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 1fg3_1_A DATA FIRST_RESID 3 DATA SEQUENCE TVTITDLARE NVRNLTPYQS ARRLGGNGDV WLNANEYPTA VEFQLTQQTL DATA SEQUENCE NRYPECQPKA VIENYAQYAG VKPEQVLVSR GADEGIELLI RAFCEPGKDA DATA SEQUENCE ILYCPPTYGX YSVSAETIGV ECRTVPTLDN WQLDLQGISD KLDGVKVVYV DATA SEQUENCE CSPNNPTGQL INPQDFRTLL ELTRGKAIVV ADEAYIEFCP QASLAGWLAE DATA SEQUENCE YPHLAILRTL SKAFALAGLR CGFTLANEEV INLLXKVIAP YPLSTPVADI DATA SEQUENCE AAQALSPQGI VAXRERVAQI IAEREYLIAA LKEIPCVEQV FDSETNYILA DATA SEQUENCE RFKASSAVFK SLWDQGIILR DQNKQPSLSG CLRITVGTRE ESQRVIDALR DATA SEQUENCE AEQV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.701 174.700 0.001 0.000 1.109 3 T CA 0.000 62.100 62.100 0.001 0.000 1.349 3 T CB 0.000 68.868 68.868 0.001 0.000 0.612 4 V N 3.570 123.485 119.914 0.001 0.000 2.435 4 V HA 0.798 4.917 4.120 -0.000 0.000 0.290 4 V C 1.011 177.106 176.094 0.001 0.000 1.030 4 V CA -0.169 62.132 62.300 0.001 0.000 0.881 4 V CB 1.523 33.346 31.823 0.001 0.000 0.983 4 V HN 1.229 nan 8.190 nan 0.000 0.445 5 T N 2.175 116.730 114.554 0.001 0.000 2.927 5 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 5 T C 1.241 175.942 174.700 0.001 0.000 0.998 5 T CA -0.723 61.378 62.100 0.001 0.000 1.019 5 T CB 1.091 69.960 68.868 0.001 0.000 1.061 5 T HN 0.246 nan 8.240 nan 0.000 0.518 6 I N 1.104 121.675 120.570 0.001 0.000 2.264 6 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 6 I C 2.654 178.772 176.117 0.002 0.000 1.111 6 I CA 1.453 62.754 61.300 0.002 0.000 1.382 6 I CB -1.965 36.036 38.000 0.002 0.000 1.060 6 I HN 0.773 nan 8.210 nan 0.000 0.418 7 T N 0.773 115.328 114.554 0.001 0.000 2.803 7 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 7 T C 1.404 176.105 174.700 0.002 0.000 1.052 7 T CA 1.385 63.486 62.100 0.001 0.000 1.136 7 T CB -0.248 68.621 68.868 0.001 0.000 0.864 7 T HN 0.332 nan 8.240 nan 0.000 0.467 8 D N 0.970 121.371 120.400 0.002 0.000 2.264 8 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 8 D C 1.913 178.214 176.300 0.002 0.000 0.966 8 D CA 0.567 54.569 54.000 0.002 0.000 0.864 8 D CB -0.092 40.709 40.800 0.002 0.000 0.933 8 D HN 0.378 nan 8.370 nan 0.000 0.499 9 L N 0.465 121.689 121.223 0.002 0.000 2.341 9 L HA 0.119 4.459 4.340 -0.000 0.000 0.214 9 L C 1.347 178.219 176.870 0.003 0.000 1.115 9 L CA -0.154 54.687 54.840 0.002 0.000 0.820 9 L CB -0.248 41.812 42.059 0.002 0.000 0.944 9 L HN -0.130 nan 8.230 nan 0.000 0.452 10 A N 0.728 123.549 122.820 0.003 0.000 2.406 10 A HA 0.253 4.573 4.320 -0.000 0.000 0.243 10 A C 0.316 177.903 177.584 0.003 0.000 1.082 10 A CA -0.236 51.802 52.037 0.003 0.000 0.786 10 A CB 0.140 19.142 19.000 0.003 0.000 1.029 10 A HN 0.240 nan 8.150 nan 0.000 0.495 11 R N 0.046 120.548 120.500 0.004 0.000 2.643 11 R HA 0.350 4.690 4.340 -0.000 0.000 0.270 11 R C 1.666 177.969 176.300 0.005 0.000 1.061 11 R CA 0.490 56.593 56.100 0.005 0.000 1.107 11 R CB 0.238 30.542 30.300 0.006 0.000 0.999 11 R HN 0.933 nan 8.270 nan 0.000 0.460 12 E N 3.054 123.257 120.200 0.006 0.000 2.058 12 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 12 E C 1.442 178.046 176.600 0.007 0.000 0.997 12 E CA 1.872 58.276 56.400 0.006 0.000 0.801 12 E CB -0.866 28.838 29.700 0.007 0.000 0.746 12 E HN 0.861 nan 8.360 nan 0.000 0.450 13 N N 0.717 119.422 118.700 0.008 0.000 2.149 13 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 13 N C 1.976 177.490 175.510 0.007 0.000 1.019 13 N CA 2.077 55.133 53.050 0.010 0.000 0.857 13 N CB -0.623 37.871 38.487 0.013 0.000 0.997 13 N HN 0.357 nan 8.380 nan 0.000 0.426 14 V N 1.276 121.193 119.914 0.006 0.000 2.427 14 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 14 V C 2.761 178.857 176.094 0.003 0.000 1.051 14 V CA 1.386 63.689 62.300 0.004 0.000 1.048 14 V CB -0.551 31.274 31.823 0.004 0.000 0.666 14 V HN 0.300 nan 8.190 nan 0.000 0.456 15 R N 0.352 120.854 120.500 0.003 0.000 2.092 15 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 15 R C 1.983 178.284 176.300 0.001 0.000 1.119 15 R CA 1.428 57.529 56.100 0.002 0.000 0.970 15 R CB -0.252 30.050 30.300 0.002 0.000 0.864 15 R HN 0.552 nan 8.270 nan 0.000 0.440 16 N N 0.973 119.675 118.700 0.002 0.000 2.415 16 N HA -0.022 4.718 4.740 -0.000 0.000 0.176 16 N C 0.570 176.081 175.510 0.001 0.000 1.042 16 N CA 0.220 53.271 53.050 0.002 0.000 0.902 16 N CB -0.159 38.330 38.487 0.004 0.000 0.986 16 N HN 0.093 nan 8.380 nan 0.000 0.447 17 L N 0.004 121.228 121.223 0.002 0.000 2.467 17 L HA 0.341 4.681 4.340 -0.000 0.000 0.270 17 L C 0.049 176.917 176.870 -0.003 0.000 1.205 17 L CA 0.061 54.902 54.840 0.001 0.000 0.828 17 L CB -0.061 41.999 42.059 0.002 0.000 1.101 17 L HN -0.227 nan 8.230 nan 0.000 0.479 18 T N 2.987 117.537 114.554 -0.006 0.000 2.770 18 T HA 0.465 4.814 4.350 -0.000 0.000 0.297 18 T C -2.275 172.419 174.700 -0.011 0.000 0.997 18 T CA -0.779 61.312 62.100 -0.014 0.000 0.949 18 T CB 0.709 69.564 68.868 -0.023 0.000 0.941 18 T HN 0.705 nan 8.240 nan 0.000 0.457 19 P HA -0.008 nan 4.420 nan 0.000 0.267 19 P C -0.234 177.074 177.300 0.014 0.000 1.200 19 P CA -0.489 62.618 63.100 0.013 0.000 0.772 19 P CB 0.471 32.177 31.700 0.011 0.000 0.855 20 Y N 1.201 121.456 120.300 -0.075 0.000 2.987 20 Y HA 0.056 4.606 4.550 -0.000 0.000 0.339 20 Y C 0.901 176.764 175.900 -0.062 0.000 1.272 20 Y CA 1.094 59.138 58.100 -0.094 0.000 1.562 20 Y CB -0.183 38.204 38.460 -0.121 0.000 1.253 20 Y HN 0.554 nan 8.280 nan 0.000 0.604 21 Q N 4.294 123.536 119.800 -0.930 0.000 2.655 21 Q HA 0.435 4.775 4.340 -0.000 0.000 0.228 21 Q C 0.587 175.972 176.000 -1.024 0.000 1.186 21 Q CA 0.004 55.373 55.803 -0.722 0.000 1.004 21 Q CB -0.182 28.321 28.738 -0.391 0.000 1.242 21 Q HN 0.855 nan 8.270 nan 0.000 0.558 22 S N -0.832 114.337 115.700 -0.886 0.000 2.545 22 S HA 0.541 5.011 4.470 -0.000 0.000 0.232 22 S C 1.333 175.912 174.600 -0.036 0.000 1.070 22 S CA 0.553 58.565 58.200 -0.313 0.000 0.923 22 S CB 0.005 63.537 63.200 0.554 0.000 0.806 22 S HN 1.326 nan 8.310 nan 0.000 0.506 23 A N 1.429 124.229 122.820 -0.033 0.000 2.483 23 A HA 0.634 4.954 4.320 -0.000 0.000 0.238 23 A C 0.835 178.473 177.584 0.091 0.000 1.070 23 A CA 0.441 52.505 52.037 0.046 0.000 0.770 23 A CB -0.155 18.864 19.000 0.032 0.000 1.008 23 A HN 1.515 nan 8.150 nan 0.000 0.497 24 R N -0.065 120.553 120.500 0.196 0.000 2.426 24 R HA 0.507 4.847 4.340 -0.000 0.000 0.129 24 R C 0.148 176.748 176.300 0.500 0.000 0.893 24 R CA 0.971 57.279 56.100 0.348 0.000 0.846 24 R CB -1.773 28.758 30.300 0.386 0.000 1.151 24 R HN 2.083 nan 8.270 nan 0.000 0.656 25 R N -0.476 120.240 120.500 0.359 0.000 2.580 25 R HA 1.018 5.358 4.340 -0.000 0.000 0.267 25 R C 0.930 177.459 176.300 0.381 0.000 1.125 25 R CA 0.582 56.914 56.100 0.387 0.000 1.188 25 R CB 0.380 30.796 30.300 0.192 0.000 1.155 25 R HN 1.975 nan 8.270 nan 0.000 0.586 26 L N -0.163 121.283 121.223 0.372 0.000 2.512 26 L HA 0.595 4.935 4.340 -0.000 0.000 0.291 26 L C 0.720 177.709 176.870 0.198 0.000 1.360 26 L CA -0.208 54.748 54.840 0.193 0.000 0.655 26 L CB -0.093 41.946 42.059 -0.034 0.000 0.968 26 L HN 1.576 nan 8.230 nan 0.000 0.517 27 G N -0.285 108.645 108.800 0.215 0.000 2.163 27 G HA2 0.437 4.397 3.960 -0.000 0.000 0.239 27 G HA3 0.437 4.397 3.960 -0.000 0.000 0.239 27 G C 1.547 176.520 174.900 0.122 0.000 1.148 27 G CA 1.210 46.415 45.100 0.175 0.000 0.880 27 G HN 2.474 nan 8.290 nan 0.000 0.466 28 G N 0.720 109.597 108.800 0.129 0.000 2.228 28 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.270 28 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.270 28 G C 1.126 176.036 174.900 0.016 0.000 0.976 28 G CA 1.725 46.865 45.100 0.067 0.000 0.636 28 G HN 1.535 nan 8.290 nan 0.000 0.542 29 N N 0.302 118.996 118.700 -0.010 0.000 2.333 29 N HA 0.468 5.208 4.740 -0.000 0.000 0.183 29 N C 1.733 177.097 175.510 -0.243 0.000 1.030 29 N CA 1.529 54.515 53.050 -0.106 0.000 0.867 29 N CB -0.300 38.125 38.487 -0.103 0.000 1.027 29 N HN 1.406 nan 8.380 nan 0.000 0.435 30 G N -1.335 107.226 108.800 -0.398 0.000 2.353 30 G HA2 0.427 4.387 3.960 -0.000 0.000 0.284 30 G HA3 0.427 4.387 3.960 -0.000 0.000 0.284 30 G C 0.527 175.116 174.900 -0.520 0.000 1.172 30 G CA 0.825 45.491 45.100 -0.723 0.000 0.854 30 G HN 0.599 nan 8.290 nan 0.000 0.485 31 D N 0.626 120.770 120.400 -0.427 0.000 2.380 31 D HA 0.277 4.917 4.640 -0.000 0.000 0.212 31 D C 0.817 176.985 176.300 -0.221 0.000 1.021 31 D CA 0.423 54.298 54.000 -0.209 0.000 0.884 31 D CB 0.387 41.106 40.800 -0.134 0.000 1.001 31 D HN 0.391 nan 8.370 nan 0.000 0.506 32 V N 0.855 120.535 119.914 -0.390 0.000 2.334 32 V HA 0.441 4.561 4.120 -0.000 0.000 0.281 32 V C -1.447 174.416 176.094 -0.386 0.000 1.016 32 V CA -0.964 61.181 62.300 -0.258 0.000 0.832 32 V CB 0.682 32.400 31.823 -0.175 0.000 0.999 32 V HN 0.479 nan 8.190 nan 0.000 0.439 33 W N 6.100 127.359 121.300 -0.069 0.000 2.283 33 W HA 0.666 5.325 4.660 -0.000 0.000 0.317 33 W C 0.071 176.583 176.519 -0.012 0.000 1.042 33 W CA -0.501 56.812 57.345 -0.054 0.000 1.348 33 W CB 0.904 30.340 29.460 -0.040 0.000 1.216 33 W HN 0.386 nan 8.180 nan 0.000 0.404 34 L N 4.955 126.276 121.223 0.164 0.000 3.059 34 L HA 0.194 4.534 4.340 -0.000 0.000 0.298 34 L C 0.872 177.841 176.870 0.164 0.000 1.304 34 L CA -0.072 54.854 54.840 0.144 0.000 0.855 34 L CB -0.213 41.899 42.059 0.088 0.000 1.266 34 L HN 0.545 nan 8.230 nan 0.000 0.572 35 N N -0.132 118.698 118.700 0.216 0.000 2.145 35 N HA 0.109 4.849 4.740 -0.000 0.000 0.219 35 N C 0.717 176.341 175.510 0.190 0.000 1.266 35 N CA 0.426 53.605 53.050 0.216 0.000 0.902 35 N CB 1.020 39.678 38.487 0.285 0.000 1.078 35 N HN 0.187 nan 8.380 nan 0.000 0.513 36 A N 0.464 123.396 122.820 0.187 0.000 2.545 36 A HA 0.299 4.619 4.320 -0.000 0.000 0.263 36 A C 0.079 177.768 177.584 0.175 0.000 1.202 36 A CA -0.340 51.795 52.037 0.164 0.000 0.959 36 A CB -0.179 18.906 19.000 0.142 0.000 1.124 36 A HN 0.131 nan 8.150 nan 0.000 0.543 37 N N 0.864 119.680 118.700 0.193 0.000 2.735 37 N HA -0.151 4.588 4.740 -0.000 0.000 0.248 37 N C -0.577 175.112 175.510 0.299 0.000 1.083 37 N CA 1.521 54.740 53.050 0.281 0.000 0.703 37 N CB -1.469 37.246 38.487 0.381 0.000 1.005 37 N HN 0.819 nan 8.380 nan 0.000 0.550 38 E N -0.517 119.822 120.200 0.232 0.000 2.248 38 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 38 E C -0.095 176.664 176.600 0.264 0.000 1.008 38 E CA -0.841 55.697 56.400 0.229 0.000 0.856 38 E CB 0.882 30.676 29.700 0.157 0.000 1.120 38 E HN 0.213 nan 8.360 nan 0.000 0.397 39 Y N 4.022 124.424 120.300 0.170 0.000 2.511 39 Y HA 0.034 4.584 4.550 -0.000 0.000 0.332 39 Y C -1.367 174.610 175.900 0.128 0.000 1.177 39 Y CA -1.751 56.447 58.100 0.163 0.000 1.422 39 Y CB 0.714 39.265 38.460 0.151 0.000 1.271 39 Y HN 0.451 nan 8.280 nan 0.000 0.550 40 P HA -0.076 nan 4.420 nan 0.000 0.220 40 P C -0.380 176.803 177.300 -0.195 0.000 1.148 40 P CA 1.092 64.038 63.100 -0.256 0.000 0.803 40 P CB 0.312 31.849 31.700 -0.272 0.000 0.782 41 T N 0.307 114.684 114.554 -0.294 0.000 2.863 41 T HA 0.588 4.938 4.350 -0.000 0.000 0.285 41 T C -0.282 174.582 174.700 0.273 0.000 1.009 41 T CA -0.492 61.628 62.100 0.032 0.000 0.989 41 T CB 2.057 70.952 68.868 0.045 0.000 1.004 41 T HN 0.052 nan 8.240 nan 0.000 0.455 42 A N 2.326 125.253 122.820 0.178 0.000 2.425 42 A HA 0.577 4.897 4.320 -0.000 0.000 0.249 42 A C -0.154 177.542 177.584 0.187 0.000 1.084 42 A CA -0.337 51.808 52.037 0.180 0.000 0.781 42 A CB 0.119 19.187 19.000 0.113 0.000 1.019 42 A HN 0.677 nan 8.150 nan 0.000 0.490 43 V N 3.529 123.566 119.914 0.205 0.000 2.444 43 V HA 0.242 4.362 4.120 -0.000 0.000 0.294 43 V C -0.023 176.190 176.094 0.198 0.000 1.022 43 V CA -0.603 61.801 62.300 0.174 0.000 0.850 43 V CB 1.360 33.328 31.823 0.242 0.000 0.992 43 V HN 1.006 nan 8.190 nan 0.000 0.426 44 E N 4.091 124.300 120.200 0.015 0.000 2.331 44 E HA 0.576 4.926 4.350 -0.000 0.000 0.272 44 E C -1.500 174.970 176.600 -0.217 0.000 1.036 44 E CA -0.126 56.277 56.400 0.005 0.000 0.864 44 E CB 1.307 30.988 29.700 -0.033 0.000 1.035 44 E HN 0.486 nan 8.360 nan 0.000 0.408 45 F N 0.996 120.955 119.950 0.015 0.000 2.588 45 F HA 0.200 4.727 4.527 -0.000 0.000 0.314 45 F C -0.046 175.758 175.800 0.007 0.000 1.134 45 F CA -0.971 57.035 58.000 0.011 0.000 0.961 45 F CB 1.848 40.856 39.000 0.012 0.000 1.239 45 F HN 0.164 nan 8.300 nan 0.000 0.448 46 Q N 2.870 122.761 119.800 0.151 0.000 2.297 46 Q HA 0.579 4.919 4.340 -0.000 0.000 0.268 46 Q C -0.504 175.553 176.000 0.094 0.000 1.045 46 Q CA -0.953 54.905 55.803 0.091 0.000 0.861 46 Q CB 2.750 31.513 28.738 0.042 0.000 1.344 46 Q HN 0.632 nan 8.270 nan 0.000 0.452 47 L N 0.983 122.242 121.223 0.061 0.000 2.439 47 L HA 0.206 4.546 4.340 -0.000 0.000 0.269 47 L C 1.330 178.223 176.870 0.038 0.000 1.179 47 L CA 0.245 55.112 54.840 0.046 0.000 0.828 47 L CB 0.417 42.491 42.059 0.025 0.000 1.106 47 L HN 0.868 nan 8.230 nan 0.000 0.467 48 T N -2.995 111.580 114.554 0.036 0.000 2.958 48 T HA 0.127 4.476 4.350 -0.000 0.000 0.256 48 T C 0.498 175.209 174.700 0.019 0.000 0.983 48 T CA 0.235 62.352 62.100 0.029 0.000 0.924 48 T CB 0.387 69.277 68.868 0.037 0.000 1.136 48 T HN 0.565 nan 8.240 nan 0.000 0.506 49 Q N 1.424 121.234 119.800 0.016 0.000 2.425 49 Q HA 0.575 4.915 4.340 -0.000 0.000 0.254 49 Q C -0.347 175.653 176.000 0.000 0.000 1.032 49 Q CA -0.832 54.976 55.803 0.009 0.000 0.798 49 Q CB 0.700 29.443 28.738 0.009 0.000 1.210 49 Q HN 0.326 nan 8.270 nan 0.000 0.491 50 Q N 1.683 121.482 119.800 -0.002 0.000 3.207 50 Q HA 0.143 4.483 4.340 -0.000 0.000 0.335 50 Q C 0.252 176.244 176.000 -0.014 0.000 1.374 50 Q CA 0.377 56.175 55.803 -0.008 0.000 1.023 50 Q CB 0.035 28.769 28.738 -0.006 0.000 1.576 50 Q HN 0.919 nan 8.270 nan 0.000 0.515 51 T N -3.751 110.792 114.554 -0.018 0.000 3.296 51 T HA 0.268 4.618 4.350 -0.000 0.000 0.285 51 T C 1.289 175.963 174.700 -0.044 0.000 1.014 51 T CA -0.276 61.810 62.100 -0.023 0.000 0.920 51 T CB -0.156 68.704 68.868 -0.013 0.000 1.143 51 T HN 0.292 nan 8.240 nan 0.000 0.522 52 L N 1.786 122.978 121.223 -0.051 0.000 2.351 52 L HA -0.115 4.225 4.340 -0.000 0.000 0.220 52 L C 2.639 179.442 176.870 -0.113 0.000 1.127 52 L CA 1.278 56.071 54.840 -0.079 0.000 0.786 52 L CB -0.740 41.278 42.059 -0.068 0.000 0.914 52 L HN 0.555 nan 8.230 nan 0.000 0.443 53 N N -0.006 118.640 118.700 -0.091 0.000 2.457 53 N HA -0.091 4.648 4.740 -0.000 0.000 0.180 53 N C 0.654 176.087 175.510 -0.129 0.000 1.050 53 N CA 0.500 53.487 53.050 -0.104 0.000 0.906 53 N CB 0.104 38.553 38.487 -0.063 0.000 0.968 53 N HN 0.219 nan 8.380 nan 0.000 0.445 54 R N 0.387 120.822 120.500 -0.108 0.000 2.604 54 R HA 0.271 4.611 4.340 -0.000 0.000 0.287 54 R C -0.582 175.638 176.300 -0.133 0.000 0.970 54 R CA -0.867 55.187 56.100 -0.077 0.000 0.946 54 R CB 0.332 30.624 30.300 -0.014 0.000 1.127 54 R HN 0.081 nan 8.270 nan 0.000 0.473 55 Y N 2.629 122.829 120.300 -0.167 0.000 2.480 55 Y HA 0.075 4.625 4.550 -0.000 0.000 0.338 55 Y C -0.985 174.819 175.900 -0.160 0.000 1.220 55 Y CA -0.207 57.717 58.100 -0.294 0.000 1.430 55 Y CB 0.046 38.149 38.460 -0.594 0.000 1.311 55 Y HN 0.429 nan 8.280 nan 0.000 0.575 56 P HA 0.162 nan 4.420 nan 0.000 0.282 56 P C -1.295 176.154 177.300 0.248 0.000 1.287 56 P CA -0.647 62.524 63.100 0.118 0.000 0.792 56 P CB 0.940 32.697 31.700 0.095 0.000 1.163 57 E N -0.988 119.320 120.200 0.181 0.000 2.366 57 E HA 0.074 4.424 4.350 -0.000 0.000 0.266 57 E C 1.052 177.753 176.600 0.168 0.000 1.051 57 E CA -0.535 55.967 56.400 0.169 0.000 0.884 57 E CB 0.496 30.251 29.700 0.091 0.000 1.006 57 E HN 0.377 nan 8.360 nan 0.000 0.417 58 C N 2.352 121.695 119.300 0.071 0.000 2.413 58 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 58 C C 0.500 175.482 174.990 -0.013 0.000 1.248 58 C CA 0.906 59.894 59.018 -0.050 0.000 1.742 58 C CB -0.309 27.325 27.740 -0.176 0.000 2.017 58 C HN 0.542 nan 8.230 nan 0.000 0.481 59 Q N 0.526 120.328 119.800 0.003 0.000 2.616 59 Q HA 0.338 4.678 4.340 -0.000 0.000 0.250 59 Q C -2.615 173.404 176.000 0.032 0.000 0.991 59 Q CA -1.680 54.128 55.803 0.009 0.000 0.707 59 Q CB 0.972 29.713 28.738 0.006 0.000 1.247 59 Q HN 0.357 nan 8.270 nan 0.000 0.491 60 P HA -0.098 nan 4.420 nan 0.000 0.258 60 P C 0.857 178.190 177.300 0.055 0.000 1.172 60 P CA 0.464 63.592 63.100 0.046 0.000 0.762 60 P CB 0.732 32.454 31.700 0.038 0.000 0.764 61 K N 4.387 124.817 120.400 0.050 0.000 2.032 61 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 61 K C 1.832 178.466 176.600 0.057 0.000 1.048 61 K CA 1.775 58.093 56.287 0.051 0.000 0.927 61 K CB -0.465 32.059 32.500 0.041 0.000 0.712 61 K HN 0.438 nan 8.250 nan 0.000 0.441 62 A N 0.661 123.513 122.820 0.052 0.000 1.892 62 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 62 A C 2.260 179.887 177.584 0.071 0.000 1.188 62 A CA 1.998 54.066 52.037 0.053 0.000 0.631 62 A CB -0.798 18.229 19.000 0.045 0.000 0.822 62 A HN 0.200 nan 8.150 nan 0.000 0.447 63 V N 0.557 120.523 119.914 0.087 0.000 2.295 63 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 63 V C 2.450 178.662 176.094 0.197 0.000 1.049 63 V CA 1.788 64.173 62.300 0.140 0.000 1.024 63 V CB -0.739 31.167 31.823 0.139 0.000 0.648 63 V HN 0.516 nan 8.190 nan 0.000 0.447 64 I N 0.267 120.939 120.570 0.170 0.000 2.226 64 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 64 I C 2.563 178.754 176.117 0.124 0.000 1.100 64 I CA 1.718 63.121 61.300 0.172 0.000 1.374 64 I CB -1.222 36.850 38.000 0.120 0.000 1.057 64 I HN 0.490 nan 8.210 nan 0.000 0.413 65 E N 0.592 120.844 120.200 0.087 0.000 2.072 65 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 65 E C 1.886 178.514 176.600 0.047 0.000 0.985 65 E CA 0.957 57.391 56.400 0.057 0.000 0.801 65 E CB -0.159 29.567 29.700 0.044 0.000 0.750 65 E HN 0.469 nan 8.360 nan 0.000 0.452 66 N N 0.434 119.167 118.700 0.055 0.000 2.120 66 N HA -0.172 4.567 4.740 -0.000 0.000 0.188 66 N C 1.551 177.065 175.510 0.008 0.000 1.024 66 N CA 0.958 54.028 53.050 0.034 0.000 0.852 66 N CB -0.407 38.102 38.487 0.038 0.000 1.003 66 N HN 0.222 nan 8.380 nan 0.000 0.424 67 Y N 1.145 121.384 120.300 -0.101 0.000 2.220 67 Y HA 0.018 4.568 4.550 -0.000 0.000 0.291 67 Y C 2.233 178.063 175.900 -0.117 0.000 1.129 67 Y CA 1.293 59.263 58.100 -0.217 0.000 1.161 67 Y CB -0.371 37.675 38.460 -0.691 0.000 0.997 67 Y HN 0.066 nan 8.280 nan 0.000 0.522 68 A N -0.166 122.660 122.820 0.010 0.000 1.933 68 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 68 A C 2.136 179.669 177.584 -0.085 0.000 1.175 68 A CA 1.700 53.724 52.037 -0.022 0.000 0.628 68 A CB -0.580 18.436 19.000 0.027 0.000 0.814 68 A HN 0.473 nan 8.150 nan 0.000 0.444 69 Q N -1.491 118.275 119.800 -0.055 0.000 2.050 69 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 69 Q C 2.002 177.958 176.000 -0.075 0.000 0.980 69 Q CA 1.995 57.771 55.803 -0.046 0.000 0.840 69 Q CB -0.595 28.138 28.738 -0.009 0.000 0.898 69 Q HN 0.864 nan 8.270 nan 0.000 0.424 70 Y N 0.615 120.773 120.300 -0.238 0.000 2.145 70 Y HA -0.149 4.401 4.550 -0.000 0.000 0.286 70 Y C 1.963 177.675 175.900 -0.313 0.000 1.145 70 Y CA 1.794 59.724 58.100 -0.284 0.000 1.148 70 Y CB -0.571 37.649 38.460 -0.399 0.000 0.981 70 Y HN 0.052 nan 8.280 nan 0.000 0.507 71 A N -0.172 122.157 122.820 -0.817 0.000 2.168 71 A HA 0.253 4.573 4.320 -0.000 0.000 0.215 71 A C 1.948 179.299 177.584 -0.388 0.000 1.152 71 A CA 0.998 52.578 52.037 -0.761 0.000 0.716 71 A CB -1.418 17.265 19.000 -0.528 0.000 0.794 71 A HN 1.175 nan 8.150 nan 0.000 0.465 72 G N -1.184 107.456 108.800 -0.267 0.000 2.147 72 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.244 72 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.244 72 G C 0.308 175.151 174.900 -0.096 0.000 1.005 72 G CA 0.824 45.833 45.100 -0.152 0.000 0.713 72 G HN 1.812 nan 8.290 nan 0.000 0.515 73 V N -4.270 115.593 119.914 -0.085 0.000 3.158 73 V HA 0.880 5.000 4.120 -0.000 0.000 0.315 73 V C 0.397 176.481 176.094 -0.016 0.000 1.148 73 V CA -1.742 60.536 62.300 -0.036 0.000 1.042 73 V CB 1.509 33.321 31.823 -0.018 0.000 1.101 73 V HN 0.256 nan 8.190 nan 0.000 0.448 74 K N 2.181 122.582 120.400 0.002 0.000 2.270 74 K HA 0.345 4.664 4.320 -0.000 0.000 0.276 74 K C -1.740 174.875 176.600 0.025 0.000 1.023 74 K CA -1.202 55.092 56.287 0.011 0.000 0.955 74 K CB 1.024 33.532 32.500 0.013 0.000 0.975 74 K HN 0.577 nan 8.250 nan 0.000 0.471 75 P HA -0.251 nan 4.420 nan 0.000 0.218 75 P C 0.666 177.995 177.300 0.047 0.000 1.148 75 P CA 1.477 64.604 63.100 0.044 0.000 0.822 75 P CB 0.184 31.908 31.700 0.039 0.000 0.784 76 E N 0.472 120.694 120.200 0.037 0.000 2.516 76 E HA -0.149 4.201 4.350 -0.000 0.000 0.199 76 E C 1.102 177.727 176.600 0.041 0.000 1.069 76 E CA 0.652 57.073 56.400 0.036 0.000 0.876 76 E CB -0.534 29.183 29.700 0.027 0.000 0.843 76 E HN 0.418 nan 8.360 nan 0.000 0.530 77 Q N 0.730 120.557 119.800 0.045 0.000 2.204 77 Q HA 0.243 4.583 4.340 -0.000 0.000 0.209 77 Q C -0.517 175.522 176.000 0.066 0.000 0.861 77 Q CA -0.150 55.683 55.803 0.049 0.000 0.971 77 Q CB 1.463 30.225 28.738 0.040 0.000 1.095 77 Q HN 0.020 nan 8.270 nan 0.000 0.486 78 V N 1.319 121.281 119.914 0.079 0.000 2.656 78 V HA 0.495 4.615 4.120 -0.000 0.000 0.307 78 V C -0.802 175.357 176.094 0.108 0.000 1.051 78 V CA -0.889 61.479 62.300 0.113 0.000 0.893 78 V CB 2.358 34.270 31.823 0.148 0.000 0.999 78 V HN 0.175 nan 8.190 nan 0.000 0.426 79 L N 4.461 125.753 121.223 0.114 0.000 2.408 79 L HA 0.863 5.203 4.340 -0.000 0.000 0.268 79 L C -1.270 175.620 176.870 0.033 0.000 0.986 79 L CA -0.640 54.237 54.840 0.062 0.000 0.820 79 L CB 2.103 44.181 42.059 0.033 0.000 1.303 79 L HN 0.539 nan 8.230 nan 0.000 0.411 80 V N 4.482 124.356 119.914 -0.066 0.000 2.459 80 V HA 0.821 4.941 4.120 -0.000 0.000 0.295 80 V C -0.243 175.674 176.094 -0.295 0.000 1.029 80 V CA 0.372 62.467 62.300 -0.342 0.000 0.874 80 V CB 1.930 33.549 31.823 -0.340 0.000 0.985 80 V HN 1.036 nan 8.190 nan 0.000 0.438 81 S N 5.586 121.058 115.700 -0.380 0.000 2.806 81 S HA 0.565 5.035 4.470 -0.000 0.000 0.306 81 S C -0.321 174.129 174.600 -0.250 0.000 1.167 81 S CA -0.960 57.099 58.200 -0.236 0.000 0.847 81 S CB 1.349 64.458 63.200 -0.152 0.000 1.216 81 S HN 0.850 nan 8.310 nan 0.000 0.532 82 R N 0.993 121.399 120.500 -0.158 0.000 2.893 82 R HA 0.469 4.809 4.340 -0.000 0.000 0.243 82 R C 0.760 176.983 176.300 -0.129 0.000 1.481 82 R CA 0.994 57.013 56.100 -0.135 0.000 1.250 82 R CB -1.063 29.186 30.300 -0.084 0.000 1.213 82 R HN 1.284 nan 8.270 nan 0.000 0.609 83 G N 1.517 110.213 108.800 -0.173 0.000 2.860 83 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.553 83 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.553 83 G C 0.459 175.295 174.900 -0.107 0.000 1.439 83 G CA -0.332 44.687 45.100 -0.135 0.000 0.879 83 G HN 0.627 nan 8.290 nan 0.000 0.545 84 A N -0.748 122.033 122.820 -0.065 0.000 2.119 84 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 84 A C 1.978 179.585 177.584 0.039 0.000 1.153 84 A CA 2.122 54.155 52.037 -0.007 0.000 0.692 84 A CB -0.272 18.733 19.000 0.009 0.000 0.799 84 A HN 0.704 nan 8.150 nan 0.000 0.458 85 D N -0.136 120.272 120.400 0.014 0.000 2.097 85 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 85 D C 1.841 178.142 176.300 0.003 0.000 0.989 85 D CA 1.649 55.657 54.000 0.013 0.000 0.827 85 D CB -0.231 40.547 40.800 -0.036 0.000 0.966 85 D HN 0.742 nan 8.370 nan 0.000 0.456 86 E N 0.195 120.384 120.200 -0.018 0.000 2.106 86 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 86 E C 2.133 178.743 176.600 0.017 0.000 0.984 86 E CA 1.144 57.535 56.400 -0.015 0.000 0.806 86 E CB -0.243 29.431 29.700 -0.044 0.000 0.750 86 E HN 0.232 nan 8.360 nan 0.000 0.458 87 G N 1.197 110.012 108.800 0.025 0.000 2.442 87 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 87 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 87 G C 1.552 176.539 174.900 0.144 0.000 1.141 87 G CA 0.985 46.125 45.100 0.066 0.000 0.763 87 G HN 0.268 nan 8.290 nan 0.000 0.554 88 I N 0.328 121.000 120.570 0.170 0.000 2.179 88 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 88 I C 2.790 179.022 176.117 0.192 0.000 1.088 88 I CA 1.020 62.468 61.300 0.247 0.000 1.357 88 I CB -0.182 37.895 38.000 0.128 0.000 1.051 88 I HN 0.123 nan 8.210 nan 0.000 0.409 89 E N 0.920 121.177 120.200 0.094 0.000 2.031 89 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 89 E C 2.398 179.054 176.600 0.094 0.000 0.994 89 E CA 1.263 57.705 56.400 0.069 0.000 0.800 89 E CB -0.376 29.338 29.700 0.023 0.000 0.752 89 E HN 0.489 nan 8.360 nan 0.000 0.447 90 L N 0.594 121.867 121.223 0.084 0.000 2.043 90 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 90 L C 2.686 179.634 176.870 0.130 0.000 1.075 90 L CA 1.015 55.901 54.840 0.076 0.000 0.752 90 L CB -0.571 41.522 42.059 0.057 0.000 0.891 90 L HN 0.118 nan 8.230 nan 0.000 0.432 91 L N -0.604 120.738 121.223 0.198 0.000 2.046 91 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 91 L C 2.436 179.498 176.870 0.320 0.000 1.077 91 L CA 1.358 56.371 54.840 0.287 0.000 0.747 91 L CB -0.364 41.820 42.059 0.208 0.000 0.896 91 L HN 0.212 nan 8.230 nan 0.000 0.432 92 I N -0.787 119.939 120.570 0.260 0.000 2.286 92 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 92 I C 2.779 178.980 176.117 0.141 0.000 1.104 92 I CA 0.922 62.354 61.300 0.220 0.000 1.397 92 I CB -0.289 37.826 38.000 0.191 0.000 1.072 92 I HN 0.216 nan 8.210 nan 0.000 0.417 93 R N 1.257 121.814 120.500 0.095 0.000 2.152 93 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 93 R C 2.093 178.381 176.300 -0.020 0.000 1.117 93 R CA 1.557 57.678 56.100 0.034 0.000 0.981 93 R CB -0.057 30.255 30.300 0.019 0.000 0.870 93 R HN 0.369 nan 8.270 nan 0.000 0.451 94 A N -1.031 121.759 122.820 -0.051 0.000 2.063 94 A HA 0.129 4.449 4.320 -0.000 0.000 0.211 94 A C 1.255 178.557 177.584 -0.469 0.000 1.177 94 A CA 0.242 52.106 52.037 -0.289 0.000 0.759 94 A CB 0.131 18.874 19.000 -0.429 0.000 0.857 94 A HN 0.340 nan 8.150 nan 0.000 0.468 95 F N -1.337 118.629 119.950 0.027 0.000 2.727 95 F HA 0.227 4.754 4.527 -0.000 0.000 0.302 95 F C 0.395 176.213 175.800 0.029 0.000 1.107 95 F CA -0.461 57.553 58.000 0.024 0.000 1.277 95 F CB 0.429 39.440 39.000 0.019 0.000 1.079 95 F HN -0.025 nan 8.300 nan 0.000 0.594 96 C N 1.458 120.868 119.300 0.182 0.000 2.264 96 C HA 0.444 4.904 4.460 -0.000 0.000 0.324 96 C C 0.357 175.394 174.990 0.079 0.000 1.267 96 C CA -0.915 58.181 59.018 0.131 0.000 1.618 96 C CB -0.175 27.648 27.740 0.139 0.000 2.278 96 C HN 0.135 nan 8.230 nan 0.000 0.499 97 E N 4.688 124.927 120.200 0.065 0.000 2.217 97 E HA 0.257 4.607 4.350 -0.000 0.000 0.279 97 E C -2.375 174.250 176.600 0.042 0.000 1.068 97 E CA -1.860 54.566 56.400 0.042 0.000 0.882 97 E CB 0.383 30.105 29.700 0.036 0.000 1.039 97 E HN 0.396 nan 8.360 nan 0.000 0.418 98 P HA 0.043 nan 4.420 nan 0.000 0.262 98 P C 0.511 177.830 177.300 0.031 0.000 1.182 98 P CA 1.246 64.367 63.100 0.034 0.000 0.761 98 P CB 0.697 32.412 31.700 0.026 0.000 0.795 99 G N 2.364 111.184 108.800 0.033 0.000 2.184 99 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.264 99 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.264 99 G C 0.902 175.819 174.900 0.029 0.000 0.975 99 G CA 0.865 45.983 45.100 0.029 0.000 0.642 99 G HN 0.624 nan 8.290 nan 0.000 0.536 100 K N -0.472 119.948 120.400 0.034 0.000 2.418 100 K HA 0.148 4.468 4.320 -0.000 0.000 0.208 100 K C 0.026 176.650 176.600 0.041 0.000 1.261 100 K CA 0.312 56.619 56.287 0.033 0.000 0.874 100 K CB 0.440 32.958 32.500 0.031 0.000 1.451 100 K HN 0.228 nan 8.250 nan 0.000 0.466 101 D N 0.504 120.935 120.400 0.051 0.000 2.387 101 D HA 0.436 5.076 4.640 -0.000 0.000 0.251 101 D C -0.644 175.699 176.300 0.070 0.000 1.141 101 D CA -0.088 53.949 54.000 0.062 0.000 0.987 101 D CB 1.737 42.583 40.800 0.077 0.000 1.116 101 D HN 0.377 nan 8.370 nan 0.000 0.491 102 A N -0.029 122.837 122.820 0.077 0.000 2.566 102 A HA 0.721 5.041 4.320 -0.000 0.000 0.292 102 A C -0.607 177.047 177.584 0.117 0.000 1.112 102 A CA -0.755 51.337 52.037 0.092 0.000 0.707 102 A CB 1.121 20.165 19.000 0.072 0.000 1.302 102 A HN 0.562 nan 8.150 nan 0.000 0.409 103 I N -1.591 119.076 120.570 0.161 0.000 2.982 103 I HA 0.903 5.073 4.170 -0.000 0.000 0.312 103 I C -0.966 175.280 176.117 0.215 0.000 1.041 103 I CA -1.156 60.276 61.300 0.220 0.000 1.053 103 I CB 1.893 40.100 38.000 0.345 0.000 1.248 103 I HN 0.666 nan 8.210 nan 0.000 0.471 104 L N 3.585 124.951 121.223 0.240 0.000 2.464 104 L HA 0.606 4.946 4.340 -0.000 0.000 0.266 104 L C -1.692 175.338 176.870 0.268 0.000 0.965 104 L CA -0.438 54.498 54.840 0.159 0.000 0.833 104 L CB 1.974 44.068 42.059 0.058 0.000 1.296 104 L HN 0.830 nan 8.230 nan 0.000 0.405 105 Y N 1.723 122.088 120.300 0.108 0.000 2.615 105 Y HA 0.735 5.285 4.550 0.000 0.000 0.341 105 Y C -1.138 174.823 175.900 0.102 0.000 1.089 105 Y CA -1.710 56.464 58.100 0.123 0.000 1.049 105 Y CB 1.273 39.855 38.460 0.205 0.000 1.296 105 Y HN 0.390 nan 8.280 nan 0.000 0.470 106 C N 3.041 122.470 119.300 0.216 0.000 2.317 106 C HA 0.500 4.960 4.460 -0.000 0.000 0.306 106 C C -2.521 172.575 174.990 0.177 0.000 1.087 106 C CA -1.519 57.564 59.018 0.108 0.000 1.529 106 C CB -0.325 27.463 27.740 0.080 0.000 1.880 106 C HN 0.537 nan 8.230 nan 0.000 0.417 107 P HA 0.153 nan 4.420 nan 0.000 0.267 107 P C -2.426 174.954 177.300 0.132 0.000 1.200 107 P CA -0.560 62.637 63.100 0.163 0.000 0.772 107 P CB 0.159 31.935 31.700 0.126 0.000 0.855 108 P HA 0.171 nan 4.420 nan 0.000 0.293 108 P C -0.634 176.675 177.300 0.015 0.000 1.300 108 P CA 0.187 63.306 63.100 0.031 0.000 0.792 108 P CB 1.163 32.831 31.700 -0.054 0.000 0.925 109 T N 1.818 116.421 114.554 0.082 0.000 2.626 109 T HA 0.233 4.583 4.350 -0.000 0.000 0.299 109 T C -1.294 173.448 174.700 0.069 0.000 1.181 109 T CA -0.675 61.495 62.100 0.117 0.000 1.053 109 T CB 0.167 69.206 68.868 0.285 0.000 1.566 109 T HN 0.267 nan 8.240 nan 0.000 0.486 110 Y N 1.033 121.248 120.300 -0.141 0.000 2.717 110 Y HA 0.395 4.945 4.550 -0.000 0.000 0.330 110 Y C 1.100 176.657 175.900 -0.572 0.000 1.217 110 Y CA 0.123 57.988 58.100 -0.391 0.000 1.506 110 Y CB 0.136 38.250 38.460 -0.577 0.000 1.268 110 Y HN 0.750 nan 8.280 nan 0.000 0.561 114 S N 0.841 116.206 115.700 -0.558 0.000 2.368 114 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 114 S C 1.793 176.293 174.600 -0.168 0.000 1.029 114 S CA 1.745 59.750 58.200 -0.325 0.000 0.988 114 S CB -0.502 62.527 63.200 -0.286 0.000 0.838 114 S HN 0.215 nan 8.310 nan 0.000 0.462 115 V N 1.535 121.319 119.914 -0.218 0.000 2.255 115 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 115 V C 2.717 178.746 176.094 -0.108 0.000 1.051 115 V CA 2.289 64.506 62.300 -0.138 0.000 1.018 115 V CB -1.184 30.542 31.823 -0.161 0.000 0.641 115 V HN 0.491 nan 8.190 nan 0.000 0.445 116 S N 0.088 115.702 115.700 -0.144 0.000 2.356 116 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 116 S C 2.233 176.814 174.600 -0.032 0.000 1.032 116 S CA 1.513 59.662 58.200 -0.084 0.000 1.005 116 S CB -0.599 62.547 63.200 -0.090 0.000 0.867 116 S HN 0.660 nan 8.310 nan 0.000 0.449 117 A N 1.357 124.162 122.820 -0.025 0.000 1.883 117 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 117 A C 2.064 179.666 177.584 0.031 0.000 1.186 117 A CA 1.822 53.879 52.037 0.033 0.000 0.624 117 A CB -0.726 18.317 19.000 0.071 0.000 0.822 117 A HN 0.583 nan 8.150 nan 0.000 0.444 118 E N -0.955 119.255 120.200 0.017 0.000 2.110 118 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 118 E C 1.981 178.588 176.600 0.012 0.000 0.988 118 E CA 1.648 58.060 56.400 0.021 0.000 0.804 118 E CB -0.100 29.609 29.700 0.015 0.000 0.745 118 E HN 0.611 nan 8.360 nan 0.000 0.458 119 T N 1.071 115.625 114.554 -0.001 0.000 2.737 119 T HA -0.083 4.267 4.350 -0.000 0.000 0.265 119 T C 1.916 176.620 174.700 0.007 0.000 1.038 119 T CA 1.093 63.193 62.100 -0.001 0.000 1.144 119 T CB -0.137 68.725 68.868 -0.011 0.000 0.866 119 T HN 0.177 nan 8.240 nan 0.000 0.434 120 I N 0.634 121.210 120.570 0.011 0.000 2.286 120 I HA 0.002 4.172 4.170 -0.000 0.000 0.248 120 I C 1.898 178.029 176.117 0.023 0.000 1.115 120 I CA 1.221 62.532 61.300 0.019 0.000 1.392 120 I CB -0.370 37.648 38.000 0.029 0.000 1.065 120 I HN 0.525 nan 8.210 nan 0.000 0.418 121 G N 0.809 109.625 108.800 0.028 0.000 2.155 121 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.135 121 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.135 121 G C -0.226 174.699 174.900 0.041 0.000 1.023 121 G CA -0.408 44.710 45.100 0.030 0.000 0.688 121 G HN 0.092 nan 8.290 nan 0.000 0.499 122 V N 0.665 120.610 119.914 0.052 0.000 2.513 122 V HA 0.508 4.628 4.120 -0.000 0.000 0.299 122 V C 0.824 176.965 176.094 0.078 0.000 1.035 122 V CA -0.897 61.444 62.300 0.068 0.000 0.889 122 V CB 1.934 33.809 31.823 0.087 0.000 0.988 122 V HN 0.446 nan 8.190 nan 0.000 0.440 123 E N 2.305 122.550 120.200 0.075 0.000 2.452 123 E HA 0.029 4.379 4.350 -0.000 0.000 0.261 123 E C -1.069 175.598 176.600 0.111 0.000 0.987 123 E CA -0.197 56.249 56.400 0.077 0.000 0.926 123 E CB 0.556 30.292 29.700 0.060 0.000 0.934 123 E HN 0.759 nan 8.360 nan 0.000 0.452 124 C N 5.077 124.450 119.300 0.122 0.000 2.264 124 C HA 0.420 4.880 4.460 -0.000 0.000 0.324 124 C C 0.175 175.205 174.990 0.067 0.000 1.267 124 C CA -0.659 58.474 59.018 0.191 0.000 1.618 124 C CB -0.029 27.892 27.740 0.302 0.000 2.278 124 C HN 0.674 nan 8.230 nan 0.000 0.499 125 R N 2.220 122.733 120.500 0.022 0.000 2.346 125 R HA 0.626 4.966 4.340 -0.000 0.000 0.311 125 R C 0.052 176.207 176.300 -0.241 0.000 0.983 125 R CA 0.188 56.247 56.100 -0.068 0.000 0.880 125 R CB 0.959 31.248 30.300 -0.018 0.000 1.100 125 R HN 0.842 nan 8.270 nan 0.000 0.453 126 T N -0.103 114.292 114.554 -0.265 0.000 2.863 126 T HA 0.608 4.958 4.350 -0.000 0.000 0.285 126 T C -0.841 173.750 174.700 -0.181 0.000 1.009 126 T CA -0.783 61.094 62.100 -0.372 0.000 0.989 126 T CB 1.698 70.305 68.868 -0.434 0.000 1.004 126 T HN 0.200 nan 8.240 nan 0.000 0.455 127 V N 3.941 123.767 119.914 -0.146 0.000 2.443 127 V HA 0.364 4.484 4.120 -0.000 0.000 0.272 127 V C -2.566 173.507 176.094 -0.035 0.000 1.002 127 V CA -1.820 60.440 62.300 -0.067 0.000 0.840 127 V CB 1.079 32.875 31.823 -0.045 0.000 1.042 127 V HN 0.782 nan 8.190 nan 0.000 0.446 128 P HA 0.072 nan 4.420 nan 0.000 0.266 128 P C 0.630 177.957 177.300 0.046 0.000 1.186 128 P CA 0.495 63.612 63.100 0.029 0.000 0.767 128 P CB 0.350 32.068 31.700 0.029 0.000 0.820 129 T N 0.641 115.254 114.554 0.098 0.000 2.726 129 T HA 0.314 4.664 4.350 -0.000 0.000 0.294 129 T C 0.692 175.431 174.700 0.065 0.000 1.013 129 T CA -0.691 61.470 62.100 0.101 0.000 0.996 129 T CB 0.114 69.098 68.868 0.193 0.000 1.016 129 T HN 0.095 nan 8.240 nan 0.000 0.529 130 L N 0.535 121.769 121.223 0.018 0.000 2.464 130 L HA 0.213 4.553 4.340 -0.000 0.000 0.224 130 L C 1.820 178.597 176.870 -0.156 0.000 1.219 130 L CA -0.766 54.045 54.840 -0.049 0.000 0.831 130 L CB 0.051 42.078 42.059 -0.052 0.000 1.284 130 L HN 0.663 nan 8.230 nan 0.000 0.522 131 D N 0.385 120.661 120.400 -0.206 0.000 2.149 131 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 131 D C 1.318 177.216 176.300 -0.670 0.000 0.990 131 D CA 1.555 55.338 54.000 -0.362 0.000 0.839 131 D CB -0.352 40.306 40.800 -0.237 0.000 0.948 131 D HN 0.584 nan 8.370 nan 0.000 0.460 132 N N -0.411 118.025 118.700 -0.441 0.000 2.370 132 N HA -0.138 4.602 4.740 -0.000 0.000 0.198 132 N C 0.031 175.411 175.510 -0.217 0.000 1.156 132 N CA -0.040 52.755 53.050 -0.424 0.000 0.839 132 N CB -0.509 37.884 38.487 -0.156 0.000 0.989 132 N HN 0.233 nan 8.380 nan 0.000 0.468 133 W N -0.494 120.789 121.300 -0.029 0.000 3.160 133 W HA -0.206 4.455 4.660 0.000 0.000 0.299 133 W C -0.585 175.921 176.519 -0.022 0.000 1.141 133 W CA -0.012 57.315 57.345 -0.030 0.000 0.612 133 W CB -2.377 27.057 29.460 -0.044 0.000 2.186 133 W HN 0.240 nan 8.180 nan 0.000 1.364 134 Q N 0.486 120.351 119.800 0.108 0.000 2.317 134 Q HA 0.467 4.807 4.340 -0.000 0.000 0.229 134 Q C 0.912 176.925 176.000 0.021 0.000 0.984 134 Q CA -0.610 55.225 55.803 0.052 0.000 0.911 134 Q CB 0.675 29.425 28.738 0.021 0.000 1.217 134 Q HN 0.127 nan 8.270 nan 0.000 0.501 135 L N 1.537 122.744 121.223 -0.027 0.000 2.490 135 L HA -0.045 4.295 4.340 -0.000 0.000 0.274 135 L C 0.644 177.499 176.870 -0.026 0.000 1.201 135 L CA -0.052 54.762 54.840 -0.043 0.000 0.869 135 L CB -0.002 41.991 42.059 -0.110 0.000 1.123 135 L HN 0.515 nan 8.230 nan 0.000 0.484 136 D N 3.681 124.071 120.400 -0.016 0.000 2.522 136 D HA 0.148 4.788 4.640 -0.000 0.000 0.218 136 D C 1.038 177.328 176.300 -0.017 0.000 1.149 136 D CA -0.084 53.907 54.000 -0.014 0.000 0.981 136 D CB 0.481 41.275 40.800 -0.009 0.000 1.041 136 D HN 0.410 nan 8.370 nan 0.000 0.518 137 L N 1.782 122.994 121.223 -0.018 0.000 2.013 137 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 137 L C 2.486 179.352 176.870 -0.007 0.000 1.073 137 L CA 1.297 56.129 54.840 -0.014 0.000 0.753 137 L CB -0.343 41.712 42.059 -0.008 0.000 0.890 137 L HN 0.462 nan 8.230 nan 0.000 0.432 138 Q N -0.141 119.656 119.800 -0.005 0.000 2.096 138 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 138 Q C 2.152 178.149 176.000 -0.005 0.000 0.982 138 Q CA 1.791 57.592 55.803 -0.003 0.000 0.850 138 Q CB -0.262 28.474 28.738 -0.003 0.000 0.901 138 Q HN 0.557 nan 8.270 nan 0.000 0.422 139 G N 0.794 109.589 108.800 -0.009 0.000 2.422 139 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.218 139 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.218 139 G C 1.379 176.273 174.900 -0.012 0.000 1.146 139 G CA 0.808 45.901 45.100 -0.011 0.000 0.769 139 G HN 0.357 nan 8.290 nan 0.000 0.547 140 I N 1.727 122.290 120.570 -0.011 0.000 2.202 140 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 140 I C 3.197 179.312 176.117 -0.004 0.000 1.091 140 I CA 1.457 62.751 61.300 -0.010 0.000 1.368 140 I CB -0.233 37.760 38.000 -0.011 0.000 1.058 140 I HN 0.330 nan 8.210 nan 0.000 0.410 141 S N -0.053 115.647 115.700 -0.001 0.000 2.402 141 S HA -0.231 4.239 4.470 -0.000 0.000 0.233 141 S C 1.479 176.080 174.600 0.001 0.000 1.030 141 S CA 1.498 59.700 58.200 0.003 0.000 1.003 141 S CB -0.452 62.751 63.200 0.005 0.000 0.813 141 S HN 0.421 nan 8.310 nan 0.000 0.477 142 D N 1.306 121.705 120.400 -0.002 0.000 2.340 142 D HA 0.148 4.788 4.640 -0.000 0.000 0.220 142 D C 0.657 176.955 176.300 -0.003 0.000 1.039 142 D CA 0.521 54.520 54.000 -0.002 0.000 0.866 142 D CB 0.150 40.948 40.800 -0.003 0.000 0.913 142 D HN 0.577 nan 8.370 nan 0.000 0.523 143 K N 0.178 120.576 120.400 -0.004 0.000 2.676 143 K HA 0.267 4.587 4.320 -0.000 0.000 0.205 143 K C 1.201 177.801 176.600 -0.000 0.000 1.084 143 K CA -0.070 56.214 56.287 -0.005 0.000 1.057 143 K CB 1.085 33.577 32.500 -0.013 0.000 0.791 143 K HN -0.054 nan 8.250 nan 0.000 0.484 144 L N 0.730 121.954 121.223 0.003 0.000 2.554 144 L HA 0.049 4.389 4.340 -0.000 0.000 0.226 144 L C -0.129 176.746 176.870 0.009 0.000 1.137 144 L CA 0.441 55.285 54.840 0.006 0.000 0.863 144 L CB -0.038 42.024 42.059 0.005 0.000 0.985 144 L HN 0.170 nan 8.230 nan 0.000 0.451 145 D N 0.510 120.915 120.400 0.008 0.000 2.412 145 D HA 0.288 4.928 4.640 -0.000 0.000 0.257 145 D C 1.109 177.419 176.300 0.016 0.000 1.217 145 D CA 1.344 55.350 54.000 0.011 0.000 0.897 145 D CB 0.687 41.492 40.800 0.009 0.000 1.132 145 D HN 0.260 nan 8.370 nan 0.000 0.493 146 G N 1.769 110.581 108.800 0.020 0.000 2.176 146 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.253 146 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.253 146 G C 0.379 175.301 174.900 0.037 0.000 0.979 146 G CA 0.005 45.122 45.100 0.028 0.000 0.641 146 G HN 0.526 nan 8.290 nan 0.000 0.530 147 V N 1.162 121.095 119.914 0.032 0.000 2.546 147 V HA 0.497 4.617 4.120 -0.000 0.000 0.284 147 V C 1.137 177.250 176.094 0.032 0.000 1.050 147 V CA 0.208 62.531 62.300 0.038 0.000 0.981 147 V CB 1.662 33.503 31.823 0.030 0.000 0.990 147 V HN 0.198 nan 8.190 nan 0.000 0.474 148 K N 2.684 123.110 120.400 0.044 0.000 2.435 148 K HA 0.322 4.642 4.320 -0.000 0.000 0.199 148 K C -0.462 176.118 176.600 -0.033 0.000 1.153 148 K CA 0.489 56.795 56.287 0.032 0.000 0.974 148 K CB 1.507 34.069 32.500 0.103 0.000 0.997 148 K HN 0.456 nan 8.250 nan 0.000 0.547 149 V N 1.824 121.726 119.914 -0.019 0.000 2.623 149 V HA 0.346 4.466 4.120 -0.000 0.000 0.304 149 V C -0.723 175.296 176.094 -0.124 0.000 1.054 149 V CA -0.978 61.242 62.300 -0.134 0.000 0.882 149 V CB 2.437 34.184 31.823 -0.127 0.000 1.002 149 V HN -0.267 nan 8.190 nan 0.000 0.424 150 V N 5.043 124.826 119.914 -0.218 0.000 2.384 150 V HA 0.500 4.620 4.120 -0.000 0.000 0.287 150 V C -1.109 174.822 176.094 -0.272 0.000 1.020 150 V CA -0.702 61.524 62.300 -0.123 0.000 0.850 150 V CB 1.519 33.315 31.823 -0.045 0.000 0.987 150 V HN 0.750 nan 8.190 nan 0.000 0.436 151 Y N 3.335 123.561 120.300 -0.124 0.000 2.330 151 Y HA 0.676 5.226 4.550 -0.000 0.000 0.336 151 Y C 0.044 175.832 175.900 -0.185 0.000 1.036 151 Y CA -0.752 57.154 58.100 -0.323 0.000 1.125 151 Y CB 1.987 39.880 38.460 -0.944 0.000 1.194 151 Y HN 0.346 nan 8.280 nan 0.000 0.469 152 V N 3.305 123.252 119.914 0.056 0.000 2.524 152 V HA 0.185 4.305 4.120 -0.000 0.000 0.297 152 V C -0.833 175.402 176.094 0.235 0.000 1.035 152 V CA -1.064 61.317 62.300 0.135 0.000 0.867 152 V CB 1.708 33.578 31.823 0.078 0.000 1.004 152 V HN 0.933 nan 8.190 nan 0.000 0.426 153 C N 4.653 124.120 119.300 0.278 0.000 2.394 153 C HA 0.752 5.212 4.460 -0.000 0.000 0.362 153 C C 0.565 175.714 174.990 0.265 0.000 1.268 153 C CA 0.217 59.427 59.018 0.320 0.000 1.828 153 C CB -0.116 27.856 27.740 0.388 0.000 2.442 153 C HN 0.961 nan 8.230 nan 0.000 0.549 154 S N 7.884 123.749 115.700 0.274 0.000 2.689 154 S HA 0.558 5.028 4.470 -0.000 0.000 0.274 154 S C -2.835 171.894 174.600 0.216 0.000 1.176 154 S CA -0.746 57.604 58.200 0.250 0.000 1.014 154 S CB 1.644 65.057 63.200 0.354 0.000 1.071 154 S HN 0.755 nan 8.310 nan 0.000 0.478 155 P HA 0.070 nan 4.420 nan 0.000 0.269 155 P C -0.566 176.851 177.300 0.195 0.000 1.209 155 P CA -0.285 62.917 63.100 0.171 0.000 0.776 155 P CB 0.397 32.165 31.700 0.114 0.000 0.876 156 N N 2.423 121.209 118.700 0.143 0.000 2.525 156 N HA 0.016 4.756 4.740 -0.000 0.000 0.271 156 N C -0.433 175.141 175.510 0.108 0.000 1.194 156 N CA -0.211 52.917 53.050 0.131 0.000 0.964 156 N CB 0.303 38.833 38.487 0.071 0.000 1.126 156 N HN 0.329 nan 8.380 nan 0.000 0.452 157 N N 2.594 121.337 118.700 0.072 0.000 2.372 157 N HA 0.344 5.084 4.740 -0.000 0.000 0.291 157 N C -2.183 173.256 175.510 -0.118 0.000 1.024 157 N CA -2.135 50.853 53.050 -0.103 0.000 0.873 157 N CB 1.856 40.266 38.487 -0.128 0.000 1.206 157 N HN 0.382 nan 8.380 nan 0.000 0.486 158 P HA 0.089 nan 4.420 nan 0.000 0.261 158 P C 0.643 177.811 177.300 -0.221 0.000 1.268 158 P CA 0.351 63.257 63.100 -0.323 0.000 0.833 158 P CB 0.164 31.694 31.700 -0.284 0.000 1.231 159 T N -3.990 110.351 114.554 -0.355 0.000 2.867 159 T HA 0.093 4.443 4.350 -0.000 0.000 0.268 159 T C 1.811 176.411 174.700 -0.166 0.000 1.057 159 T CA 1.532 63.292 62.100 -0.566 0.000 1.136 159 T CB -1.158 67.035 68.868 -1.126 0.000 0.874 159 T HN 0.210 nan 8.240 nan 0.000 0.466 160 G N 1.160 109.969 108.800 0.015 0.000 2.217 160 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 160 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 160 G C 0.135 175.022 174.900 -0.021 0.000 0.990 160 G CA 0.278 45.355 45.100 -0.039 0.000 0.627 160 G HN 1.006 nan 8.290 nan 0.000 0.522 161 Q N 1.260 121.093 119.800 0.056 0.000 2.212 161 Q HA 0.714 5.054 4.340 -0.000 0.000 0.238 161 Q C 0.084 176.146 176.000 0.104 0.000 0.955 161 Q CA -0.745 55.120 55.803 0.102 0.000 0.906 161 Q CB 1.097 29.944 28.738 0.181 0.000 1.215 161 Q HN 0.485 nan 8.270 nan 0.000 0.478 162 L N 1.225 122.513 121.223 0.108 0.000 2.357 162 L HA 0.332 4.671 4.340 -0.000 0.000 0.273 162 L C 0.304 177.244 176.870 0.118 0.000 1.080 162 L CA -0.938 53.974 54.840 0.120 0.000 0.803 162 L CB 0.884 43.011 42.059 0.113 0.000 1.174 162 L HN 0.556 nan 8.230 nan 0.000 0.443 163 I N 2.413 123.057 120.570 0.124 0.000 2.428 163 I HA 0.066 4.236 4.170 -0.000 0.000 0.289 163 I C 0.167 176.339 176.117 0.093 0.000 1.019 163 I CA -0.473 60.853 61.300 0.043 0.000 1.351 163 I CB 0.849 38.758 38.000 -0.152 0.000 1.412 163 I HN 0.551 nan 8.210 nan 0.000 0.513 164 N N 9.410 128.147 118.700 0.062 0.000 2.365 164 N HA -0.017 4.723 4.740 -0.000 0.000 0.265 164 N C -1.401 174.217 175.510 0.181 0.000 1.288 164 N CA -0.752 52.362 53.050 0.106 0.000 0.869 164 N CB 0.404 38.935 38.487 0.074 0.000 1.071 164 N HN 0.392 nan 8.380 nan 0.000 0.480 165 P HA -0.190 nan 4.420 nan 0.000 0.218 165 P C 0.879 178.436 177.300 0.428 0.000 1.148 165 P CA 1.344 64.692 63.100 0.413 0.000 0.822 165 P CB 0.434 32.380 31.700 0.409 0.000 0.784 166 Q N -0.339 119.619 119.800 0.264 0.000 2.181 166 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 166 Q C 1.666 177.767 176.000 0.169 0.000 0.980 166 Q CA 1.477 57.396 55.803 0.194 0.000 0.862 166 Q CB -0.388 28.423 28.738 0.122 0.000 0.905 166 Q HN 0.333 nan 8.270 nan 0.000 0.429 167 D N -0.524 119.955 120.400 0.131 0.000 2.234 167 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 167 D C 1.318 177.659 176.300 0.069 0.000 0.962 167 D CA 0.641 54.673 54.000 0.054 0.000 0.855 167 D CB -0.164 40.618 40.800 -0.029 0.000 0.951 167 D HN 0.200 nan 8.370 nan 0.000 0.500 168 F N 1.240 121.246 119.950 0.094 0.000 2.186 168 F HA -0.108 4.419 4.527 0.000 0.000 0.299 168 F C 2.385 178.247 175.800 0.103 0.000 1.090 168 F CA 0.541 58.581 58.000 0.066 0.000 1.307 168 F CB 0.329 39.341 39.000 0.020 0.000 1.019 168 F HN -0.180 nan 8.300 nan 0.000 0.489 169 R N -0.076 120.655 120.500 0.385 0.000 2.080 169 R HA -0.126 4.214 4.340 -0.000 0.000 0.236 169 R C 2.071 178.459 176.300 0.148 0.000 1.137 169 R CA 1.947 58.180 56.100 0.222 0.000 0.943 169 R CB -1.609 28.791 30.300 0.165 0.000 0.846 169 R HN 0.214 nan 8.270 nan 0.000 0.431 170 T N 2.606 117.236 114.554 0.127 0.000 2.652 170 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 170 T C 1.907 176.656 174.700 0.082 0.000 1.039 170 T CA 1.459 63.612 62.100 0.089 0.000 1.153 170 T CB -0.436 68.468 68.868 0.060 0.000 0.863 170 T HN 0.103 nan 8.240 nan 0.000 0.428 171 L N 0.913 122.179 121.223 0.072 0.000 2.043 171 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 171 L C 2.177 179.106 176.870 0.098 0.000 1.075 171 L CA 1.617 56.494 54.840 0.062 0.000 0.752 171 L CB -0.774 41.303 42.059 0.030 0.000 0.891 171 L HN 0.260 nan 8.230 nan 0.000 0.432 172 L N -0.748 120.526 121.223 0.085 0.000 2.191 172 L HA -0.168 4.171 4.340 -0.000 0.000 0.212 172 L C 2.508 179.547 176.870 0.281 0.000 1.103 172 L CA 1.169 56.054 54.840 0.076 0.000 0.769 172 L CB -0.424 41.385 42.059 -0.417 0.000 0.908 172 L HN 0.346 nan 8.230 nan 0.000 0.438 173 E N 0.494 120.810 120.200 0.194 0.000 2.112 173 E HA -0.138 4.211 4.350 -0.000 0.000 0.190 173 E C 2.139 178.806 176.600 0.112 0.000 0.979 173 E CA 1.051 57.559 56.400 0.180 0.000 0.814 173 E CB -0.139 29.644 29.700 0.139 0.000 0.762 173 E HN 0.371 nan 8.360 nan 0.000 0.460 174 L N 0.234 121.511 121.223 0.091 0.000 2.201 174 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 174 L C 2.140 179.031 176.870 0.036 0.000 1.105 174 L CA 1.691 56.562 54.840 0.052 0.000 0.775 174 L CB -0.419 41.665 42.059 0.042 0.000 0.913 174 L HN 0.292 nan 8.230 nan 0.000 0.440 175 T N -3.864 110.731 114.554 0.068 0.000 3.060 175 T HA -0.002 4.347 4.350 -0.000 0.000 0.249 175 T C 1.064 175.648 174.700 -0.194 0.000 1.079 175 T CA -0.441 61.669 62.100 0.018 0.000 1.013 175 T CB -0.112 68.832 68.868 0.127 0.000 0.975 175 T HN 0.098 nan 8.240 nan 0.000 0.518 176 R N 1.477 121.841 120.500 -0.226 0.000 2.486 176 R HA 0.266 4.605 4.340 -0.000 0.000 0.303 176 R C 1.403 177.523 176.300 -0.300 0.000 0.958 176 R CA 1.261 57.076 56.100 -0.475 0.000 1.077 176 R CB -0.661 29.575 30.300 -0.108 0.000 0.921 176 R HN 0.561 nan 8.270 nan 0.000 0.406 177 G N 3.549 112.144 108.800 -0.342 0.000 2.155 177 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 177 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 177 G C 0.428 175.262 174.900 -0.110 0.000 0.983 177 G CA 0.899 45.904 45.100 -0.159 0.000 0.676 177 G HN 0.716 nan 8.290 nan 0.000 0.528 178 K N -1.090 119.230 120.400 -0.134 0.000 2.556 178 K HA 0.635 4.955 4.320 -0.000 0.000 0.201 178 K C 0.703 177.269 176.600 -0.057 0.000 1.423 178 K CA 0.698 56.944 56.287 -0.067 0.000 1.010 178 K CB 1.103 33.574 32.500 -0.048 0.000 1.409 178 K HN 0.951 nan 8.250 nan 0.000 0.538 179 A N 0.976 123.749 122.820 -0.079 0.000 2.606 179 A HA 0.552 4.872 4.320 -0.000 0.000 0.293 179 A C -1.549 176.002 177.584 -0.055 0.000 1.082 179 A CA -0.763 51.231 52.037 -0.070 0.000 0.685 179 A CB 1.088 20.065 19.000 -0.038 0.000 1.284 179 A HN -0.001 nan 8.150 nan 0.000 0.408 180 I N 1.469 121.930 120.570 -0.182 0.000 2.395 180 I HA 0.331 4.501 4.170 -0.000 0.000 0.289 180 I C -0.098 175.911 176.117 -0.179 0.000 1.023 180 I CA -0.336 60.829 61.300 -0.225 0.000 1.350 180 I CB 0.949 38.626 38.000 -0.538 0.000 1.409 180 I HN 0.277 nan 8.210 nan 0.000 0.507 181 V N 7.432 127.265 119.914 -0.136 0.000 2.370 181 V HA 0.322 4.442 4.120 -0.000 0.000 0.279 181 V C 0.105 176.077 176.094 -0.204 0.000 1.029 181 V CA -0.626 61.588 62.300 -0.144 0.000 0.870 181 V CB 1.955 33.726 31.823 -0.088 0.000 0.984 181 V HN 0.431 nan 8.190 nan 0.000 0.451 182 V N 4.749 124.512 119.914 -0.252 0.000 2.334 182 V HA 0.630 4.750 4.120 -0.000 0.000 0.281 182 V C 0.464 176.505 176.094 -0.088 0.000 1.016 182 V CA -0.641 61.520 62.300 -0.233 0.000 0.832 182 V CB 1.488 33.055 31.823 -0.427 0.000 0.999 182 V HN 0.929 nan 8.190 nan 0.000 0.439 183 A N 3.334 126.109 122.820 -0.075 0.000 2.269 183 A HA 0.467 4.787 4.320 -0.000 0.000 0.302 183 A C -0.038 177.575 177.584 0.047 0.000 1.266 183 A CA -0.325 51.707 52.037 -0.008 0.000 0.894 183 A CB 0.239 19.074 19.000 -0.274 0.000 1.147 183 A HN 0.769 nan 8.150 nan 0.000 0.537 184 D N 2.733 123.226 120.400 0.154 0.000 2.365 184 D HA 0.139 4.779 4.640 -0.000 0.000 0.237 184 D C 0.015 176.417 176.300 0.170 0.000 1.190 184 D CA 0.178 54.296 54.000 0.198 0.000 0.867 184 D CB 0.568 41.576 40.800 0.347 0.000 1.050 184 D HN 0.600 nan 8.370 nan 0.000 0.491 185 E N 2.653 122.920 120.200 0.112 0.000 2.723 185 E HA 0.205 4.555 4.350 -0.000 0.000 0.219 185 E C 0.937 177.594 176.600 0.095 0.000 1.060 185 E CA -0.405 56.062 56.400 0.112 0.000 1.291 185 E CB 0.788 30.521 29.700 0.055 0.000 1.265 185 E HN 0.490 nan 8.360 nan 0.000 0.438 186 A N 0.087 122.925 122.820 0.031 0.000 2.125 186 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 186 A C 0.935 178.290 177.584 -0.381 0.000 1.156 186 A CA 1.141 53.042 52.037 -0.226 0.000 0.671 186 A CB -0.308 18.419 19.000 -0.457 0.000 0.794 186 A HN 0.375 nan 8.150 nan 0.000 0.459 187 Y N -2.521 117.914 120.300 0.225 0.000 2.682 187 Y HA 0.313 4.863 4.550 -0.000 0.000 0.251 187 Y C 1.282 177.366 175.900 0.306 0.000 1.172 187 Y CA -0.796 57.512 58.100 0.348 0.000 1.186 187 Y CB 0.097 38.752 38.460 0.324 0.000 1.216 187 Y HN 0.221 nan 8.280 nan 0.000 0.540 188 I N 0.831 121.559 120.570 0.264 0.000 2.614 188 I HA -0.171 3.999 4.170 -0.000 0.000 0.258 188 I C 1.755 177.935 176.117 0.106 0.000 1.189 188 I CA 1.436 62.838 61.300 0.170 0.000 1.462 188 I CB 0.038 38.092 38.000 0.090 0.000 1.092 188 I HN 0.104 nan 8.210 nan 0.000 0.442 189 E N -0.143 120.076 120.200 0.033 0.000 2.160 189 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 189 E C 1.812 178.267 176.600 -0.242 0.000 0.991 189 E CA 1.481 57.792 56.400 -0.149 0.000 0.810 189 E CB -0.369 29.121 29.700 -0.349 0.000 0.742 189 E HN 0.568 nan 8.360 nan 0.000 0.466 190 F N -1.044 118.955 119.950 0.081 0.000 2.748 190 F HA 0.049 4.576 4.527 -0.000 0.000 0.299 190 F C 0.903 176.728 175.800 0.041 0.000 1.154 190 F CA 0.092 58.125 58.000 0.056 0.000 1.446 190 F CB 0.176 39.211 39.000 0.058 0.000 1.112 190 F HN 0.052 nan 8.300 nan 0.000 0.584 191 C N -2.752 116.649 119.300 0.168 0.000 3.104 191 C HA 0.287 4.747 4.460 -0.000 0.000 0.206 191 C C -1.259 173.769 174.990 0.063 0.000 1.429 191 C CA -1.817 57.267 59.018 0.111 0.000 1.105 191 C CB -0.588 27.224 27.740 0.120 0.000 1.904 191 C HN 0.009 nan 8.230 nan 0.000 0.626 192 P HA -0.276 nan 4.420 nan 0.000 0.217 192 P C 1.779 179.072 177.300 -0.013 0.000 1.151 192 P CA 2.186 65.283 63.100 -0.004 0.000 0.849 192 P CB 0.171 31.860 31.700 -0.019 0.000 0.787 193 Q N 0.415 120.220 119.800 0.008 0.000 2.437 193 Q HA -0.038 4.302 4.340 -0.000 0.000 0.210 193 Q C 1.606 177.617 176.000 0.019 0.000 0.972 193 Q CA 1.807 57.619 55.803 0.015 0.000 0.903 193 Q CB -1.249 27.507 28.738 0.030 0.000 0.967 193 Q HN 0.244 nan 8.270 nan 0.000 0.486 194 A N 0.732 123.560 122.820 0.013 0.000 2.345 194 A HA 0.206 4.526 4.320 -0.000 0.000 0.225 194 A C 0.903 178.436 177.584 -0.085 0.000 1.243 194 A CA 0.174 52.212 52.037 0.001 0.000 0.875 194 A CB 0.008 19.031 19.000 0.039 0.000 0.929 194 A HN 0.320 nan 8.150 nan 0.000 0.502 195 S N -0.454 115.183 115.700 -0.105 0.000 2.585 195 S HA 0.374 4.844 4.470 -0.000 0.000 0.273 195 S C 0.742 175.120 174.600 -0.369 0.000 1.339 195 S CA -0.369 57.716 58.200 -0.193 0.000 1.028 195 S CB 0.294 63.411 63.200 -0.138 0.000 0.906 195 S HN 0.385 nan 8.310 nan 0.000 0.528 196 L N 3.603 124.493 121.223 -0.556 0.000 2.667 196 L HA 0.252 4.592 4.340 -0.000 0.000 0.232 196 L C 2.324 178.921 176.870 -0.454 0.000 1.138 196 L CA 0.223 54.485 54.840 -0.964 0.000 0.921 196 L CB -0.752 40.562 42.059 -1.242 0.000 1.180 196 L HN 0.836 nan 8.230 nan 0.000 0.487 197 A N 0.989 123.666 122.820 -0.238 0.000 1.986 197 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 197 A C 2.228 179.817 177.584 0.008 0.000 1.171 197 A CA 1.930 53.906 52.037 -0.101 0.000 0.640 197 A CB -0.814 18.123 19.000 -0.106 0.000 0.811 197 A HN 0.453 nan 8.150 nan 0.000 0.451 198 G N -2.928 105.922 108.800 0.083 0.000 2.848 198 G HA2 0.001 3.961 3.960 -0.000 0.000 0.208 198 G HA3 0.001 3.961 3.960 -0.000 0.000 0.208 198 G C 0.852 175.965 174.900 0.355 0.000 1.152 198 G CA 0.409 45.624 45.100 0.191 0.000 0.789 198 G HN 0.604 nan 8.290 nan 0.000 0.531 199 W N 0.516 121.816 121.300 0.000 0.000 3.139 199 W HA 0.348 5.008 4.660 -0.000 0.000 0.260 199 W C 2.032 178.601 176.519 0.084 0.000 1.312 199 W CA -0.799 56.592 57.345 0.076 0.000 1.606 199 W CB -0.543 28.995 29.460 0.130 0.000 1.118 199 W HN 0.119 nan 8.180 nan 0.000 0.675 200 L N 0.608 121.969 121.223 0.230 0.000 2.021 200 L HA -0.306 4.034 4.340 -0.000 0.000 0.215 200 L C 2.533 179.449 176.870 0.077 0.000 1.074 200 L CA 1.833 56.752 54.840 0.132 0.000 0.760 200 L CB -1.341 40.762 42.059 0.073 0.000 0.889 200 L HN -0.009 nan 8.230 nan 0.000 0.433 201 A N -0.393 122.449 122.820 0.037 0.000 2.019 201 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 201 A C 2.106 179.633 177.584 -0.096 0.000 1.164 201 A CA 1.699 53.724 52.037 -0.021 0.000 0.644 201 A CB -0.337 18.645 19.000 -0.029 0.000 0.805 201 A HN 0.550 nan 8.150 nan 0.000 0.449 202 E N -2.197 117.894 120.200 -0.181 0.000 2.276 202 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 202 E C -0.725 175.478 176.600 -0.662 0.000 0.983 202 E CA 0.301 56.402 56.400 -0.498 0.000 0.861 202 E CB 0.113 29.329 29.700 -0.806 0.000 0.817 202 E HN 0.755 nan 8.360 nan 0.000 0.485 203 Y N -0.194 120.121 120.300 0.026 0.000 2.376 203 Y HA 0.248 4.797 4.550 -0.000 0.000 0.326 203 Y C -2.067 173.845 175.900 0.019 0.000 0.970 203 Y CA -2.508 55.598 58.100 0.010 0.000 1.248 203 Y CB 1.600 39.987 38.460 -0.122 0.000 1.117 203 Y HN -0.050 nan 8.280 nan 0.000 0.476 204 P HA -0.142 nan 4.420 nan 0.000 0.226 204 P C 0.690 178.108 177.300 0.197 0.000 1.153 204 P CA 1.444 64.653 63.100 0.183 0.000 0.777 204 P CB 0.187 31.983 31.700 0.159 0.000 0.794 205 H N -2.030 117.076 119.070 0.061 0.000 2.507 205 H HA 0.300 4.856 4.556 -0.000 0.000 0.294 205 H C -0.055 175.246 175.328 -0.046 0.000 1.064 205 H CA -0.720 55.312 56.048 -0.027 0.000 1.138 205 H CB -0.621 29.113 29.762 -0.047 0.000 1.515 205 H HN 0.071 nan 8.280 nan 0.000 0.547 206 L N 1.899 123.012 121.223 -0.183 0.000 2.282 206 L HA 0.688 5.028 4.340 -0.000 0.000 0.288 206 L C -0.636 176.169 176.870 -0.108 0.000 1.033 206 L CA -0.610 54.113 54.840 -0.194 0.000 0.807 206 L CB 1.150 43.123 42.059 -0.143 0.000 1.209 206 L HN 0.311 nan 8.230 nan 0.000 0.423 207 A N 6.120 128.862 122.820 -0.131 0.000 2.374 207 A HA 0.865 5.185 4.320 -0.000 0.000 0.317 207 A C -1.020 176.511 177.584 -0.089 0.000 1.094 207 A CA -0.552 51.436 52.037 -0.082 0.000 0.765 207 A CB 1.056 20.010 19.000 -0.076 0.000 1.268 207 A HN 0.672 nan 8.150 nan 0.000 0.438 208 I N 1.966 122.509 120.570 -0.044 0.000 2.499 208 I HA 0.293 4.463 4.170 -0.000 0.000 0.288 208 I C -0.929 175.204 176.117 0.026 0.000 1.048 208 I CA -0.326 60.953 61.300 -0.036 0.000 1.062 208 I CB 1.852 39.816 38.000 -0.061 0.000 1.238 208 I HN 0.491 nan 8.210 nan 0.000 0.426 209 L N 6.344 127.598 121.223 0.052 0.000 2.292 209 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 209 L C -0.006 176.916 176.870 0.085 0.000 1.065 209 L CA -0.631 54.260 54.840 0.084 0.000 0.806 209 L CB 0.683 42.818 42.059 0.128 0.000 1.175 209 L HN 0.503 nan 8.230 nan 0.000 0.431 210 R N 1.154 121.712 120.500 0.097 0.000 2.867 210 R HA 0.731 5.071 4.340 -0.000 0.000 0.268 210 R C -0.781 175.586 176.300 0.111 0.000 1.014 210 R CA -0.718 55.463 56.100 0.135 0.000 0.946 210 R CB 2.257 32.682 30.300 0.210 0.000 1.208 210 R HN 0.589 nan 8.270 nan 0.000 0.477 211 T N -0.306 114.324 114.554 0.127 0.000 2.853 211 T HA 0.427 4.777 4.350 -0.000 0.000 0.311 211 T C -0.184 174.580 174.700 0.107 0.000 1.307 211 T CA -0.552 61.586 62.100 0.064 0.000 1.019 211 T CB 1.092 69.942 68.868 -0.030 0.000 1.264 211 T HN 0.408 nan 8.240 nan 0.000 0.497 212 L N 2.104 123.346 121.223 0.032 0.000 2.693 212 L HA 0.229 4.569 4.340 -0.000 0.000 0.235 212 L C 2.268 179.195 176.870 0.094 0.000 1.127 212 L CA -0.066 54.786 54.840 0.019 0.000 0.914 212 L CB 0.094 42.072 42.059 -0.136 0.000 1.193 212 L HN 0.536 nan 8.230 nan 0.000 0.502 213 S N 0.080 115.811 115.700 0.052 0.000 2.355 213 S HA -0.078 4.392 4.470 -0.000 0.000 0.222 213 S C 1.699 176.372 174.600 0.122 0.000 1.031 213 S CA 0.967 59.201 58.200 0.057 0.000 0.993 213 S CB 0.090 63.296 63.200 0.010 0.000 0.859 213 S HN 0.332 nan 8.310 nan 0.000 0.453 214 K N 2.221 122.697 120.400 0.127 0.000 2.005 214 K HA 0.172 4.492 4.320 -0.000 0.000 0.209 214 K C 2.345 179.110 176.600 0.276 0.000 1.033 214 K CA 0.969 57.398 56.287 0.235 0.000 1.012 214 K CB -1.288 31.306 32.500 0.158 0.000 1.106 214 K HN 0.274 nan 8.250 nan 0.000 0.452 215 A N 1.042 123.967 122.820 0.174 0.000 1.917 215 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 215 A C 2.217 179.665 177.584 -0.225 0.000 1.182 215 A CA 1.819 53.765 52.037 -0.153 0.000 0.633 215 A CB -1.031 17.590 19.000 -0.631 0.000 0.819 215 A HN 0.384 nan 8.150 nan 0.000 0.448 216 F N -0.831 119.048 119.950 -0.119 0.000 2.641 216 F HA 0.232 4.758 4.527 -0.000 0.000 0.298 216 F C 1.689 177.417 175.800 -0.120 0.000 1.146 216 F CA 0.764 58.681 58.000 -0.139 0.000 1.464 216 F CB -0.167 38.769 39.000 -0.106 0.000 1.101 216 F HN 0.409 nan 8.300 nan 0.000 0.585 217 A N 0.384 123.255 122.820 0.085 0.000 2.791 217 A HA -0.233 4.087 4.320 -0.000 0.000 0.292 217 A C 0.390 178.049 177.584 0.126 0.000 1.487 217 A CA 0.882 52.990 52.037 0.119 0.000 0.760 217 A CB -2.183 16.788 19.000 -0.049 0.000 1.031 217 A HN 0.456 nan 8.150 nan 0.000 0.503 218 L N -2.065 119.217 121.223 0.100 0.000 3.313 218 L HA 0.390 4.730 4.340 -0.000 0.000 0.320 218 L C 1.792 178.668 176.870 0.010 0.000 1.304 218 L CA 0.225 55.081 54.840 0.027 0.000 0.920 218 L CB 0.184 42.208 42.059 -0.058 0.000 1.357 218 L HN 0.582 nan 8.230 nan 0.000 0.602 219 A N 0.338 123.184 122.820 0.044 0.000 1.986 219 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 219 A C 2.217 179.798 177.584 -0.004 0.000 1.171 219 A CA 1.971 54.022 52.037 0.023 0.000 0.640 219 A CB -0.555 18.474 19.000 0.049 0.000 0.811 219 A HN 0.532 nan 8.150 nan 0.000 0.451 220 G N -0.526 108.274 108.800 -0.001 0.000 2.498 220 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.219 220 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.219 220 G C 1.345 176.223 174.900 -0.036 0.000 1.119 220 G CA 0.890 45.981 45.100 -0.015 0.000 0.766 220 G HN 0.484 nan 8.290 nan 0.000 0.552 221 L N -0.933 120.256 121.223 -0.056 0.000 2.418 221 L HA 0.159 4.499 4.340 -0.000 0.000 0.218 221 L C 0.858 177.674 176.870 -0.090 0.000 1.125 221 L CA -0.222 54.568 54.840 -0.083 0.000 0.835 221 L CB -0.078 41.907 42.059 -0.122 0.000 0.953 221 L HN 0.065 nan 8.230 nan 0.000 0.454 222 R N -0.161 120.291 120.500 -0.081 0.000 3.267 222 R HA -0.195 4.145 4.340 -0.000 0.000 0.254 222 R C -0.642 175.573 176.300 -0.141 0.000 0.993 222 R CA 0.357 56.403 56.100 -0.090 0.000 0.670 222 R CB -2.964 27.293 30.300 -0.072 0.000 1.125 222 R HN 0.356 nan 8.270 nan 0.000 0.434 223 C N -0.046 119.148 119.300 -0.177 0.000 2.340 223 C HA 0.844 5.304 4.460 -0.000 0.000 0.323 223 C C 0.858 175.622 174.990 -0.376 0.000 1.260 223 C CA 0.437 59.276 59.018 -0.298 0.000 1.464 223 C CB 1.006 28.576 27.740 -0.283 0.000 2.156 223 C HN 0.730 nan 8.230 nan 0.000 0.476 224 G N 3.598 112.072 108.800 -0.545 0.000 2.798 224 G HA2 0.892 4.851 3.960 -0.000 0.000 0.286 224 G HA3 0.892 4.851 3.960 -0.000 0.000 0.286 224 G C -1.673 172.685 174.900 -0.903 0.000 1.389 224 G CA -0.454 44.352 45.100 -0.491 0.000 0.894 224 G HN 0.577 nan 8.290 nan 0.000 0.488 225 F N -1.408 118.375 119.950 -0.280 0.000 2.643 225 F HA 0.682 5.209 4.527 -0.000 0.000 0.314 225 F C 0.078 175.786 175.800 -0.152 0.000 1.096 225 F CA -0.807 57.017 58.000 -0.294 0.000 0.953 225 F CB 2.552 41.184 39.000 -0.612 0.000 1.345 225 F HN 0.339 nan 8.300 nan 0.000 0.468 226 T N 2.929 117.543 114.554 0.101 0.000 2.848 226 T HA 0.672 5.022 4.350 -0.000 0.000 0.285 226 T C -0.919 173.832 174.700 0.086 0.000 0.995 226 T CA -0.558 61.587 62.100 0.077 0.000 0.970 226 T CB 0.970 69.873 68.868 0.059 0.000 0.976 226 T HN 0.335 nan 8.240 nan 0.000 0.441 227 L N 2.873 124.138 121.223 0.069 0.000 2.313 227 L HA 0.919 5.258 4.340 -0.000 0.000 0.283 227 L C 0.070 176.961 176.870 0.035 0.000 1.013 227 L CA -0.740 54.137 54.840 0.061 0.000 0.816 227 L CB 1.371 43.464 42.059 0.057 0.000 1.236 227 L HN 0.809 nan 8.230 nan 0.000 0.419 228 A N 2.829 125.674 122.820 0.042 0.000 2.540 228 A HA 0.482 4.801 4.320 -0.000 0.000 0.291 228 A C -1.327 176.285 177.584 0.046 0.000 1.083 228 A CA -0.842 51.217 52.037 0.036 0.000 0.650 228 A CB 1.202 20.228 19.000 0.043 0.000 1.292 228 A HN 0.609 nan 8.150 nan 0.000 0.435 229 N N 0.486 119.215 118.700 0.049 0.000 2.415 229 N HA 0.076 4.816 4.740 -0.000 0.000 0.248 229 N C 0.949 176.492 175.510 0.055 0.000 1.271 229 N CA 0.209 53.289 53.050 0.051 0.000 0.913 229 N CB 0.743 39.263 38.487 0.055 0.000 1.129 229 N HN 0.746 nan 8.380 nan 0.000 0.444 230 E N 1.306 121.534 120.200 0.047 0.000 2.086 230 E HA -0.278 4.072 4.350 -0.000 0.000 0.205 230 E C 1.243 177.876 176.600 0.054 0.000 1.027 230 E CA 1.484 57.911 56.400 0.045 0.000 0.830 230 E CB 0.051 29.771 29.700 0.034 0.000 0.751 230 E HN 0.585 nan 8.360 nan 0.000 0.456 231 E N 0.095 120.332 120.200 0.061 0.000 2.048 231 E HA -0.238 4.112 4.350 -0.000 0.000 0.202 231 E C 2.240 178.903 176.600 0.106 0.000 1.021 231 E CA 1.774 58.219 56.400 0.075 0.000 0.825 231 E CB -0.052 29.699 29.700 0.084 0.000 0.756 231 E HN 0.096 nan 8.360 nan 0.000 0.454 232 V N 1.666 121.659 119.914 0.132 0.000 2.261 232 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 232 V C 2.393 178.575 176.094 0.147 0.000 1.047 232 V CA 1.380 63.798 62.300 0.196 0.000 1.015 232 V CB -0.433 31.483 31.823 0.155 0.000 0.642 232 V HN 0.304 nan 8.190 nan 0.000 0.446 233 I N 0.882 121.509 120.570 0.096 0.000 2.163 233 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 233 I C 2.332 178.476 176.117 0.046 0.000 1.085 233 I CA 1.716 63.057 61.300 0.068 0.000 1.347 233 I CB -1.575 36.459 38.000 0.056 0.000 1.044 233 I HN 0.407 nan 8.210 nan 0.000 0.408 234 N N 0.965 119.689 118.700 0.040 0.000 2.166 234 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 234 N C 2.030 177.539 175.510 -0.002 0.000 1.019 234 N CA 1.010 54.070 53.050 0.016 0.000 0.856 234 N CB -0.400 38.098 38.487 0.017 0.000 0.993 234 N HN 0.362 nan 8.380 nan 0.000 0.426 235 L N 0.484 121.711 121.223 0.007 0.000 2.056 235 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 235 L C 1.119 177.942 176.870 -0.079 0.000 1.078 235 L CA 0.445 55.251 54.840 -0.057 0.000 0.749 235 L CB -0.263 41.745 42.059 -0.086 0.000 0.901 235 L HN 0.073 nan 8.230 nan 0.000 0.433 239 V N -1.096 118.777 119.914 -0.068 0.000 3.528 239 V HA 0.422 4.542 4.120 -0.000 0.000 0.294 239 V C 0.646 176.711 176.094 -0.048 0.000 1.404 239 V CA -0.361 61.903 62.300 -0.060 0.000 1.065 239 V CB 0.156 31.939 31.823 -0.065 0.000 0.904 239 V HN 0.184 nan 8.190 nan 0.000 0.435 240 I N 2.246 122.784 120.570 -0.052 0.000 2.662 240 I HA 0.667 4.837 4.170 -0.000 0.000 0.291 240 I C 1.079 177.157 176.117 -0.065 0.000 1.046 240 I CA -0.160 61.109 61.300 -0.052 0.000 1.361 240 I CB 1.332 39.299 38.000 -0.055 0.000 1.429 240 I HN 0.329 nan 8.210 nan 0.000 0.558 241 A N 8.745 131.533 122.820 -0.053 0.000 2.498 241 A HA 0.240 4.560 4.320 -0.000 0.000 0.239 241 A C -1.413 176.108 177.584 -0.106 0.000 1.068 241 A CA -0.879 51.127 52.037 -0.051 0.000 0.766 241 A CB -0.410 18.583 19.000 -0.013 0.000 1.003 241 A HN 0.714 nan 8.150 nan 0.000 0.497 242 P HA -0.169 nan 4.420 nan 0.000 0.217 242 P C -0.257 176.643 177.300 -0.667 0.000 1.151 242 P CA 1.788 64.633 63.100 -0.425 0.000 0.849 242 P CB -0.081 31.370 31.700 -0.416 0.000 0.787 243 Y N -0.456 119.848 120.300 0.006 0.000 2.662 243 Y HA 0.281 4.831 4.550 -0.000 0.000 0.358 243 Y C -1.299 174.610 175.900 0.015 0.000 1.041 243 Y CA -1.746 56.373 58.100 0.033 0.000 1.184 243 Y CB 0.756 39.284 38.460 0.114 0.000 1.114 243 Y HN 0.002 nan 8.280 nan 0.000 0.650 244 P HA -0.050 nan 4.420 nan 0.000 0.225 244 P C -0.087 177.212 177.300 -0.001 0.000 1.156 244 P CA 0.784 63.891 63.100 0.012 0.000 0.787 244 P CB 1.130 32.807 31.700 -0.038 0.000 0.802 245 L N 0.757 121.990 121.223 0.017 0.000 2.356 245 L HA 0.319 4.659 4.340 -0.000 0.000 0.277 245 L C 0.288 177.167 176.870 0.016 0.000 0.996 245 L CA -0.755 54.076 54.840 -0.016 0.000 0.822 245 L CB 1.776 43.803 42.059 -0.053 0.000 1.256 245 L HN -0.104 nan 8.230 nan 0.000 0.413 246 S N 1.612 117.305 115.700 -0.011 0.000 2.593 246 S HA 0.200 4.670 4.470 -0.000 0.000 0.269 246 S C 1.058 175.647 174.600 -0.018 0.000 1.334 246 S CA 0.007 58.198 58.200 -0.015 0.000 1.015 246 S CB 0.855 64.036 63.200 -0.033 0.000 0.912 246 S HN 0.698 nan 8.310 nan 0.000 0.541 247 T N 3.022 117.562 114.554 -0.023 0.000 2.708 247 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 247 T C -0.737 173.951 174.700 -0.020 0.000 1.037 247 T CA 1.554 63.643 62.100 -0.017 0.000 1.146 247 T CB -1.365 67.488 68.868 -0.025 0.000 0.865 247 T HN 0.692 nan 8.240 nan 0.000 0.435 248 P HA -0.027 nan 4.420 nan 0.000 0.216 248 P C 1.585 178.865 177.300 -0.033 0.000 1.150 248 P CA 0.889 63.975 63.100 -0.022 0.000 0.837 248 P CB -0.208 31.478 31.700 -0.023 0.000 0.786 249 V N 0.690 120.577 119.914 -0.046 0.000 2.379 249 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 249 V C 2.871 178.922 176.094 -0.071 0.000 1.044 249 V CA 2.048 64.305 62.300 -0.071 0.000 1.036 249 V CB -1.606 30.169 31.823 -0.080 0.000 0.664 249 V HN 0.096 nan 8.190 nan 0.000 0.453 250 A N -0.116 122.676 122.820 -0.046 0.000 1.933 250 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 250 A C 2.097 179.671 177.584 -0.017 0.000 1.175 250 A CA 1.974 53.994 52.037 -0.028 0.000 0.628 250 A CB -0.628 18.369 19.000 -0.006 0.000 0.814 250 A HN 0.571 nan 8.150 nan 0.000 0.444 251 D N 0.850 121.242 120.400 -0.012 0.000 2.088 251 D HA -0.189 4.450 4.640 -0.000 0.000 0.191 251 D C 1.945 178.246 176.300 0.002 0.000 0.992 251 D CA 2.087 56.090 54.000 0.005 0.000 0.831 251 D CB -0.368 40.438 40.800 0.010 0.000 0.973 251 D HN 0.563 nan 8.370 nan 0.000 0.447 252 I N -1.496 119.056 120.570 -0.030 0.000 2.493 252 I HA -0.025 4.145 4.170 -0.000 0.000 0.254 252 I C 2.284 178.262 176.117 -0.233 0.000 1.160 252 I CA 1.176 62.421 61.300 -0.092 0.000 1.445 252 I CB -0.695 37.217 38.000 -0.148 0.000 1.086 252 I HN -0.044 nan 8.210 nan 0.000 0.433 253 A N 1.819 124.538 122.820 -0.169 0.000 1.930 253 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 253 A C 2.590 180.129 177.584 -0.075 0.000 1.175 253 A CA 1.740 53.683 52.037 -0.157 0.000 0.627 253 A CB -0.808 18.137 19.000 -0.092 0.000 0.815 253 A HN 0.562 nan 8.150 nan 0.000 0.443 254 A N -0.706 122.103 122.820 -0.018 0.000 1.930 254 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 254 A C 2.107 179.715 177.584 0.039 0.000 1.175 254 A CA 1.587 53.638 52.037 0.023 0.000 0.627 254 A CB -0.480 18.541 19.000 0.036 0.000 0.815 254 A HN 0.655 nan 8.150 nan 0.000 0.443 255 Q N -0.689 119.148 119.800 0.061 0.000 2.079 255 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 255 Q C 2.359 178.482 176.000 0.205 0.000 0.974 255 Q CA 1.267 57.165 55.803 0.160 0.000 0.840 255 Q CB -0.365 28.548 28.738 0.292 0.000 0.898 255 Q HN 0.664 nan 8.270 nan 0.000 0.430 256 A N 0.520 123.397 122.820 0.095 0.000 2.070 256 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 256 A C 1.733 179.375 177.584 0.097 0.000 1.159 256 A CA 0.986 53.083 52.037 0.100 0.000 0.656 256 A CB -0.279 18.600 19.000 -0.202 0.000 0.800 256 A HN 0.290 nan 8.150 nan 0.000 0.453 257 L N 0.525 121.757 121.223 0.016 0.000 2.628 257 L HA 0.085 4.425 4.340 -0.000 0.000 0.229 257 L C 1.215 178.093 176.870 0.014 0.000 1.137 257 L CA 0.057 54.884 54.840 -0.023 0.000 0.909 257 L CB -0.057 41.964 42.059 -0.065 0.000 1.137 257 L HN 0.445 nan 8.230 nan 0.000 0.470 258 S N -0.750 114.980 115.700 0.049 0.000 2.596 258 S HA 0.158 4.628 4.470 -0.000 0.000 0.260 258 S C -1.637 172.983 174.600 0.033 0.000 1.336 258 S CA -0.944 57.282 58.200 0.043 0.000 0.993 258 S CB 0.399 63.633 63.200 0.057 0.000 0.923 258 S HN -0.122 nan 8.310 nan 0.000 0.567 259 P HA -0.052 nan 4.420 nan 0.000 0.215 259 P C 2.165 179.472 177.300 0.011 0.000 1.153 259 P CA 2.395 65.505 63.100 0.017 0.000 0.853 259 P CB -0.389 31.320 31.700 0.014 0.000 0.788 260 Q N -0.361 119.448 119.800 0.015 0.000 2.167 260 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 260 Q C 2.383 178.390 176.000 0.012 0.000 0.970 260 Q CA 1.857 57.664 55.803 0.007 0.000 0.855 260 Q CB -2.156 26.585 28.738 0.006 0.000 0.911 260 Q HN 0.359 nan 8.270 nan 0.000 0.438 261 G N 0.469 109.295 108.800 0.044 0.000 2.402 261 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 261 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 261 G C 1.524 176.434 174.900 0.016 0.000 1.162 261 G CA 0.973 46.123 45.100 0.082 0.000 0.777 261 G HN 0.493 nan 8.290 nan 0.000 0.539 262 I N 1.116 121.677 120.570 -0.015 0.000 2.315 262 I HA -0.082 4.087 4.170 -0.000 0.000 0.248 262 I C 2.919 178.965 176.117 -0.118 0.000 1.117 262 I CA 0.544 61.783 61.300 -0.101 0.000 1.404 262 I CB -1.105 36.865 38.000 -0.049 0.000 1.071 262 I HN 0.028 nan 8.210 nan 0.000 0.419 263 V N 1.302 121.178 119.914 -0.064 0.000 2.343 263 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 263 V C 1.800 177.843 176.094 -0.087 0.000 1.051 263 V CA 1.161 63.425 62.300 -0.061 0.000 1.036 263 V CB -1.072 30.731 31.823 -0.033 0.000 0.654 263 V HN 0.416 nan 8.190 nan 0.000 0.451 267 E N 1.289 121.428 120.200 -0.102 0.000 2.152 267 E HA -0.017 4.333 4.350 -0.000 0.000 0.192 267 E C 1.595 178.186 176.600 -0.016 0.000 0.983 267 E CA 0.668 57.042 56.400 -0.044 0.000 0.818 267 E CB 0.139 29.819 29.700 -0.033 0.000 0.758 267 E HN 0.188 nan 8.360 nan 0.000 0.467 268 R N 0.565 121.017 120.500 -0.080 0.000 2.092 268 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 268 R C 2.417 178.775 176.300 0.098 0.000 1.119 268 R CA 0.875 56.964 56.100 -0.020 0.000 0.970 268 R CB -0.258 29.817 30.300 -0.375 0.000 0.864 268 R HN 0.049 nan 8.270 nan 0.000 0.440 269 V N 1.171 121.067 119.914 -0.031 0.000 2.295 269 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 269 V C 2.513 178.695 176.094 0.147 0.000 1.049 269 V CA 2.004 64.326 62.300 0.036 0.000 1.024 269 V CB -0.760 30.960 31.823 -0.171 0.000 0.648 269 V HN 0.381 nan 8.190 nan 0.000 0.447 270 A N -0.710 122.153 122.820 0.071 0.000 1.908 270 A HA -0.339 3.980 4.320 -0.000 0.000 0.218 270 A C 2.270 179.917 177.584 0.105 0.000 1.181 270 A CA 2.336 54.419 52.037 0.078 0.000 0.627 270 A CB -0.630 18.395 19.000 0.041 0.000 0.818 270 A HN 0.629 nan 8.150 nan 0.000 0.445 271 Q N -0.543 119.328 119.800 0.119 0.000 2.030 271 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 271 Q C 1.971 178.062 176.000 0.152 0.000 0.986 271 Q CA 1.946 57.828 55.803 0.131 0.000 0.843 271 Q CB -0.232 28.610 28.738 0.173 0.000 0.904 271 Q HN 0.555 nan 8.270 nan 0.000 0.420 272 I N 0.993 121.699 120.570 0.227 0.000 2.226 272 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 272 I C 2.433 178.635 176.117 0.142 0.000 1.100 272 I CA 1.188 62.617 61.300 0.215 0.000 1.374 272 I CB -1.051 37.175 38.000 0.376 0.000 1.057 272 I HN 0.352 nan 8.210 nan 0.000 0.413 273 I N 0.889 121.561 120.570 0.170 0.000 2.179 273 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 273 I C 2.750 178.919 176.117 0.087 0.000 1.088 273 I CA 1.377 62.747 61.300 0.117 0.000 1.357 273 I CB -0.436 37.646 38.000 0.136 0.000 1.051 273 I HN 0.126 nan 8.210 nan 0.000 0.409 274 A N 0.364 123.239 122.820 0.090 0.000 1.902 274 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 274 A C 2.207 179.848 177.584 0.096 0.000 1.181 274 A CA 2.062 54.147 52.037 0.079 0.000 0.623 274 A CB -0.516 18.521 19.000 0.062 0.000 0.818 274 A HN 0.405 nan 8.150 nan 0.000 0.443 275 E N 0.050 120.308 120.200 0.095 0.000 2.106 275 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 275 E C 2.127 178.812 176.600 0.141 0.000 0.984 275 E CA 1.341 57.812 56.400 0.119 0.000 0.806 275 E CB -0.283 29.469 29.700 0.087 0.000 0.750 275 E HN 0.567 nan 8.360 nan 0.000 0.458 276 R N 0.270 120.819 120.500 0.082 0.000 2.073 276 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 276 R C 1.755 178.083 176.300 0.047 0.000 1.134 276 R CA 1.605 57.728 56.100 0.040 0.000 0.952 276 R CB -0.141 30.149 30.300 -0.018 0.000 0.850 276 R HN 0.102 nan 8.270 nan 0.000 0.433 277 E N -0.168 120.070 120.200 0.063 0.000 2.265 277 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 277 E C 1.535 178.181 176.600 0.077 0.000 0.996 277 E CA 0.938 57.371 56.400 0.056 0.000 0.832 277 E CB -0.341 29.397 29.700 0.063 0.000 0.756 277 E HN 0.477 nan 8.360 nan 0.000 0.491 278 Y N 0.998 121.302 120.300 0.007 0.000 2.130 278 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 278 Y C 2.207 178.111 175.900 0.006 0.000 1.124 278 Y CA 0.974 59.078 58.100 0.007 0.000 1.118 278 Y CB -0.550 37.916 38.460 0.010 0.000 0.994 278 Y HN 0.022 nan 8.280 nan 0.000 0.497 279 L N 0.737 121.884 121.223 -0.126 0.000 2.042 279 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 279 L C 2.271 179.038 176.870 -0.170 0.000 1.076 279 L CA 1.801 56.528 54.840 -0.188 0.000 0.749 279 L CB -1.002 41.055 42.059 -0.004 0.000 0.893 279 L HN 0.428 nan 8.230 nan 0.000 0.432 280 I N -0.819 119.693 120.570 -0.097 0.000 2.179 280 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 280 I C 2.558 178.606 176.117 -0.116 0.000 1.088 280 I CA 1.262 62.512 61.300 -0.082 0.000 1.357 280 I CB -0.644 37.329 38.000 -0.044 0.000 1.051 280 I HN 0.364 nan 8.210 nan 0.000 0.409 281 A N 0.732 123.474 122.820 -0.130 0.000 1.877 281 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 281 A C 2.534 180.016 177.584 -0.171 0.000 1.186 281 A CA 2.006 53.968 52.037 -0.126 0.000 0.620 281 A CB -0.877 18.068 19.000 -0.092 0.000 0.822 281 A HN 0.449 nan 8.150 nan 0.000 0.443 282 A N -0.356 122.290 122.820 -0.290 0.000 1.898 282 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 282 A C 2.166 179.649 177.584 -0.168 0.000 1.181 282 A CA 1.439 53.312 52.037 -0.274 0.000 0.620 282 A CB -0.630 18.090 19.000 -0.465 0.000 0.819 282 A HN 0.470 nan 8.150 nan 0.000 0.442 283 L N -0.560 120.570 121.223 -0.155 0.000 2.079 283 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 283 L C 2.440 179.232 176.870 -0.130 0.000 1.081 283 L CA 1.699 56.472 54.840 -0.112 0.000 0.752 283 L CB -0.435 41.566 42.059 -0.097 0.000 0.896 283 L HN 0.364 nan 8.230 nan 0.000 0.433 284 K N -0.417 119.904 120.400 -0.132 0.000 2.280 284 K HA -0.144 4.175 4.320 -0.000 0.000 0.202 284 K C 1.815 178.353 176.600 -0.104 0.000 1.047 284 K CA 0.781 56.990 56.287 -0.131 0.000 0.942 284 K CB 0.012 32.442 32.500 -0.117 0.000 0.739 284 K HN 0.293 nan 8.250 nan 0.000 0.457 285 E N 0.582 120.729 120.200 -0.089 0.000 2.318 285 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 285 E C 0.637 177.206 176.600 -0.052 0.000 0.998 285 E CA 0.236 56.597 56.400 -0.065 0.000 0.859 285 E CB 0.186 29.852 29.700 -0.056 0.000 0.812 285 E HN 0.305 nan 8.360 nan 0.000 0.492 286 I N 2.975 123.513 120.570 -0.055 0.000 2.598 286 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 286 I C -1.376 174.724 176.117 -0.028 0.000 1.140 286 I CA -1.252 60.032 61.300 -0.028 0.000 1.420 286 I CB 0.358 38.355 38.000 -0.005 0.000 1.387 286 I HN -0.184 nan 8.210 nan 0.000 0.553 287 P HA -0.211 nan 4.420 nan 0.000 0.216 287 P C 1.547 178.852 177.300 0.008 0.000 1.157 287 P CA 1.477 64.575 63.100 -0.003 0.000 0.880 287 P CB -0.002 31.703 31.700 0.009 0.000 0.791 288 C N -3.247 116.079 119.300 0.044 0.000 2.491 288 C HA 0.147 4.607 4.460 -0.000 0.000 0.277 288 C C 1.051 176.081 174.990 0.066 0.000 1.455 288 C CA -0.559 58.515 59.018 0.093 0.000 1.758 288 C CB -1.556 26.283 27.740 0.165 0.000 1.745 288 C HN -0.077 nan 8.230 nan 0.000 0.558 289 V N 2.372 122.249 119.914 -0.061 0.000 2.385 289 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 289 V C 0.999 176.955 176.094 -0.230 0.000 1.043 289 V CA 0.394 62.515 62.300 -0.297 0.000 0.906 289 V CB 0.832 32.462 31.823 -0.323 0.000 0.995 289 V HN 0.466 nan 8.190 nan 0.000 0.467 290 E N 2.979 123.035 120.200 -0.240 0.000 2.060 290 E HA 0.005 4.355 4.350 -0.000 0.000 0.189 290 E C 0.737 177.212 176.600 -0.208 0.000 0.974 290 E CA 0.526 56.832 56.400 -0.157 0.000 0.808 290 E CB 0.465 30.117 29.700 -0.080 0.000 0.768 290 E HN 0.740 nan 8.360 nan 0.000 0.453 291 Q N 0.103 119.721 119.800 -0.302 0.000 2.352 291 Q HA 0.326 4.665 4.340 -0.000 0.000 0.270 291 Q C -2.020 173.631 176.000 -0.581 0.000 1.006 291 Q CA -0.476 55.072 55.803 -0.425 0.000 0.880 291 Q CB 2.189 30.645 28.738 -0.470 0.000 1.392 291 Q HN -0.080 nan 8.270 nan 0.000 0.401 292 V N 4.145 123.741 119.914 -0.529 0.000 2.417 292 V HA 0.539 4.659 4.120 -0.000 0.000 0.291 292 V C -0.797 175.036 176.094 -0.434 0.000 1.024 292 V CA -0.482 61.585 62.300 -0.388 0.000 0.861 292 V CB 1.051 32.749 31.823 -0.208 0.000 0.985 292 V HN 0.632 nan 8.190 nan 0.000 0.436 293 F N 1.779 121.764 119.950 0.058 0.000 2.404 293 F HA 0.384 4.911 4.527 -0.000 0.000 0.339 293 F C 0.688 176.532 175.800 0.072 0.000 1.105 293 F CA -0.652 57.418 58.000 0.116 0.000 1.087 293 F CB 0.796 39.947 39.000 0.251 0.000 1.143 293 F HN 0.525 nan 8.300 nan 0.000 0.491 294 D N 1.362 121.905 120.400 0.238 0.000 2.506 294 D HA 0.147 4.787 4.640 -0.000 0.000 0.234 294 D C -0.497 175.868 176.300 0.109 0.000 1.143 294 D CA 0.696 54.776 54.000 0.132 0.000 0.871 294 D CB 0.716 41.588 40.800 0.119 0.000 1.190 294 D HN 0.456 nan 8.370 nan 0.000 0.459 295 S N 2.035 117.750 115.700 0.025 0.000 2.541 295 S HA 0.347 4.817 4.470 -0.000 0.000 0.280 295 S C -0.637 173.910 174.600 -0.088 0.000 1.112 295 S CA -0.715 57.446 58.200 -0.066 0.000 0.925 295 S CB 1.314 64.428 63.200 -0.144 0.000 1.067 295 S HN 0.440 nan 8.310 nan 0.000 0.479 296 E N 2.624 122.752 120.200 -0.120 0.000 2.736 296 E HA 0.215 4.564 4.350 -0.000 0.000 0.208 296 E C 0.343 176.868 176.600 -0.125 0.000 0.996 296 E CA 0.021 56.387 56.400 -0.056 0.000 1.104 296 E CB 0.916 30.630 29.700 0.023 0.000 1.111 296 E HN 0.824 nan 8.360 nan 0.000 0.455 297 T N -1.927 112.382 114.554 -0.408 0.000 2.550 297 T HA 0.219 4.569 4.350 -0.000 0.000 0.256 297 T C 0.496 174.561 174.700 -1.058 0.000 0.866 297 T CA -0.644 61.007 62.100 -0.748 0.000 1.163 297 T CB 0.569 68.699 68.868 -1.230 0.000 1.460 297 T HN -0.030 nan 8.240 nan 0.000 0.498 298 N N 0.235 118.230 118.700 -1.176 0.000 2.328 298 N HA 0.208 4.948 4.740 -0.000 0.000 0.247 298 N C -0.738 174.614 175.510 -0.262 0.000 1.165 298 N CA -0.606 52.005 53.050 -0.732 0.000 0.873 298 N CB -0.337 37.793 38.487 -0.594 0.000 1.125 298 N HN 0.863 nan 8.380 nan 0.000 0.513 299 Y N -2.034 118.118 120.300 -0.246 0.000 2.609 299 Y HA 0.714 5.264 4.550 -0.000 0.000 0.336 299 Y C -1.319 174.520 175.900 -0.102 0.000 1.129 299 Y CA -1.590 56.428 58.100 -0.137 0.000 1.040 299 Y CB 1.039 39.410 38.460 -0.147 0.000 1.310 299 Y HN -0.177 nan 8.280 nan 0.000 0.460 300 I N 2.956 123.625 120.570 0.165 0.000 2.498 300 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 300 I C -1.382 174.856 176.117 0.202 0.000 1.032 300 I CA -0.944 60.434 61.300 0.129 0.000 1.073 300 I CB 2.137 40.185 38.000 0.081 0.000 1.251 300 I HN 0.607 nan 8.210 nan 0.000 0.426 301 L N 6.261 127.616 121.223 0.221 0.000 2.307 301 L HA 0.889 5.229 4.340 -0.000 0.000 0.282 301 L C -0.386 176.721 176.870 0.394 0.000 1.051 301 L CA 0.132 55.124 54.840 0.254 0.000 0.804 301 L CB 1.341 43.469 42.059 0.115 0.000 1.197 301 L HN 0.765 nan 8.230 nan 0.000 0.431 302 A N 5.083 128.127 122.820 0.373 0.000 2.520 302 A HA 0.663 4.982 4.320 -0.000 0.000 0.298 302 A C -1.113 176.605 177.584 0.223 0.000 1.051 302 A CA -0.777 51.369 52.037 0.183 0.000 0.690 302 A CB 1.252 20.164 19.000 -0.145 0.000 1.281 302 A HN 0.698 nan 8.150 nan 0.000 0.402 303 R N 1.500 122.051 120.500 0.085 0.000 2.265 303 R HA 0.638 4.978 4.340 -0.000 0.000 0.319 303 R C -1.478 174.769 176.300 -0.088 0.000 1.006 303 R CA -0.168 56.038 56.100 0.176 0.000 0.880 303 R CB 0.400 30.843 30.300 0.237 0.000 1.077 303 R HN 0.566 nan 8.270 nan 0.000 0.454 304 F N 1.518 121.518 119.950 0.083 0.000 2.572 304 F HA 0.465 4.992 4.527 -0.000 0.000 0.342 304 F C 0.729 176.557 175.800 0.048 0.000 1.064 304 F CA -0.688 57.346 58.000 0.057 0.000 1.008 304 F CB 0.868 39.906 39.000 0.063 0.000 1.303 304 F HN 0.334 nan 8.300 nan 0.000 0.492 305 K N 0.320 120.865 120.400 0.241 0.000 2.253 305 K HA 0.667 4.987 4.320 -0.000 0.000 0.277 305 K C 0.096 176.784 176.600 0.148 0.000 1.053 305 K CA -0.440 55.933 56.287 0.142 0.000 0.892 305 K CB 0.045 32.601 32.500 0.093 0.000 1.102 305 K HN 1.739 nan 8.250 nan 0.000 0.469 306 A N 1.728 124.615 122.820 0.112 0.000 2.648 306 A HA -0.137 4.183 4.320 -0.000 0.000 0.297 306 A C 1.672 179.308 177.584 0.086 0.000 1.467 306 A CA 1.182 53.268 52.037 0.082 0.000 0.731 306 A CB -2.514 16.524 19.000 0.064 0.000 1.085 306 A HN 2.170 nan 8.150 nan 0.000 0.437 307 S N -0.301 115.459 115.700 0.100 0.000 2.382 307 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 307 S C 1.890 176.500 174.600 0.017 0.000 1.027 307 S CA 1.806 60.036 58.200 0.049 0.000 0.991 307 S CB -0.493 62.757 63.200 0.084 0.000 0.823 307 S HN 1.245 nan 8.310 nan 0.000 0.469 308 S N 2.387 118.102 115.700 0.025 0.000 2.368 308 S HA 0.075 4.545 4.470 -0.000 0.000 0.225 308 S C 2.340 176.985 174.600 0.076 0.000 1.030 308 S CA 1.080 59.304 58.200 0.040 0.000 0.999 308 S CB -0.853 62.352 63.200 0.008 0.000 0.844 308 S HN 0.801 nan 8.310 nan 0.000 0.459 309 A N 1.106 123.952 122.820 0.044 0.000 1.873 309 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 309 A C 2.346 179.945 177.584 0.025 0.000 1.186 309 A CA 1.461 53.517 52.037 0.032 0.000 0.616 309 A CB -0.883 18.134 19.000 0.027 0.000 0.823 309 A HN 0.339 nan 8.150 nan 0.000 0.442 310 V N -1.152 118.771 119.914 0.014 0.000 2.295 310 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 310 V C 2.287 178.363 176.094 -0.030 0.000 1.049 310 V CA 2.116 64.395 62.300 -0.035 0.000 1.024 310 V CB -1.020 30.727 31.823 -0.126 0.000 0.648 310 V HN 0.635 nan 8.190 nan 0.000 0.447 311 F N 1.488 121.344 119.950 -0.156 0.000 2.095 311 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 311 F C 2.498 178.293 175.800 -0.008 0.000 1.104 311 F CA 2.434 60.372 58.000 -0.103 0.000 1.232 311 F CB -0.114 38.822 39.000 -0.107 0.000 0.987 311 F HN 0.041 nan 8.300 nan 0.000 0.475 312 K N 0.409 120.801 120.400 -0.013 0.000 2.057 312 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 312 K C 2.389 178.955 176.600 -0.056 0.000 1.049 312 K CA 1.718 57.951 56.287 -0.091 0.000 0.931 312 K CB -0.937 31.547 32.500 -0.027 0.000 0.714 312 K HN 0.262 nan 8.250 nan 0.000 0.440 313 S N -0.350 115.326 115.700 -0.040 0.000 2.353 313 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 313 S C 1.729 176.295 174.600 -0.056 0.000 1.035 313 S CA 1.509 59.689 58.200 -0.034 0.000 1.025 313 S CB -0.344 62.841 63.200 -0.025 0.000 0.902 313 S HN 0.287 nan 8.310 nan 0.000 0.440 314 L N 1.220 122.389 121.223 -0.091 0.000 2.141 314 L HA 0.016 4.356 4.340 -0.000 0.000 0.209 314 L C 2.129 178.898 176.870 -0.168 0.000 1.094 314 L CA 1.295 56.060 54.840 -0.125 0.000 0.763 314 L CB -0.980 40.999 42.059 -0.133 0.000 0.908 314 L HN 0.582 nan 8.230 nan 0.000 0.437 315 W N 1.126 122.184 121.300 -0.404 0.000 2.355 315 W HA -0.220 4.439 4.660 -0.000 0.000 0.309 315 W C 1.669 178.014 176.519 -0.289 0.000 1.206 315 W CA 1.631 58.712 57.345 -0.440 0.000 1.284 315 W CB -0.180 28.926 29.460 -0.590 0.000 1.145 315 W HN 0.254 nan 8.180 nan 0.000 0.502 316 D N 0.090 120.539 120.400 0.082 0.000 2.309 316 D HA -0.157 4.483 4.640 -0.000 0.000 0.212 316 D C 1.661 177.911 176.300 -0.083 0.000 0.968 316 D CA 1.208 55.228 54.000 0.032 0.000 0.882 316 D CB -0.274 40.548 40.800 0.036 0.000 0.918 316 D HN 0.468 nan 8.370 nan 0.000 0.503 317 Q N -0.799 118.923 119.800 -0.129 0.000 2.280 317 Q HA 0.280 4.620 4.340 -0.000 0.000 0.201 317 Q C 1.040 176.913 176.000 -0.211 0.000 0.890 317 Q CA 0.270 55.989 55.803 -0.140 0.000 0.947 317 Q CB 1.008 29.681 28.738 -0.108 0.000 1.081 317 Q HN 0.216 nan 8.270 nan 0.000 0.502 318 G N 1.426 110.029 108.800 -0.329 0.000 2.157 318 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 318 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 318 G C 0.119 174.715 174.900 -0.506 0.000 0.979 318 G CA -0.273 44.563 45.100 -0.440 0.000 0.650 318 G HN 0.355 nan 8.290 nan 0.000 0.529 319 I N 2.492 122.809 120.570 -0.422 0.000 2.310 319 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 319 I C 0.127 175.989 176.117 -0.425 0.000 1.073 319 I CA -0.900 60.187 61.300 -0.355 0.000 1.216 319 I CB 0.704 38.580 38.000 -0.205 0.000 1.415 319 I HN -0.097 nan 8.210 nan 0.000 0.480 320 I N 7.457 127.706 120.570 -0.535 0.000 2.322 320 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 320 I C 0.312 176.376 176.117 -0.088 0.000 1.060 320 I CA 0.025 61.042 61.300 -0.472 0.000 1.309 320 I CB 0.132 37.686 38.000 -0.743 0.000 1.415 320 I HN 0.471 nan 8.210 nan 0.000 0.492 321 L N 5.614 126.887 121.223 0.083 0.000 2.491 321 L HA 0.609 4.949 4.340 -0.000 0.000 0.264 321 L C 0.236 177.395 176.870 0.481 0.000 1.053 321 L CA -1.170 53.824 54.840 0.258 0.000 0.858 321 L CB 0.815 43.033 42.059 0.264 0.000 1.519 321 L HN 0.371 nan 8.230 nan 0.000 0.508 322 R N 0.701 121.410 120.500 0.348 0.000 2.435 322 R HA 0.242 4.582 4.340 -0.000 0.000 0.308 322 R C -1.262 175.019 176.300 -0.031 0.000 0.975 322 R CA -0.605 55.617 56.100 0.204 0.000 0.867 322 R CB 0.534 30.897 30.300 0.104 0.000 1.171 322 R HN 0.359 nan 8.270 nan 0.000 0.470 323 D N 2.167 122.337 120.400 -0.383 0.000 2.383 323 D HA 0.077 4.717 4.640 -0.000 0.000 0.252 323 D C -0.115 175.999 176.300 -0.311 0.000 1.166 323 D CA 0.302 53.907 54.000 -0.658 0.000 0.879 323 D CB 1.168 41.230 40.800 -1.231 0.000 1.164 323 D HN 0.428 nan 8.370 nan 0.000 0.462 324 Q N 2.603 122.277 119.800 -0.209 0.000 2.217 324 Q HA 0.045 4.385 4.340 -0.000 0.000 0.217 324 Q C 1.351 177.289 176.000 -0.104 0.000 0.844 324 Q CA -0.111 55.615 55.803 -0.129 0.000 0.957 324 Q CB -0.153 28.533 28.738 -0.088 0.000 1.127 324 Q HN 0.652 nan 8.270 nan 0.000 0.503 325 N N 1.430 120.053 118.700 -0.128 0.000 2.187 325 N HA -0.210 4.530 4.740 -0.000 0.000 0.194 325 N C 1.012 176.485 175.510 -0.061 0.000 1.002 325 N CA 1.085 54.085 53.050 -0.083 0.000 0.882 325 N CB 0.231 38.647 38.487 -0.118 0.000 1.003 325 N HN 0.148 nan 8.380 nan 0.000 0.443 326 K N 0.166 120.517 120.400 -0.081 0.000 2.404 326 K HA 0.102 4.421 4.320 -0.000 0.000 0.194 326 K C 0.084 176.662 176.600 -0.036 0.000 1.023 326 K CA 0.036 56.289 56.287 -0.057 0.000 1.094 326 K CB 0.443 32.901 32.500 -0.071 0.000 0.841 326 K HN 0.275 nan 8.250 nan 0.000 0.523 327 Q N 1.777 121.555 119.800 -0.037 0.000 2.293 327 Q HA 0.155 4.495 4.340 -0.000 0.000 0.251 327 Q C -2.389 173.617 176.000 0.011 0.000 0.930 327 Q CA -2.022 53.770 55.803 -0.019 0.000 0.893 327 Q CB 1.051 29.763 28.738 -0.044 0.000 1.215 327 Q HN 0.065 nan 8.270 nan 0.000 0.425 328 P HA -0.127 nan 4.420 nan 0.000 0.261 328 P C 0.252 177.607 177.300 0.093 0.000 1.183 328 P CA 0.836 63.968 63.100 0.054 0.000 0.761 328 P CB 0.596 32.330 31.700 0.057 0.000 0.785 329 S N 1.718 117.475 115.700 0.095 0.000 2.857 329 S HA -0.202 4.268 4.470 -0.000 0.000 0.268 329 S C 0.389 175.089 174.600 0.168 0.000 1.297 329 S CA 1.092 59.375 58.200 0.138 0.000 1.280 329 S CB -2.453 60.874 63.200 0.212 0.000 1.562 329 S HN 0.438 nan 8.310 nan 0.000 0.661 330 L N 2.065 123.355 121.223 0.111 0.000 2.912 330 L HA 0.424 4.764 4.340 -0.000 0.000 0.240 330 L C 0.924 177.838 176.870 0.075 0.000 1.262 330 L CA 0.190 55.082 54.840 0.087 0.000 1.058 330 L CB 0.489 42.545 42.059 -0.004 0.000 1.383 330 L HN 0.442 nan 8.230 nan 0.000 0.512 331 S N 0.598 116.346 115.700 0.081 0.000 2.525 331 S HA 0.316 4.786 4.470 -0.000 0.000 0.285 331 S C 1.333 175.993 174.600 0.100 0.000 1.283 331 S CA 0.811 59.050 58.200 0.066 0.000 1.072 331 S CB 0.423 63.657 63.200 0.057 0.000 0.867 331 S HN 0.759 nan 8.310 nan 0.000 0.492 332 G N 3.322 112.177 108.800 0.091 0.000 2.157 332 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 332 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 332 G C 0.214 175.251 174.900 0.229 0.000 0.979 332 G CA 0.014 45.200 45.100 0.143 0.000 0.650 332 G HN 0.895 nan 8.290 nan 0.000 0.529 333 C N 0.724 120.133 119.300 0.182 0.000 2.376 333 C HA 0.839 5.299 4.460 -0.000 0.000 0.335 333 C C 0.535 175.617 174.990 0.154 0.000 1.229 333 C CA -0.774 58.389 59.018 0.242 0.000 1.867 333 C CB 0.903 28.752 27.740 0.181 0.000 2.319 333 C HN 0.432 nan 8.230 nan 0.000 0.515 334 L N 2.634 124.014 121.223 0.263 0.000 2.386 334 L HA 0.608 4.948 4.340 -0.000 0.000 0.271 334 L C -0.016 176.970 176.870 0.193 0.000 0.993 334 L CA -0.572 54.345 54.840 0.128 0.000 0.819 334 L CB 1.381 43.441 42.059 0.001 0.000 1.294 334 L HN 0.621 nan 8.230 nan 0.000 0.414 335 R N 3.044 123.605 120.500 0.102 0.000 2.229 335 R HA 0.605 4.945 4.340 -0.000 0.000 0.328 335 R C -1.123 175.259 176.300 0.136 0.000 1.009 335 R CA -0.468 55.691 56.100 0.099 0.000 0.864 335 R CB 0.867 31.153 30.300 -0.023 0.000 1.085 335 R HN 0.569 nan 8.270 nan 0.000 0.453 336 I N 3.828 124.501 120.570 0.172 0.000 2.355 336 I HA 0.172 4.342 4.170 -0.000 0.000 0.288 336 I C 0.143 176.354 176.117 0.156 0.000 0.999 336 I CA -0.561 60.835 61.300 0.160 0.000 1.163 336 I CB 2.032 40.133 38.000 0.167 0.000 1.316 336 I HN 0.513 nan 8.210 nan 0.000 0.454 337 T N 5.543 120.184 114.554 0.146 0.000 2.919 337 T HA 0.193 4.543 4.350 -0.000 0.000 0.302 337 T C 0.243 175.007 174.700 0.107 0.000 1.031 337 T CA -0.356 61.836 62.100 0.153 0.000 1.127 337 T CB 1.177 70.140 68.868 0.159 0.000 0.952 337 T HN 0.196 nan 8.240 nan 0.000 0.540 338 V N 3.774 123.734 119.914 0.077 0.000 2.455 338 V HA 0.505 4.625 4.120 -0.000 0.000 0.273 338 V C 1.006 177.126 176.094 0.044 0.000 1.045 338 V CA 0.047 62.376 62.300 0.048 0.000 0.976 338 V CB 0.621 32.448 31.823 0.006 0.000 0.993 338 V HN 1.087 nan 8.190 nan 0.000 0.475 339 G N 4.068 112.888 108.800 0.034 0.000 3.341 339 G HA2 0.541 4.501 3.960 -0.000 0.000 0.177 339 G HA3 0.541 4.501 3.960 -0.000 0.000 0.177 339 G C 0.237 175.122 174.900 -0.025 0.000 1.236 339 G CA 0.331 45.426 45.100 -0.009 0.000 0.888 339 G HN 0.701 nan 8.290 nan 0.000 0.644 340 T N -2.089 112.447 114.554 -0.030 0.000 2.847 340 T HA 0.361 4.711 4.350 -0.000 0.000 0.279 340 T C 1.385 176.088 174.700 0.006 0.000 0.984 340 T CA -0.178 61.906 62.100 -0.026 0.000 0.988 340 T CB 1.859 70.705 68.868 -0.036 0.000 1.040 340 T HN 0.379 nan 8.240 nan 0.000 0.528 341 R N 0.838 121.332 120.500 -0.010 0.000 2.091 341 R HA -0.034 4.306 4.340 -0.000 0.000 0.238 341 R C 2.753 179.058 176.300 0.008 0.000 1.136 341 R CA 2.519 58.606 56.100 -0.021 0.000 0.959 341 R CB -1.462 28.780 30.300 -0.096 0.000 0.856 341 R HN 0.930 nan 8.270 nan 0.000 0.437 342 E N 0.985 121.183 120.200 -0.003 0.000 2.110 342 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 342 E C 1.846 178.456 176.600 0.017 0.000 0.988 342 E CA 1.607 58.010 56.400 0.005 0.000 0.804 342 E CB -0.597 29.100 29.700 -0.006 0.000 0.745 342 E HN 0.775 nan 8.360 nan 0.000 0.458 343 E N 0.365 120.575 120.200 0.016 0.000 2.106 343 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 343 E C 2.549 179.172 176.600 0.039 0.000 0.984 343 E CA 1.142 57.551 56.400 0.016 0.000 0.806 343 E CB -0.023 29.684 29.700 0.013 0.000 0.750 343 E HN 0.423 nan 8.360 nan 0.000 0.458 344 S N 1.108 116.852 115.700 0.074 0.000 2.382 344 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 344 S C 1.980 176.653 174.600 0.121 0.000 1.027 344 S CA 1.120 59.389 58.200 0.115 0.000 0.991 344 S CB -0.149 63.175 63.200 0.206 0.000 0.823 344 S HN 0.119 nan 8.310 nan 0.000 0.469 345 Q N 1.360 121.237 119.800 0.129 0.000 2.124 345 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 345 Q C 2.129 178.163 176.000 0.058 0.000 0.977 345 Q CA 1.247 57.119 55.803 0.114 0.000 0.850 345 Q CB -0.124 28.669 28.738 0.091 0.000 0.901 345 Q HN 0.184 nan 8.270 nan 0.000 0.429 346 R N -0.666 119.854 120.500 0.033 0.000 2.081 346 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 346 R C 2.192 178.495 176.300 0.005 0.000 1.131 346 R CA 1.363 57.465 56.100 0.005 0.000 0.960 346 R CB -0.967 29.321 30.300 -0.020 0.000 0.856 346 R HN 0.245 nan 8.270 nan 0.000 0.436 347 V N 1.477 121.401 119.914 0.018 0.000 2.307 347 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 347 V C 2.466 178.584 176.094 0.039 0.000 1.045 347 V CA 1.628 63.943 62.300 0.025 0.000 1.024 347 V CB -0.481 31.369 31.823 0.046 0.000 0.651 347 V HN 0.172 nan 8.190 nan 0.000 0.449 348 I N 0.346 120.941 120.570 0.042 0.000 2.091 348 I HA -0.294 3.876 4.170 -0.000 0.000 0.239 348 I C 2.411 178.547 176.117 0.031 0.000 1.061 348 I CA 1.982 63.301 61.300 0.032 0.000 1.317 348 I CB -0.658 37.355 38.000 0.023 0.000 1.031 348 I HN 0.325 nan 8.210 nan 0.000 0.401 349 D N 1.093 121.511 120.400 0.030 0.000 2.092 349 D HA -0.196 4.443 4.640 -0.000 0.000 0.193 349 D C 2.251 178.561 176.300 0.016 0.000 0.994 349 D CA 1.788 55.801 54.000 0.022 0.000 0.828 349 D CB -0.417 40.393 40.800 0.017 0.000 0.963 349 D HN 0.397 nan 8.370 nan 0.000 0.450 350 A N 0.904 123.729 122.820 0.010 0.000 1.892 350 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 350 A C 2.464 180.058 177.584 0.018 0.000 1.188 350 A CA 1.211 53.249 52.037 0.001 0.000 0.631 350 A CB -0.913 18.076 19.000 -0.017 0.000 0.822 350 A HN 0.233 nan 8.150 nan 0.000 0.447 351 L N -1.465 119.782 121.223 0.041 0.000 2.093 351 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 351 L C 2.804 179.712 176.870 0.063 0.000 1.085 351 L CA 1.271 56.157 54.840 0.076 0.000 0.755 351 L CB -0.405 41.736 42.059 0.136 0.000 0.904 351 L HN 0.358 nan 8.230 nan 0.000 0.435 352 R N -0.185 120.340 120.500 0.042 0.000 2.189 352 R HA -0.051 4.289 4.340 -0.000 0.000 0.223 352 R C 2.175 178.490 176.300 0.025 0.000 1.092 352 R CA 0.936 57.055 56.100 0.030 0.000 0.989 352 R CB -0.240 30.072 30.300 0.021 0.000 0.876 352 R HN 0.299 nan 8.270 nan 0.000 0.457 353 A N 0.808 123.641 122.820 0.021 0.000 2.209 353 A HA -0.070 4.250 4.320 -0.000 0.000 0.212 353 A C 1.162 178.756 177.584 0.018 0.000 1.158 353 A CA 0.827 52.873 52.037 0.014 0.000 0.742 353 A CB 0.018 19.022 19.000 0.007 0.000 0.790 353 A HN 0.156 nan 8.150 nan 0.000 0.472 354 E N -2.098 118.119 120.200 0.029 0.000 3.388 354 E HA 0.325 4.675 4.350 -0.000 0.000 0.390 354 E C 1.450 178.072 176.600 0.036 0.000 0.432 354 E CA 0.952 57.372 56.400 0.034 0.000 2.109 354 E CB -0.868 28.863 29.700 0.051 0.000 2.195 354 E HN 0.722 nan 8.360 nan 0.000 0.488 355 Q N -1.092 118.737 119.800 0.049 0.000 2.305 355 Q HA -0.219 4.121 4.340 -0.000 0.000 0.203 355 Q C 0.906 176.925 176.000 0.032 0.000 0.663 355 Q CA 1.740 57.568 55.803 0.041 0.000 1.389 355 Q CB -2.860 25.895 28.738 0.029 0.000 1.566 355 Q HN 0.662 nan 8.270 nan 0.000 0.755 356 V N 0.000 119.933 119.914 0.031 0.000 2.409 356 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 356 V CA 0.000 62.315 62.300 0.024 0.000 1.235 356 V CB 0.000 31.837 31.823 0.024 0.000 1.184 356 V HN 0.000 nan 8.190 nan 0.000 0.556