.008 0.000 1.126 237 W HN -0.238 nan 8.180 nan 0.000 0.535 238 V N 1.268 121.135 119.914 -0.078 0.000 2.261 238 V HA -0.339 3.783 4.120 0.003 0.000 0.246 238 V C 2.631 178.445 176.094 -0.466 0.000 1.047 238 V CA 2.191 64.273 62.300 -0.364 0.000 1.015 238 V CB -1.083 30.693 31.823 -0.079 0.000 0.642 238 V HN 0.175 nan 8.190 nan 0.000 0.446 239 Q N -0.123 119.509 119.800 -0.280 0.000 2.096 239 Q HA -0.264 4.078 4.340 0.003 0.000 0.204 239 Q C 2.255 178.060 176.000 -0.326 0.000 0.982 239 Q CA 1.866 57.505 55.803 -0.273 0.000 0.850 239 Q CB -0.483 28.162 28.738 -0.155 0.000 0.901 239 Q HN 0.719 nan 8.270 nan 0.000 0.422 240 Q N -0.374 119.243 119.800 -0.305 0.000 2.084 240 Q HA -0.109 4.233 4.340 0.003 0.000 0.202 240 Q C 2.115 177.869 176.000 -0.410 0.000 0.978 240 Q CA 1.791 57.422 55.803 -0.286 0.000 0.844 240 Q CB -0.128 28.486 28.738 -0.206 0.000 0.898 240 Q HN 0.366 nan 8.270 nan 0.000 0.426 241 T N 1.330 115.490 114.554 -0.657 0.000 2.746 241 T HA -0.088 4.263 4.350 0.003 0.000 0.267 241 T C 1.822 176.031 174.700 -0.818 0.000 1.039 241 T CA 0.887 62.513 62.100 -0.790 0.000 1.142 241 T CB -0.148 68.010 68.868 -1.183 0.000 0.866 241 T HN 0.181 nan 8.240 nan 0.000 0.444 242 L N 0.765 121.451 121.223 -0.896 0.000 2.056 242 L HA -0.006 4.335 4.340 0.003 0.000 0.207 242 L C 3.089 179.679 176.870 -0.467 0.000 1.078 242 L CA 1.152 55.426 54.840 -0.943 0.000 0.749 242 L CB -0.777 40.745 42.059 -0.894 0.000 0.901 242 L HN 0.236 nan 8.230 nan 0.000 0.433 243 A N 0.146 122.755 122.820 -0.352 0.000 1.972 243 A HA -0.048 4.273 4.320 0.003 0.000 0.219 243 A C 2.288 179.785 177.584 -0.145 0.000 1.169 243 A CA 1.618 53.532 52.037 -0.204 0.000 0.635 243 A CB -0.434 18.464 19.000 -0.170 0.000 0.810 243 A HN 0.398 nan 8.150 nan 0.000 0.446 244 A N -1.230 121.487 122.820 -0.171 0.000 2.275 244 A HA 0.297 4.618 4.320 0.003 0.000 0.212 244 A C 0.611 178.177 177.584 -0.030 0.000 1.201 244 A CA -0.114 51.872 52.037 -0.086 0.000 0.843 244 A CB -0.035 18.918 19.000 -0.078 0.000 0.873 244 A HN 0.497 nan 8.150 nan 0.000 0.492 245 N N 0.000 118.674 118.700 -0.043 0.000 1.763 245 N HA 0.000 4.742 4.740 0.003 0.000 0.220 245 N CA 0.000 53.122 53.050 0.120 0.000 0.885 245 N CB 0.000 38.584 38.487 0.161 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667