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 1fg7_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 62.101 62.100 0.001 0.000 1.349 3 T CB 0.000 68.869 68.868 0.001 0.000 0.612 4 V N 3.538 123.453 119.914 0.001 0.000 2.427 4 V HA 0.659 4.779 4.120 -0.000 0.000 0.286 4 V C 1.022 177.117 176.094 0.002 0.000 1.034 4 V CA -0.610 61.691 62.300 0.001 0.000 0.893 4 V CB 1.568 33.392 31.823 0.002 0.000 0.982 4 V HN 1.109 nan 8.190 nan 0.000 0.452 5 T N 2.246 116.801 114.554 0.002 0.000 2.881 5 T HA 0.421 4.771 4.350 -0.000 0.000 0.278 5 T C 1.197 175.898 174.700 0.002 0.000 0.982 5 T CA -0.695 61.406 62.100 0.002 0.000 0.989 5 T CB 1.021 69.890 68.868 0.001 0.000 1.058 5 T HN 0.226 nan 8.240 nan 0.000 0.529 6 I N 0.821 121.392 120.570 0.002 0.000 2.315 6 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 6 I C 2.665 178.783 176.117 0.002 0.000 1.117 6 I CA 1.318 62.619 61.300 0.002 0.000 1.404 6 I CB -1.948 36.053 38.000 0.002 0.000 1.071 6 I HN 0.770 nan 8.210 nan 0.000 0.419 7 T N 0.688 115.243 114.554 0.002 0.000 2.833 7 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 7 T C 1.434 176.136 174.700 0.002 0.000 1.054 7 T CA 1.243 63.344 62.100 0.002 0.000 1.135 7 T CB -0.205 68.664 68.868 0.002 0.000 0.869 7 T HN 0.300 nan 8.240 nan 0.000 0.466 8 D N 1.050 121.452 120.400 0.002 0.000 2.264 8 D HA 0.021 4.661 4.640 -0.000 0.000 0.208 8 D C 1.881 178.183 176.300 0.003 0.000 0.966 8 D CA 0.630 54.631 54.000 0.002 0.000 0.864 8 D CB -0.081 40.721 40.800 0.002 0.000 0.933 8 D HN 0.380 nan 8.370 nan 0.000 0.499 9 L N 0.365 121.589 121.223 0.003 0.000 2.418 9 L HA 0.127 4.467 4.340 -0.000 0.000 0.218 9 L C 1.302 178.174 176.870 0.003 0.000 1.125 9 L CA -0.187 54.655 54.840 0.003 0.000 0.835 9 L CB -0.211 41.850 42.059 0.003 0.000 0.953 9 L HN -0.137 nan 8.230 nan 0.000 0.454 10 A N 0.731 123.553 122.820 0.003 0.000 2.406 10 A HA 0.292 4.612 4.320 -0.000 0.000 0.243 10 A C 0.298 177.885 177.584 0.004 0.000 1.082 10 A CA -0.287 51.752 52.037 0.003 0.000 0.786 10 A CB 0.163 19.165 19.000 0.003 0.000 1.029 10 A HN 0.240 nan 8.150 nan 0.000 0.495 11 R N 0.103 120.606 120.500 0.005 0.000 2.679 11 R HA 0.071 4.411 4.340 -0.000 0.000 0.268 11 R C 0.946 177.250 176.300 0.006 0.000 1.044 11 R CA 0.302 56.406 56.100 0.006 0.000 1.105 11 R CB 0.334 30.638 30.300 0.006 0.000 0.989 11 R HN 0.941 nan 8.270 nan 0.000 0.447 12 E N 2.460 122.664 120.200 0.007 0.000 2.058 12 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 12 E C 1.502 178.107 176.600 0.008 0.000 0.997 12 E CA 2.130 58.534 56.400 0.007 0.000 0.801 12 E CB -0.036 29.668 29.700 0.008 0.000 0.746 12 E HN 0.695 nan 8.360 nan 0.000 0.450 13 N N 0.229 118.935 118.700 0.009 0.000 2.223 13 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 13 N C 1.814 177.328 175.510 0.008 0.000 1.016 13 N CA 1.737 54.793 53.050 0.010 0.000 0.863 13 N CB -0.568 37.927 38.487 0.013 0.000 0.983 13 N HN 0.197 nan 8.380 nan 0.000 0.429 14 V N 1.291 121.209 119.914 0.007 0.000 2.427 14 V HA -0.081 4.039 4.120 -0.000 0.000 0.248 14 V C 2.761 178.858 176.094 0.004 0.000 1.051 14 V CA 1.337 63.640 62.300 0.005 0.000 1.048 14 V CB -0.547 31.279 31.823 0.004 0.000 0.666 14 V HN 0.281 nan 8.190 nan 0.000 0.456 15 R N 0.519 121.022 120.500 0.004 0.000 2.092 15 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 15 R C 1.976 178.278 176.300 0.003 0.000 1.119 15 R CA 1.529 57.631 56.100 0.003 0.000 0.970 15 R CB -0.296 30.006 30.300 0.004 0.000 0.864 15 R HN 0.547 nan 8.270 nan 0.000 0.440 16 N N 0.989 119.692 118.700 0.005 0.000 2.424 16 N HA -0.018 4.721 4.740 -0.000 0.000 0.178 16 N C 0.522 176.035 175.510 0.005 0.000 1.060 16 N CA 0.251 53.303 53.050 0.005 0.000 0.901 16 N CB -0.145 38.346 38.487 0.006 0.000 0.979 16 N HN 0.104 nan 8.380 nan 0.000 0.451 17 L N -0.420 120.806 121.223 0.005 0.000 2.464 17 L HA 0.414 4.754 4.340 -0.000 0.000 0.264 17 L C 0.097 176.968 176.870 0.002 0.000 1.199 17 L CA -0.048 54.795 54.840 0.005 0.000 0.818 17 L CB 0.066 42.128 42.059 0.005 0.000 1.102 17 L HN -0.250 nan 8.230 nan 0.000 0.473 18 T N 2.459 117.014 114.554 0.001 0.000 2.772 18 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 18 T C -2.326 172.376 174.700 0.003 0.000 0.994 18 T CA -0.779 61.320 62.100 -0.003 0.000 0.951 18 T CB 0.899 69.761 68.868 -0.009 0.000 0.933 18 T HN 0.711 nan 8.240 nan 0.000 0.447 19 P HA -0.002 nan 4.420 nan 0.000 0.266 19 P C -0.397 176.924 177.300 0.034 0.000 1.195 19 P CA -0.470 62.643 63.100 0.022 0.000 0.768 19 P CB 0.466 32.174 31.700 0.014 0.000 0.838 20 Y N 1.437 121.690 120.300 -0.078 0.000 2.895 20 Y HA 0.074 4.624 4.550 -0.000 0.000 0.334 20 Y C 1.065 176.923 175.900 -0.069 0.000 1.261 20 Y CA 0.835 58.874 58.100 -0.103 0.000 1.560 20 Y CB -0.260 38.115 38.460 -0.141 0.000 1.253 20 Y HN 0.553 nan 8.280 nan 0.000 0.582 21 Q N 4.461 123.845 119.800 -0.693 0.000 2.844 21 Q HA 0.367 4.707 4.340 -0.000 0.000 0.235 21 Q C 0.855 176.348 176.000 -0.843 0.000 1.336 21 Q CA 0.071 55.528 55.803 -0.576 0.000 1.026 21 Q CB -0.541 27.988 28.738 -0.348 0.000 1.513 21 Q HN 0.868 nan 8.270 nan 0.000 0.577 22 S N -0.239 115.067 115.700 -0.658 0.000 2.398 22 S HA 0.477 4.947 4.470 -0.000 0.000 0.220 22 S C 1.434 175.980 174.600 -0.090 0.000 1.046 22 S CA 0.549 58.546 58.200 -0.337 0.000 0.953 22 S CB -0.237 62.973 63.200 0.016 0.000 0.856 22 S HN 1.394 nan 8.310 nan 0.000 0.506 23 A N 1.470 124.262 122.820 -0.046 0.000 2.520 23 A HA 0.594 4.914 4.320 -0.000 0.000 0.235 23 A C 0.704 178.340 177.584 0.088 0.000 1.065 23 A CA 0.447 52.505 52.037 0.036 0.000 0.764 23 A CB -0.244 18.775 19.000 0.031 0.000 1.002 23 A HN 1.510 nan 8.150 nan 0.000 0.502 24 R N 0.161 120.777 120.500 0.193 0.000 2.719 24 R HA 0.535 4.875 4.340 -0.000 0.000 0.175 24 R C -0.071 176.499 176.300 0.450 0.000 1.355 24 R CA 0.740 57.050 56.100 0.351 0.000 1.082 24 R CB -1.448 29.097 30.300 0.408 0.000 1.468 24 R HN 2.065 nan 8.270 nan 0.000 0.682 25 R N -0.427 120.274 120.500 0.336 0.000 2.607 25 R HA 1.040 5.380 4.340 -0.000 0.000 0.261 25 R C 0.657 177.144 176.300 0.311 0.000 1.051 25 R CA 0.315 56.615 56.100 0.333 0.000 1.110 25 R CB 0.928 31.337 30.300 0.182 0.000 1.158 25 R HN 2.004 nan 8.270 nan 0.000 0.543 26 L N 0.177 121.577 121.223 0.294 0.000 2.363 26 L HA 0.621 4.961 4.340 -0.000 0.000 0.266 26 L C 0.635 177.618 176.870 0.188 0.000 1.494 26 L CA -0.291 54.648 54.840 0.165 0.000 0.704 26 L CB 0.149 42.195 42.059 -0.020 0.000 0.916 26 L HN 1.547 nan 8.230 nan 0.000 0.527 27 G N -0.248 108.662 108.800 0.183 0.000 2.257 27 G HA2 0.464 4.424 3.960 -0.000 0.000 0.235 27 G HA3 0.464 4.424 3.960 -0.000 0.000 0.235 27 G C 1.479 176.448 174.900 0.114 0.000 1.225 27 G CA 0.979 46.165 45.100 0.144 0.000 0.878 27 G HN 2.478 nan 8.290 nan 0.000 0.505 28 G N 0.300 109.174 108.800 0.124 0.000 2.200 28 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.267 28 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.267 28 G C 0.958 175.883 174.900 0.043 0.000 0.993 28 G CA 1.636 46.781 45.100 0.076 0.000 0.701 28 G HN 1.552 nan 8.290 nan 0.000 0.524 29 N N -0.326 118.393 118.700 0.032 0.000 2.545 29 N HA 0.510 5.250 4.740 -0.000 0.000 0.190 29 N C 1.525 176.926 175.510 -0.182 0.000 1.043 29 N CA 1.330 54.342 53.050 -0.064 0.000 0.879 29 N CB 0.075 38.518 38.487 -0.073 0.000 1.210 29 N HN 1.274 nan 8.380 nan 0.000 0.437 30 G N 0.444 109.086 108.800 -0.264 0.000 2.348 30 G HA2 0.438 4.398 3.960 -0.000 0.000 0.312 30 G HA3 0.438 4.398 3.960 -0.000 0.000 0.312 30 G C -0.141 174.566 174.900 -0.320 0.000 1.126 30 G CA 0.353 45.102 45.100 -0.585 0.000 0.865 30 G HN 0.444 nan 8.290 nan 0.000 0.474 31 D N 0.299 120.509 120.400 -0.317 0.000 2.454 31 D HA -0.041 4.599 4.640 -0.000 0.000 0.219 31 D C 0.495 176.730 176.300 -0.107 0.000 1.081 31 D CA 0.142 54.086 54.000 -0.095 0.000 0.867 31 D CB 0.570 41.328 40.800 -0.071 0.000 1.054 31 D HN 0.148 nan 8.370 nan 0.000 0.500 32 V N 1.645 121.363 119.914 -0.327 0.000 2.304 32 V HA 0.256 4.376 4.120 -0.000 0.000 0.278 32 V C -1.261 174.614 176.094 -0.364 0.000 1.018 32 V CA -0.851 61.319 62.300 -0.217 0.000 0.814 32 V CB 0.734 32.454 31.823 -0.172 0.000 1.021 32 V HN 0.030 nan 8.190 nan 0.000 0.440 33 W N 6.030 127.285 121.300 -0.075 0.000 2.283 33 W HA 0.660 5.319 4.660 -0.000 0.000 0.317 33 W C 0.130 176.635 176.519 -0.023 0.000 1.042 33 W CA -0.497 56.809 57.345 -0.064 0.000 1.348 33 W CB 0.890 30.319 29.460 -0.053 0.000 1.216 33 W HN 0.389 nan 8.180 nan 0.000 0.404 34 L N 4.842 126.142 121.223 0.128 0.000 3.059 34 L HA 0.170 4.510 4.340 -0.000 0.000 0.298 34 L C 0.964 177.914 176.870 0.135 0.000 1.304 34 L CA -0.068 54.844 54.840 0.119 0.000 0.855 34 L CB -0.179 41.922 42.059 0.069 0.000 1.266 34 L HN 0.500 nan 8.230 nan 0.000 0.572 35 N N -0.068 118.742 118.700 0.185 0.000 2.181 35 N HA 0.122 4.862 4.740 -0.000 0.000 0.207 35 N C 0.720 176.332 175.510 0.170 0.000 1.182 35 N CA 0.451 53.614 53.050 0.188 0.000 0.893 35 N CB 1.030 39.661 38.487 0.241 0.000 1.032 35 N HN 0.181 nan 8.380 nan 0.000 0.513 36 A N 0.349 123.274 122.820 0.174 0.000 2.603 36 A HA 0.300 4.620 4.320 -0.000 0.000 0.277 36 A C 0.034 177.721 177.584 0.173 0.000 1.158 36 A CA -0.392 51.739 52.037 0.158 0.000 0.962 36 A CB -0.156 18.936 19.000 0.152 0.000 1.189 36 A HN 0.109 nan 8.150 nan 0.000 0.552 37 N N 0.817 119.626 118.700 0.182 0.000 2.725 37 N HA -0.154 4.586 4.740 -0.000 0.000 0.249 37 N C -0.509 175.177 175.510 0.293 0.000 1.103 37 N CA 1.525 54.734 53.050 0.265 0.000 0.707 37 N CB -1.456 37.250 38.487 0.366 0.000 1.043 37 N HN 0.826 nan 8.380 nan 0.000 0.553 38 E N -0.399 119.938 120.200 0.229 0.000 2.319 38 E HA 0.225 4.575 4.350 -0.000 0.000 0.268 38 E C 0.041 176.796 176.600 0.259 0.000 1.050 38 E CA -0.776 55.763 56.400 0.232 0.000 0.878 38 E CB 0.733 30.532 29.700 0.164 0.000 1.066 38 E HN 0.213 nan 8.360 nan 0.000 0.406 39 Y N 4.290 124.697 120.300 0.178 0.000 2.511 39 Y HA 0.027 4.577 4.550 -0.000 0.000 0.332 39 Y C -1.397 174.581 175.900 0.130 0.000 1.177 39 Y CA -1.765 56.437 58.100 0.169 0.000 1.422 39 Y CB 0.710 39.267 38.460 0.161 0.000 1.271 39 Y HN 0.448 nan 8.280 nan 0.000 0.550 40 P HA -0.062 nan 4.420 nan 0.000 0.223 40 P C -0.423 176.751 177.300 -0.210 0.000 1.151 40 P CA 1.030 63.968 63.100 -0.269 0.000 0.787 40 P CB 0.324 31.865 31.700 -0.265 0.000 0.788 41 T N 0.182 114.550 114.554 -0.310 0.000 2.887 41 T HA 0.594 4.944 4.350 -0.000 0.000 0.288 41 T C -0.343 174.506 174.700 0.248 0.000 1.021 41 T CA -0.512 61.593 62.100 0.008 0.000 1.000 41 T CB 2.096 70.979 68.868 0.024 0.000 1.034 41 T HN 0.034 nan 8.240 nan 0.000 0.467 42 A N 2.088 125.004 122.820 0.162 0.000 2.440 42 A HA 0.577 4.897 4.320 -0.000 0.000 0.251 42 A C -0.132 177.550 177.584 0.163 0.000 1.089 42 A CA -0.377 51.759 52.037 0.166 0.000 0.779 42 A CB 0.087 19.146 19.000 0.097 0.000 1.022 42 A HN 0.675 nan 8.150 nan 0.000 0.492 43 V N 3.929 123.946 119.914 0.172 0.000 2.357 43 V HA 0.209 4.329 4.120 -0.000 0.000 0.284 43 V C 0.083 176.209 176.094 0.054 0.000 1.018 43 V CA -0.558 61.796 62.300 0.090 0.000 0.841 43 V CB 1.199 33.104 31.823 0.138 0.000 0.991 43 V HN 0.995 nan 8.190 nan 0.000 0.437 44 E N 4.308 124.445 120.200 -0.106 0.000 2.338 44 E HA 0.508 4.858 4.350 -0.000 0.000 0.272 44 E C -1.380 174.991 176.600 -0.381 0.000 1.029 44 E CA 0.031 56.364 56.400 -0.112 0.000 0.872 44 E CB 1.135 30.783 29.700 -0.087 0.000 1.015 44 E HN 0.490 nan 8.360 nan 0.000 0.417 45 F N 1.003 120.961 119.950 0.014 0.000 2.591 45 F HA 0.236 4.763 4.527 -0.000 0.000 0.309 45 F C 0.077 175.880 175.800 0.006 0.000 1.098 45 F CA -0.970 57.036 58.000 0.010 0.000 0.937 45 F CB 1.956 40.962 39.000 0.011 0.000 1.250 45 F HN 0.170 nan 8.300 nan 0.000 0.447 46 Q N 2.725 122.630 119.800 0.175 0.000 2.351 46 Q HA 0.564 4.904 4.340 -0.000 0.000 0.273 46 Q C -0.717 175.342 176.000 0.097 0.000 1.077 46 Q CA -0.968 54.895 55.803 0.100 0.000 0.843 46 Q CB 2.961 31.729 28.738 0.049 0.000 1.367 46 Q HN 0.615 nan 8.270 nan 0.000 0.449 47 L N 1.130 122.389 121.223 0.060 0.000 2.426 47 L HA 0.225 4.564 4.340 -0.000 0.000 0.271 47 L C 1.295 178.187 176.870 0.036 0.000 1.169 47 L CA 0.229 55.094 54.840 0.041 0.000 0.836 47 L CB 0.407 42.478 42.059 0.021 0.000 1.112 47 L HN 0.863 nan 8.230 nan 0.000 0.465 48 T N -2.054 112.519 114.554 0.032 0.000 2.975 48 T HA 0.126 4.476 4.350 -0.000 0.000 0.261 48 T C 0.530 175.240 174.700 0.017 0.000 0.984 48 T CA -0.257 61.859 62.100 0.027 0.000 0.911 48 T CB 0.295 69.185 68.868 0.035 0.000 1.127 48 T HN 0.562 nan 8.240 nan 0.000 0.514 49 Q N 1.910 121.717 119.800 0.011 0.000 2.462 49 Q HA 0.364 4.704 4.340 -0.000 0.000 0.247 49 Q C -0.778 175.220 176.000 -0.004 0.000 1.044 49 Q CA -0.497 55.308 55.803 0.004 0.000 0.803 49 Q CB 1.385 30.125 28.738 0.004 0.000 1.190 49 Q HN 0.148 nan 8.270 nan 0.000 0.507 50 Q N 1.892 121.689 119.800 -0.005 0.000 3.006 50 Q HA 0.078 4.418 4.340 -0.000 0.000 0.260 50 Q C 0.283 176.273 176.000 -0.017 0.000 1.356 50 Q CA 0.157 55.953 55.803 -0.012 0.000 1.070 50 Q CB 0.161 28.893 28.738 -0.009 0.000 1.507 50 Q HN 0.659 nan 8.270 nan 0.000 0.568 51 T N -3.420 111.120 114.554 -0.023 0.000 3.339 51 T HA 0.268 4.618 4.350 -0.000 0.000 0.292 51 T C 1.193 175.863 174.700 -0.050 0.000 1.012 51 T CA -0.263 61.821 62.100 -0.028 0.000 0.937 51 T CB -0.198 68.659 68.868 -0.018 0.000 1.164 51 T HN 0.315 nan 8.240 nan 0.000 0.509 52 L N 1.731 122.920 121.223 -0.057 0.000 2.447 52 L HA -0.059 4.281 4.340 -0.000 0.000 0.225 52 L C 2.562 179.361 176.870 -0.119 0.000 1.148 52 L CA 1.064 55.852 54.840 -0.086 0.000 0.808 52 L CB -0.681 41.334 42.059 -0.072 0.000 0.928 52 L HN 0.528 nan 8.230 nan 0.000 0.448 53 N N -0.118 118.524 118.700 -0.097 0.000 2.457 53 N HA -0.077 4.663 4.740 -0.000 0.000 0.180 53 N C 0.655 176.082 175.510 -0.138 0.000 1.050 53 N CA 0.427 53.411 53.050 -0.110 0.000 0.906 53 N CB 0.121 38.568 38.487 -0.066 0.000 0.968 53 N HN 0.207 nan 8.380 nan 0.000 0.445 54 R N 0.415 120.843 120.500 -0.120 0.000 2.540 54 R HA 0.271 4.611 4.340 -0.000 0.000 0.287 54 R C -0.568 175.635 176.300 -0.162 0.000 0.980 54 R CA -0.845 55.200 56.100 -0.092 0.000 0.966 54 R CB 0.358 30.645 30.300 -0.022 0.000 1.106 54 R HN 0.084 nan 8.270 nan 0.000 0.480 55 Y N 2.599 122.793 120.300 -0.178 0.000 2.480 55 Y HA 0.078 4.628 4.550 -0.000 0.000 0.338 55 Y C -1.007 174.791 175.900 -0.171 0.000 1.220 55 Y CA -0.214 57.697 58.100 -0.316 0.000 1.430 55 Y CB 0.059 38.148 38.460 -0.618 0.000 1.311 55 Y HN 0.430 nan 8.280 nan 0.000 0.575 56 P HA 0.181 nan 4.420 nan 0.000 0.297 56 P C -1.279 176.157 177.300 0.227 0.000 1.307 56 P CA -0.658 62.500 63.100 0.098 0.000 0.773 56 P CB 0.979 32.723 31.700 0.073 0.000 1.265 57 E N -1.028 119.272 120.200 0.168 0.000 2.373 57 E HA 0.074 4.424 4.350 -0.000 0.000 0.263 57 E C 1.078 177.781 176.600 0.171 0.000 1.073 57 E CA -0.518 55.980 56.400 0.163 0.000 0.894 57 E CB 0.487 30.241 29.700 0.089 0.000 1.008 57 E HN 0.384 nan 8.360 nan 0.000 0.420 58 C N 2.160 121.516 119.300 0.093 0.000 2.429 58 C HA -0.111 4.348 4.460 -0.000 0.000 0.277 58 C C 0.502 175.499 174.990 0.011 0.000 1.262 58 C CA 0.825 59.844 59.018 0.000 0.000 1.733 58 C CB -0.281 27.389 27.740 -0.116 0.000 2.010 58 C HN 0.532 nan 8.230 nan 0.000 0.483 59 Q N 0.587 120.398 119.800 0.018 0.000 2.771 59 Q HA 0.315 4.655 4.340 -0.000 0.000 0.247 59 Q C -2.624 173.398 176.000 0.037 0.000 0.986 59 Q CA -1.647 54.167 55.803 0.018 0.000 0.713 59 Q CB 0.901 29.648 28.738 0.015 0.000 1.241 59 Q HN 0.364 nan 8.270 nan 0.000 0.488 60 P HA -0.127 nan 4.420 nan 0.000 0.253 60 P C 0.886 178.218 177.300 0.054 0.000 1.159 60 P CA 0.557 63.684 63.100 0.045 0.000 0.779 60 P CB 0.529 32.248 31.700 0.033 0.000 0.745 61 K N 4.410 124.839 120.400 0.049 0.000 2.074 61 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 61 K C 1.777 178.410 176.600 0.055 0.000 1.048 61 K CA 1.856 58.173 56.287 0.050 0.000 0.926 61 K CB -0.374 32.151 32.500 0.040 0.000 0.713 61 K HN 0.437 nan 8.250 nan 0.000 0.444 62 A N 0.441 123.290 122.820 0.049 0.000 1.933 62 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 62 A C 2.203 179.826 177.584 0.066 0.000 1.175 62 A CA 1.609 53.675 52.037 0.048 0.000 0.628 62 A CB -0.468 18.555 19.000 0.038 0.000 0.814 62 A HN 0.189 nan 8.150 nan 0.000 0.444 63 V N 0.445 120.409 119.914 0.083 0.000 2.307 63 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 63 V C 2.426 178.641 176.094 0.202 0.000 1.045 63 V CA 1.560 63.942 62.300 0.137 0.000 1.024 63 V CB -0.647 31.257 31.823 0.134 0.000 0.651 63 V HN 0.489 nan 8.190 nan 0.000 0.449 64 I N 0.308 120.983 120.570 0.176 0.000 2.179 64 I HA -0.201 3.968 4.170 -0.000 0.000 0.242 64 I C 2.574 178.766 176.117 0.127 0.000 1.088 64 I CA 1.708 63.117 61.300 0.181 0.000 1.357 64 I CB -1.200 36.876 38.000 0.127 0.000 1.051 64 I HN 0.476 nan 8.210 nan 0.000 0.409 65 E N 0.526 120.778 120.200 0.086 0.000 2.072 65 E HA -0.196 4.153 4.350 -0.000 0.000 0.191 65 E C 1.865 178.490 176.600 0.042 0.000 0.985 65 E CA 0.952 57.385 56.400 0.055 0.000 0.801 65 E CB -0.157 29.568 29.700 0.042 0.000 0.750 65 E HN 0.478 nan 8.360 nan 0.000 0.452 66 N N 0.399 119.129 118.700 0.050 0.000 2.188 66 N HA -0.160 4.579 4.740 -0.000 0.000 0.184 66 N C 1.546 177.055 175.510 -0.001 0.000 1.018 66 N CA 0.884 53.951 53.050 0.028 0.000 0.858 66 N CB -0.401 38.105 38.487 0.031 0.000 0.989 66 N HN 0.219 nan 8.380 nan 0.000 0.426 67 Y N 1.246 121.479 120.300 -0.112 0.000 2.220 67 Y HA 0.006 4.556 4.550 -0.000 0.000 0.291 67 Y C 2.232 178.057 175.900 -0.126 0.000 1.129 67 Y CA 1.272 59.230 58.100 -0.237 0.000 1.161 67 Y CB -0.409 37.605 38.460 -0.743 0.000 0.997 67 Y HN 0.063 nan 8.280 nan 0.000 0.522 68 A N -0.055 122.753 122.820 -0.021 0.000 1.908 68 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 68 A C 2.123 179.640 177.584 -0.112 0.000 1.181 68 A CA 2.032 54.042 52.037 -0.045 0.000 0.627 68 A CB -0.944 18.064 19.000 0.015 0.000 0.818 68 A HN 0.578 nan 8.150 nan 0.000 0.445 69 Q N -1.289 118.467 119.800 -0.073 0.000 2.061 69 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 69 Q C 1.906 177.846 176.000 -0.099 0.000 0.984 69 Q CA 2.461 58.227 55.803 -0.062 0.000 0.846 69 Q CB -0.669 28.058 28.738 -0.018 0.000 0.902 69 Q HN 0.731 nan 8.270 nan 0.000 0.421 70 Y N -0.048 120.101 120.300 -0.251 0.000 2.145 70 Y HA -0.051 4.499 4.550 -0.000 0.000 0.286 70 Y C 1.946 177.649 175.900 -0.328 0.000 1.145 70 Y CA 1.859 59.783 58.100 -0.292 0.000 1.148 70 Y CB -0.815 37.406 38.460 -0.398 0.000 0.981 70 Y HN 0.179 nan 8.280 nan 0.000 0.507 71 A N -0.179 122.122 122.820 -0.866 0.000 2.119 71 A HA 0.261 4.581 4.320 -0.000 0.000 0.216 71 A C 1.922 179.257 177.584 -0.415 0.000 1.152 71 A CA 0.975 52.537 52.037 -0.792 0.000 0.708 71 A CB -1.353 17.313 19.000 -0.557 0.000 0.805 71 A HN 1.152 nan 8.150 nan 0.000 0.460 72 G N -1.112 107.514 108.800 -0.290 0.000 2.160 72 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.244 72 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.244 72 G C 0.262 175.098 174.900 -0.107 0.000 1.022 72 G CA 0.748 45.747 45.100 -0.169 0.000 0.741 72 G HN 1.776 nan 8.290 nan 0.000 0.508 73 V N -4.372 115.485 119.914 -0.096 0.000 3.158 73 V HA 0.885 5.005 4.120 -0.000 0.000 0.315 73 V C 0.404 176.485 176.094 -0.022 0.000 1.148 73 V CA -1.746 60.528 62.300 -0.043 0.000 1.042 73 V CB 1.509 33.318 31.823 -0.024 0.000 1.101 73 V HN 0.259 nan 8.190 nan 0.000 0.448 74 K N 1.719 122.119 120.400 -0.000 0.000 2.185 74 K HA 0.381 4.701 4.320 -0.000 0.000 0.271 74 K C -1.822 174.792 176.600 0.024 0.000 1.013 74 K CA -1.344 54.949 56.287 0.009 0.000 0.943 74 K CB 1.059 33.567 32.500 0.013 0.000 0.998 74 K HN 0.527 nan 8.250 nan 0.000 0.468 75 P HA -0.241 nan 4.420 nan 0.000 0.218 75 P C 0.738 178.067 177.300 0.049 0.000 1.148 75 P CA 1.416 64.542 63.100 0.043 0.000 0.822 75 P CB 0.121 31.844 31.700 0.038 0.000 0.784 76 E N 0.469 120.692 120.200 0.039 0.000 2.516 76 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 76 E C 1.065 177.692 176.600 0.046 0.000 1.069 76 E CA 0.742 57.166 56.400 0.039 0.000 0.876 76 E CB -0.564 29.155 29.700 0.030 0.000 0.843 76 E HN 0.413 nan 8.360 nan 0.000 0.530 77 Q N 0.703 120.533 119.800 0.050 0.000 2.220 77 Q HA 0.240 4.580 4.340 -0.000 0.000 0.205 77 Q C -0.493 175.551 176.000 0.074 0.000 0.865 77 Q CA -0.147 55.689 55.803 0.055 0.000 0.960 77 Q CB 1.490 30.255 28.738 0.044 0.000 1.097 77 Q HN 0.022 nan 8.270 nan 0.000 0.493 78 V N 1.361 121.328 119.914 0.089 0.000 2.656 78 V HA 0.497 4.617 4.120 -0.000 0.000 0.307 78 V C -0.796 175.373 176.094 0.124 0.000 1.051 78 V CA -0.887 61.490 62.300 0.129 0.000 0.893 78 V CB 2.330 34.254 31.823 0.168 0.000 0.999 78 V HN 0.172 nan 8.190 nan 0.000 0.426 79 L N 4.489 125.791 121.223 0.132 0.000 2.408 79 L HA 0.859 5.199 4.340 -0.000 0.000 0.268 79 L C -1.232 175.662 176.870 0.041 0.000 0.986 79 L CA -0.616 54.268 54.840 0.074 0.000 0.820 79 L CB 2.105 44.189 42.059 0.042 0.000 1.303 79 L HN 0.534 nan 8.230 nan 0.000 0.411 80 V N 4.407 124.281 119.914 -0.066 0.000 2.513 80 V HA 0.839 4.959 4.120 -0.000 0.000 0.299 80 V C -0.227 175.689 176.094 -0.296 0.000 1.035 80 V CA 0.441 62.525 62.300 -0.360 0.000 0.889 80 V CB 1.956 33.563 31.823 -0.359 0.000 0.988 80 V HN 1.041 nan 8.190 nan 0.000 0.440 81 S N 5.555 121.025 115.700 -0.383 0.000 2.794 81 S HA 0.550 5.020 4.470 -0.000 0.000 0.299 81 S C -0.358 174.096 174.600 -0.244 0.000 1.179 81 S CA -0.950 57.111 58.200 -0.231 0.000 0.838 81 S CB 1.374 64.484 63.200 -0.148 0.000 1.206 81 S HN 0.870 nan 8.310 nan 0.000 0.523 82 R N 1.001 121.410 120.500 -0.151 0.000 2.878 82 R HA 0.467 4.807 4.340 -0.000 0.000 0.239 82 R C 0.781 177.008 176.300 -0.120 0.000 1.515 82 R CA 1.014 57.037 56.100 -0.128 0.000 1.210 82 R CB -1.105 29.149 30.300 -0.077 0.000 1.209 82 R HN 1.333 nan 8.270 nan 0.000 0.610 83 G N 1.459 110.158 108.800 -0.167 0.000 2.860 83 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.553 83 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.553 83 G C 0.499 175.337 174.900 -0.104 0.000 1.439 83 G CA -0.334 44.688 45.100 -0.130 0.000 0.879 83 G HN 0.622 nan 8.290 nan 0.000 0.545 84 A N -0.770 122.010 122.820 -0.066 0.000 2.067 84 A HA 0.090 4.410 4.320 -0.000 0.000 0.219 84 A C 2.015 179.616 177.584 0.027 0.000 1.158 84 A CA 2.274 54.303 52.037 -0.014 0.000 0.661 84 A CB -0.332 18.664 19.000 -0.007 0.000 0.801 84 A HN 0.731 nan 8.150 nan 0.000 0.452 85 D N -0.266 120.141 120.400 0.012 0.000 2.123 85 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 85 D C 1.857 178.156 176.300 -0.001 0.000 0.992 85 D CA 1.669 55.677 54.000 0.013 0.000 0.833 85 D CB -0.237 40.554 40.800 -0.015 0.000 0.954 85 D HN 0.746 nan 8.370 nan 0.000 0.455 86 E N -0.061 120.129 120.200 -0.017 0.000 2.152 86 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 86 E C 2.109 178.718 176.600 0.016 0.000 0.983 86 E CA 1.025 57.417 56.400 -0.014 0.000 0.818 86 E CB -0.208 29.468 29.700 -0.040 0.000 0.758 86 E HN 0.244 nan 8.360 nan 0.000 0.467 87 G N 1.282 110.096 108.800 0.024 0.000 2.418 87 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 87 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 87 G C 1.555 176.540 174.900 0.142 0.000 1.158 87 G CA 0.896 46.036 45.100 0.066 0.000 0.771 87 G HN 0.254 nan 8.290 nan 0.000 0.545 88 I N 0.432 121.098 120.570 0.161 0.000 2.163 88 I HA -0.155 4.015 4.170 -0.000 0.000 0.243 88 I C 2.813 179.040 176.117 0.184 0.000 1.085 88 I CA 1.134 62.571 61.300 0.229 0.000 1.347 88 I CB -0.170 37.892 38.000 0.103 0.000 1.044 88 I HN 0.143 nan 8.210 nan 0.000 0.408 89 E N 0.799 121.052 120.200 0.089 0.000 2.051 89 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 89 E C 2.382 179.038 176.600 0.094 0.000 0.991 89 E CA 1.267 57.708 56.400 0.067 0.000 0.799 89 E CB -0.341 29.372 29.700 0.022 0.000 0.748 89 E HN 0.503 nan 8.360 nan 0.000 0.449 90 L N 0.561 121.836 121.223 0.087 0.000 2.042 90 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 90 L C 2.656 179.609 176.870 0.139 0.000 1.076 90 L CA 0.874 55.763 54.840 0.082 0.000 0.749 90 L CB -0.498 41.599 42.059 0.062 0.000 0.893 90 L HN 0.105 nan 8.230 nan 0.000 0.432 91 L N -0.553 120.794 121.223 0.206 0.000 2.046 91 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 91 L C 2.433 179.496 176.870 0.323 0.000 1.077 91 L CA 1.349 56.366 54.840 0.296 0.000 0.747 91 L CB -0.333 41.856 42.059 0.217 0.000 0.896 91 L HN 0.198 nan 8.230 nan 0.000 0.432 92 I N -0.801 119.925 120.570 0.260 0.000 2.286 92 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 92 I C 2.766 178.970 176.117 0.145 0.000 1.104 92 I CA 0.975 62.406 61.300 0.218 0.000 1.397 92 I CB -0.309 37.804 38.000 0.188 0.000 1.072 92 I HN 0.205 nan 8.210 nan 0.000 0.417 93 R N 1.221 121.781 120.500 0.100 0.000 2.120 93 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 93 R C 2.168 178.459 176.300 -0.014 0.000 1.123 93 R CA 1.620 57.743 56.100 0.038 0.000 0.975 93 R CB -0.101 30.213 30.300 0.023 0.000 0.866 93 R HN 0.384 nan 8.270 nan 0.000 0.446 94 A N -0.905 121.891 122.820 -0.040 0.000 1.997 94 A HA 0.091 4.410 4.320 -0.000 0.000 0.212 94 A C 1.368 178.681 177.584 -0.452 0.000 1.178 94 A CA 0.422 52.289 52.037 -0.283 0.000 0.698 94 A CB 0.037 18.781 19.000 -0.427 0.000 0.842 94 A HN 0.348 nan 8.150 nan 0.000 0.458 95 F N -1.260 118.706 119.950 0.026 0.000 2.724 95 F HA 0.225 4.752 4.527 -0.000 0.000 0.306 95 F C 0.370 176.187 175.800 0.028 0.000 1.100 95 F CA -0.456 57.558 58.000 0.023 0.000 1.255 95 F CB 0.376 39.386 39.000 0.017 0.000 1.072 95 F HN -0.022 nan 8.300 nan 0.000 0.589 96 C N 1.413 120.822 119.300 0.181 0.000 2.251 96 C HA 0.446 4.906 4.460 -0.000 0.000 0.323 96 C C 0.321 175.358 174.990 0.078 0.000 1.241 96 C CA -0.971 58.125 59.018 0.130 0.000 1.601 96 C CB -0.203 27.620 27.740 0.137 0.000 2.251 96 C HN 0.137 nan 8.230 nan 0.000 0.488 97 E N 4.578 124.816 120.200 0.063 0.000 2.217 97 E HA 0.255 4.605 4.350 -0.000 0.000 0.279 97 E C -2.392 174.233 176.600 0.041 0.000 1.068 97 E CA -1.775 54.650 56.400 0.040 0.000 0.882 97 E CB 0.421 30.141 29.700 0.033 0.000 1.039 97 E HN 0.394 nan 8.360 nan 0.000 0.418 98 P HA 0.073 nan 4.420 nan 0.000 0.262 98 P C 0.421 177.739 177.300 0.030 0.000 1.182 98 P CA 1.157 64.277 63.100 0.034 0.000 0.761 98 P CB 0.747 32.462 31.700 0.026 0.000 0.795 99 G N 2.423 111.242 108.800 0.033 0.000 2.179 99 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 99 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 99 G C 0.861 175.778 174.900 0.028 0.000 0.977 99 G CA 0.771 45.888 45.100 0.028 0.000 0.641 99 G HN 0.623 nan 8.290 nan 0.000 0.533 100 K N -0.575 119.845 120.400 0.033 0.000 2.494 100 K HA 0.142 4.462 4.320 -0.000 0.000 0.201 100 K C -0.222 176.402 176.600 0.040 0.000 1.338 100 K CA 0.339 56.645 56.287 0.032 0.000 0.935 100 K CB 0.518 33.036 32.500 0.030 0.000 1.514 100 K HN 0.225 nan 8.250 nan 0.000 0.490 101 D N 0.575 121.005 120.400 0.050 0.000 2.388 101 D HA 0.465 5.105 4.640 -0.000 0.000 0.254 101 D C -0.706 175.636 176.300 0.069 0.000 1.111 101 D CA -0.192 53.844 54.000 0.060 0.000 0.993 101 D CB 1.837 42.682 40.800 0.074 0.000 1.118 101 D HN 0.358 nan 8.370 nan 0.000 0.502 102 A N 0.118 122.982 122.820 0.075 0.000 2.532 102 A HA 0.750 5.070 4.320 -0.000 0.000 0.290 102 A C -0.562 177.089 177.584 0.112 0.000 1.143 102 A CA -0.754 51.336 52.037 0.090 0.000 0.728 102 A CB 1.119 20.162 19.000 0.072 0.000 1.317 102 A HN 0.574 nan 8.150 nan 0.000 0.414 103 I N -1.578 119.086 120.570 0.157 0.000 2.982 103 I HA 0.889 5.059 4.170 -0.000 0.000 0.312 103 I C -0.976 175.268 176.117 0.212 0.000 1.041 103 I CA -1.107 60.320 61.300 0.212 0.000 1.053 103 I CB 1.867 40.074 38.000 0.345 0.000 1.248 103 I HN 0.659 nan 8.210 nan 0.000 0.471 104 L N 3.883 125.241 121.223 0.225 0.000 2.436 104 L HA 0.631 4.971 4.340 -0.000 0.000 0.268 104 L C -1.601 175.427 176.870 0.263 0.000 0.974 104 L CA -0.453 54.480 54.840 0.156 0.000 0.826 104 L CB 1.948 44.039 42.059 0.054 0.000 1.291 104 L HN 0.841 nan 8.230 nan 0.000 0.406 105 Y N 1.763 122.122 120.300 0.097 0.000 2.644 105 Y HA 0.765 5.315 4.550 0.000 0.000 0.338 105 Y C -1.241 174.713 175.900 0.091 0.000 1.119 105 Y CA -1.740 56.423 58.100 0.105 0.000 1.060 105 Y CB 1.306 39.871 38.460 0.176 0.000 1.294 105 Y HN 0.407 nan 8.280 nan 0.000 0.472 106 C N 2.583 122.006 119.300 0.205 0.000 2.437 106 C HA 0.522 4.982 4.460 -0.000 0.000 0.307 106 C C -2.628 172.466 174.990 0.173 0.000 1.093 106 C CA -1.483 57.590 59.018 0.092 0.000 1.463 106 C CB 0.085 27.868 27.740 0.071 0.000 1.926 106 C HN 0.533 nan 8.230 nan 0.000 0.420 107 P HA 0.195 nan 4.420 nan 0.000 0.269 107 P C -2.457 174.924 177.300 0.134 0.000 1.215 107 P CA -0.675 62.523 63.100 0.163 0.000 0.780 107 P CB 0.181 31.956 31.700 0.125 0.000 0.898 108 P HA 0.188 nan 4.420 nan 0.000 0.286 108 P C -0.605 176.716 177.300 0.034 0.000 1.269 108 P CA 0.204 63.330 63.100 0.043 0.000 0.787 108 P CB 1.138 32.809 31.700 -0.049 0.000 0.920 109 T N 1.626 116.242 114.554 0.103 0.000 2.648 109 T HA 0.220 4.570 4.350 -0.000 0.000 0.304 109 T C -1.342 173.422 174.700 0.106 0.000 1.312 109 T CA -0.638 61.548 62.100 0.144 0.000 1.023 109 T CB 0.132 69.183 68.868 0.305 0.000 1.612 109 T HN 0.270 nan 8.240 nan 0.000 0.487 110 Y N 0.928 121.178 120.300 -0.083 0.000 2.810 110 Y HA 0.385 4.935 4.550 -0.000 0.000 0.332 110 Y C 1.063 176.640 175.900 -0.538 0.000 1.243 110 Y CA 0.312 58.208 58.100 -0.340 0.000 1.537 110 Y CB 0.186 38.327 38.460 -0.531 0.000 1.265 110 Y HN 0.729 nan 8.280 nan 0.000 0.572 114 S N 0.794 116.160 115.700 -0.556 0.000 2.368 114 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 114 S C 1.801 176.293 174.600 -0.180 0.000 1.029 114 S CA 1.717 59.724 58.200 -0.323 0.000 0.988 114 S CB -0.456 62.572 63.200 -0.287 0.000 0.838 114 S HN 0.219 nan 8.310 nan 0.000 0.462 115 V N 1.341 121.105 119.914 -0.249 0.000 2.343 115 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 115 V C 2.684 178.699 176.094 -0.131 0.000 1.051 115 V CA 2.181 64.380 62.300 -0.168 0.000 1.036 115 V CB -1.034 30.660 31.823 -0.215 0.000 0.654 115 V HN 0.469 nan 8.190 nan 0.000 0.451 116 S N -0.002 115.596 115.700 -0.169 0.000 2.356 116 S HA -0.149 4.321 4.470 -0.000 0.000 0.223 116 S C 2.233 176.811 174.600 -0.037 0.000 1.032 116 S CA 1.430 59.572 58.200 -0.097 0.000 1.005 116 S CB -0.500 62.639 63.200 -0.102 0.000 0.867 116 S HN 0.649 nan 8.310 nan 0.000 0.449 117 A N 1.318 124.123 122.820 -0.026 0.000 1.877 117 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 117 A C 2.033 179.634 177.584 0.029 0.000 1.186 117 A CA 1.758 53.815 52.037 0.034 0.000 0.620 117 A CB -0.671 18.375 19.000 0.077 0.000 0.822 117 A HN 0.583 nan 8.150 nan 0.000 0.443 118 E N -0.908 119.300 120.200 0.013 0.000 2.110 118 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 118 E C 1.917 178.523 176.600 0.010 0.000 0.988 118 E CA 1.596 58.007 56.400 0.018 0.000 0.804 118 E CB -0.083 29.625 29.700 0.013 0.000 0.745 118 E HN 0.595 nan 8.360 nan 0.000 0.458 119 T N 0.890 115.442 114.554 -0.003 0.000 2.812 119 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 119 T C 1.872 176.575 174.700 0.005 0.000 1.042 119 T CA 0.955 63.053 62.100 -0.003 0.000 1.140 119 T CB -0.076 68.783 68.868 -0.014 0.000 0.870 119 T HN 0.174 nan 8.240 nan 0.000 0.445 120 I N 0.502 121.078 120.570 0.010 0.000 2.353 120 I HA 0.065 4.235 4.170 -0.000 0.000 0.248 120 I C 1.744 177.875 176.117 0.023 0.000 1.119 120 I CA 0.985 62.296 61.300 0.018 0.000 1.417 120 I CB -0.261 37.756 38.000 0.029 0.000 1.078 120 I HN 0.485 nan 8.210 nan 0.000 0.421 121 G N 1.192 110.008 108.800 0.027 0.000 2.327 121 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.159 121 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.159 121 G C -0.357 174.567 174.900 0.040 0.000 1.056 121 G CA -0.476 44.642 45.100 0.030 0.000 0.751 121 G HN 0.082 nan 8.290 nan 0.000 0.488 122 V N 0.512 120.457 119.914 0.052 0.000 2.555 122 V HA 0.505 4.624 4.120 -0.000 0.000 0.302 122 V C 0.798 176.938 176.094 0.077 0.000 1.038 122 V CA -0.921 61.420 62.300 0.067 0.000 0.887 122 V CB 1.943 33.818 31.823 0.086 0.000 0.991 122 V HN 0.490 nan 8.190 nan 0.000 0.434 123 E N 2.415 122.659 120.200 0.074 0.000 2.442 123 E HA 0.016 4.366 4.350 -0.000 0.000 0.262 123 E C -1.054 175.612 176.600 0.110 0.000 1.004 123 E CA -0.130 56.316 56.400 0.076 0.000 0.928 123 E CB 0.591 30.327 29.700 0.060 0.000 0.937 123 E HN 0.749 nan 8.360 nan 0.000 0.446 124 C N 5.018 124.390 119.300 0.120 0.000 2.251 124 C HA 0.410 4.870 4.460 -0.000 0.000 0.323 124 C C 0.154 175.194 174.990 0.084 0.000 1.241 124 C CA -0.618 58.514 59.018 0.190 0.000 1.601 124 C CB -0.061 27.848 27.740 0.281 0.000 2.251 124 C HN 0.664 nan 8.230 nan 0.000 0.488 125 R N 2.261 122.788 120.500 0.045 0.000 2.346 125 R HA 0.621 4.961 4.340 -0.000 0.000 0.311 125 R C 0.053 176.224 176.300 -0.214 0.000 0.983 125 R CA 0.183 56.254 56.100 -0.049 0.000 0.880 125 R CB 0.943 31.236 30.300 -0.011 0.000 1.100 125 R HN 0.828 nan 8.270 nan 0.000 0.453 126 T N -0.097 114.305 114.554 -0.253 0.000 2.863 126 T HA 0.598 4.947 4.350 -0.000 0.000 0.285 126 T C -0.809 173.776 174.700 -0.191 0.000 1.009 126 T CA -0.795 61.075 62.100 -0.383 0.000 0.989 126 T CB 1.717 70.319 68.868 -0.443 0.000 1.004 126 T HN 0.199 nan 8.240 nan 0.000 0.455 127 V N 3.951 123.769 119.914 -0.161 0.000 2.443 127 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 127 V C -2.561 173.505 176.094 -0.046 0.000 1.002 127 V CA -1.866 60.388 62.300 -0.077 0.000 0.840 127 V CB 1.104 32.896 31.823 -0.051 0.000 1.042 127 V HN 0.781 nan 8.190 nan 0.000 0.446 128 P HA 0.080 nan 4.420 nan 0.000 0.265 128 P C 0.600 177.924 177.300 0.041 0.000 1.187 128 P CA 0.454 63.566 63.100 0.020 0.000 0.766 128 P CB 0.329 32.044 31.700 0.024 0.000 0.820 129 T N 0.797 115.406 114.554 0.092 0.000 2.766 129 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 129 T C 0.748 175.485 174.700 0.063 0.000 1.024 129 T CA -0.724 61.434 62.100 0.097 0.000 1.018 129 T CB 0.128 69.108 68.868 0.187 0.000 1.002 129 T HN 0.099 nan 8.240 nan 0.000 0.532 130 L N 0.594 121.827 121.223 0.018 0.000 2.464 130 L HA 0.169 4.509 4.340 -0.000 0.000 0.224 130 L C 1.837 178.622 176.870 -0.141 0.000 1.219 130 L CA -0.680 54.133 54.840 -0.045 0.000 0.831 130 L CB 0.021 42.050 42.059 -0.050 0.000 1.284 130 L HN 0.671 nan 8.230 nan 0.000 0.522 131 D N 0.351 120.637 120.400 -0.189 0.000 2.149 131 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 131 D C 1.281 177.196 176.300 -0.642 0.000 0.990 131 D CA 1.507 55.309 54.000 -0.329 0.000 0.839 131 D CB -0.343 40.325 40.800 -0.220 0.000 0.948 131 D HN 0.575 nan 8.370 nan 0.000 0.460 132 N N -0.464 117.964 118.700 -0.453 0.000 2.313 132 N HA -0.129 4.611 4.740 -0.000 0.000 0.207 132 N C -0.048 175.307 175.510 -0.258 0.000 1.141 132 N CA -0.109 52.655 53.050 -0.476 0.000 0.830 132 N CB -0.512 37.866 38.487 -0.183 0.000 1.008 132 N HN 0.213 nan 8.380 nan 0.000 0.481 133 W N -0.486 120.797 121.300 -0.027 0.000 3.160 133 W HA -0.205 4.455 4.660 0.000 0.000 0.299 133 W C -0.506 176.003 176.519 -0.017 0.000 1.141 133 W CA -0.054 57.275 57.345 -0.027 0.000 0.612 133 W CB -2.407 27.029 29.460 -0.040 0.000 2.186 133 W HN 0.242 nan 8.180 nan 0.000 1.364 134 Q N 0.392 120.257 119.800 0.108 0.000 2.256 134 Q HA 0.493 4.833 4.340 -0.000 0.000 0.232 134 Q C 0.892 176.906 176.000 0.023 0.000 0.965 134 Q CA -0.604 55.232 55.803 0.055 0.000 0.908 134 Q CB 0.633 29.384 28.738 0.023 0.000 1.209 134 Q HN 0.131 nan 8.270 nan 0.000 0.489 135 L N 1.404 122.612 121.223 -0.025 0.000 2.453 135 L HA 0.001 4.340 4.340 -0.000 0.000 0.272 135 L C 0.634 177.488 176.870 -0.027 0.000 1.182 135 L CA -0.160 54.654 54.840 -0.043 0.000 0.858 135 L CB 0.093 42.086 42.059 -0.111 0.000 1.120 135 L HN 0.494 nan 8.230 nan 0.000 0.474 136 D N 3.555 123.944 120.400 -0.019 0.000 2.517 136 D HA 0.139 4.779 4.640 -0.000 0.000 0.220 136 D C 1.054 177.342 176.300 -0.020 0.000 1.158 136 D CA -0.051 53.939 54.000 -0.017 0.000 0.992 136 D CB 0.461 41.254 40.800 -0.012 0.000 1.058 136 D HN 0.412 nan 8.370 nan 0.000 0.516 137 L N 1.741 122.951 121.223 -0.022 0.000 2.042 137 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 137 L C 2.456 179.320 176.870 -0.010 0.000 1.076 137 L CA 1.160 55.989 54.840 -0.018 0.000 0.749 137 L CB -0.311 41.741 42.059 -0.013 0.000 0.893 137 L HN 0.437 nan 8.230 nan 0.000 0.432 138 Q N 0.060 119.855 119.800 -0.008 0.000 2.084 138 Q HA -0.162 4.177 4.340 -0.000 0.000 0.202 138 Q C 2.190 178.186 176.000 -0.008 0.000 0.978 138 Q CA 1.694 57.493 55.803 -0.006 0.000 0.844 138 Q CB -0.224 28.511 28.738 -0.005 0.000 0.898 138 Q HN 0.497 nan 8.270 nan 0.000 0.426 139 G N 1.008 109.801 108.800 -0.011 0.000 2.418 139 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 139 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 139 G C 1.394 176.285 174.900 -0.015 0.000 1.158 139 G CA 0.890 45.982 45.100 -0.013 0.000 0.771 139 G HN 0.373 nan 8.290 nan 0.000 0.545 140 I N 1.774 122.335 120.570 -0.016 0.000 2.226 140 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 140 I C 3.181 179.294 176.117 -0.008 0.000 1.100 140 I CA 1.480 62.771 61.300 -0.015 0.000 1.374 140 I CB -0.255 37.735 38.000 -0.018 0.000 1.057 140 I HN 0.350 nan 8.210 nan 0.000 0.413 141 S N 0.021 115.718 115.700 -0.005 0.000 2.419 141 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 141 S C 1.379 175.979 174.600 -0.000 0.000 1.019 141 S CA 1.462 59.662 58.200 0.000 0.000 0.982 141 S CB -0.355 62.846 63.200 0.003 0.000 0.789 141 S HN 0.419 nan 8.310 nan 0.000 0.490 142 D N 0.970 121.368 120.400 -0.003 0.000 2.340 142 D HA 0.208 4.847 4.640 -0.000 0.000 0.217 142 D C 0.443 176.741 176.300 -0.004 0.000 1.081 142 D CA 0.284 54.282 54.000 -0.003 0.000 0.842 142 D CB 0.269 41.067 40.800 -0.004 0.000 0.934 142 D HN 0.545 nan 8.370 nan 0.000 0.511 143 K N 0.377 120.774 120.400 -0.005 0.000 2.792 143 K HA 0.288 4.608 4.320 -0.000 0.000 0.207 143 K C 1.066 177.665 176.600 -0.002 0.000 1.103 143 K CA -0.031 56.252 56.287 -0.006 0.000 1.048 143 K CB 1.103 33.594 32.500 -0.014 0.000 0.777 143 K HN -0.060 nan 8.250 nan 0.000 0.468 144 L N 0.513 121.737 121.223 0.001 0.000 2.567 144 L HA 0.100 4.440 4.340 -0.000 0.000 0.225 144 L C -0.165 176.709 176.870 0.008 0.000 1.119 144 L CA 0.244 55.087 54.840 0.004 0.000 0.871 144 L CB 0.159 42.220 42.059 0.003 0.000 1.036 144 L HN 0.148 nan 8.230 nan 0.000 0.459 145 D N 0.638 121.043 120.400 0.007 0.000 2.412 145 D HA 0.295 4.935 4.640 -0.000 0.000 0.257 145 D C 1.111 177.420 176.300 0.016 0.000 1.217 145 D CA 1.423 55.429 54.000 0.010 0.000 0.897 145 D CB 0.653 41.458 40.800 0.008 0.000 1.132 145 D HN 0.274 nan 8.370 nan 0.000 0.493 146 G N 1.742 110.554 108.800 0.019 0.000 2.195 146 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 146 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 146 G C 0.400 175.321 174.900 0.035 0.000 0.984 146 G CA -0.040 45.076 45.100 0.027 0.000 0.633 146 G HN 0.529 nan 8.290 nan 0.000 0.525 147 V N 1.561 121.493 119.914 0.030 0.000 2.555 147 V HA 0.424 4.543 4.120 -0.000 0.000 0.286 147 V C 1.231 177.342 176.094 0.028 0.000 1.044 147 V CA 0.361 62.681 62.300 0.034 0.000 1.026 147 V CB 1.608 33.446 31.823 0.025 0.000 0.981 147 V HN 0.212 nan 8.190 nan 0.000 0.480 148 K N 2.925 123.348 120.400 0.039 0.000 2.399 148 K HA 0.314 4.634 4.320 -0.000 0.000 0.196 148 K C -0.364 176.211 176.600 -0.041 0.000 1.103 148 K CA 0.521 56.827 56.287 0.031 0.000 0.986 148 K CB 1.404 33.966 32.500 0.104 0.000 0.952 148 K HN 0.471 nan 8.250 nan 0.000 0.541 149 V N 1.664 121.554 119.914 -0.039 0.000 2.733 149 V HA 0.338 4.458 4.120 -0.000 0.000 0.306 149 V C -0.768 175.229 176.094 -0.161 0.000 1.084 149 V CA -0.989 61.209 62.300 -0.170 0.000 0.905 149 V CB 2.472 34.182 31.823 -0.188 0.000 1.010 149 V HN -0.275 nan 8.190 nan 0.000 0.424 150 V N 4.819 124.584 119.914 -0.248 0.000 2.448 150 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 150 V C -1.182 174.737 176.094 -0.292 0.000 1.025 150 V CA -0.721 61.493 62.300 -0.143 0.000 0.859 150 V CB 1.622 33.409 31.823 -0.061 0.000 0.988 150 V HN 0.756 nan 8.190 nan 0.000 0.431 151 Y N 3.268 123.486 120.300 -0.136 0.000 2.331 151 Y HA 0.680 5.230 4.550 -0.000 0.000 0.338 151 Y C 0.022 175.800 175.900 -0.204 0.000 0.992 151 Y CA -0.777 57.127 58.100 -0.327 0.000 1.121 151 Y CB 2.010 39.898 38.460 -0.952 0.000 1.184 151 Y HN 0.353 nan 8.280 nan 0.000 0.469 152 V N 3.204 123.152 119.914 0.056 0.000 2.524 152 V HA 0.197 4.317 4.120 -0.000 0.000 0.297 152 V C -0.769 175.467 176.094 0.238 0.000 1.035 152 V CA -1.065 61.313 62.300 0.130 0.000 0.867 152 V CB 1.700 33.564 31.823 0.069 0.000 1.004 152 V HN 0.927 nan 8.190 nan 0.000 0.426 153 C N 4.581 124.041 119.300 0.267 0.000 2.394 153 C HA 0.728 5.188 4.460 -0.000 0.000 0.362 153 C C 0.595 175.749 174.990 0.273 0.000 1.268 153 C CA 0.214 59.419 59.018 0.313 0.000 1.828 153 C CB -0.216 27.749 27.740 0.376 0.000 2.442 153 C HN 0.953 nan 8.230 nan 0.000 0.549 154 S N 7.949 123.819 115.700 0.283 0.000 2.750 154 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 154 S C -2.792 171.938 174.600 0.217 0.000 1.165 154 S CA -0.759 57.598 58.200 0.263 0.000 1.047 154 S CB 1.580 65.013 63.200 0.389 0.000 1.056 154 S HN 0.754 nan 8.310 nan 0.000 0.481 155 P HA 0.077 nan 4.420 nan 0.000 0.269 155 P C -0.588 176.842 177.300 0.217 0.000 1.209 155 P CA -0.310 62.903 63.100 0.188 0.000 0.776 155 P CB 0.405 32.186 31.700 0.136 0.000 0.876 156 N N 2.353 121.150 118.700 0.162 0.000 2.530 156 N HA 0.017 4.757 4.740 -0.000 0.000 0.273 156 N C -0.411 175.181 175.510 0.136 0.000 1.173 156 N CA -0.235 52.905 53.050 0.149 0.000 0.967 156 N CB 0.275 38.810 38.487 0.080 0.000 1.109 156 N HN 0.331 nan 8.380 nan 0.000 0.453 157 N N 2.988 121.750 118.700 0.104 0.000 2.392 157 N HA 0.336 5.076 4.740 -0.000 0.000 0.283 157 N C -2.170 173.287 175.510 -0.087 0.000 1.003 157 N CA -2.152 50.852 53.050 -0.076 0.000 0.892 157 N CB 1.841 40.266 38.487 -0.104 0.000 1.193 157 N HN 0.379 nan 8.380 nan 0.000 0.487 158 P HA 0.086 nan 4.420 nan 0.000 0.261 158 P C 0.614 177.796 177.300 -0.196 0.000 1.268 158 P CA 0.383 63.307 63.100 -0.293 0.000 0.833 158 P CB 0.178 31.721 31.700 -0.262 0.000 1.231 159 T N -4.175 110.175 114.554 -0.340 0.000 2.951 159 T HA 0.126 4.476 4.350 -0.000 0.000 0.268 159 T C 1.789 176.393 174.700 -0.160 0.000 1.073 159 T CA 1.420 63.181 62.100 -0.565 0.000 1.134 159 T CB -1.107 67.025 68.868 -1.226 0.000 0.884 159 T HN 0.208 nan 8.240 nan 0.000 0.479 160 G N 1.163 109.975 108.800 0.020 0.000 2.217 160 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.246 160 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.246 160 G C 0.115 175.002 174.900 -0.021 0.000 0.990 160 G CA 0.254 45.324 45.100 -0.049 0.000 0.627 160 G HN 0.999 nan 8.290 nan 0.000 0.522 161 Q N 1.283 121.122 119.800 0.066 0.000 2.212 161 Q HA 0.707 5.047 4.340 -0.000 0.000 0.238 161 Q C 0.078 176.149 176.000 0.118 0.000 0.955 161 Q CA -0.780 55.091 55.803 0.114 0.000 0.906 161 Q CB 1.166 30.021 28.738 0.195 0.000 1.215 161 Q HN 0.472 nan 8.270 nan 0.000 0.478 162 L N 1.467 122.762 121.223 0.120 0.000 2.375 162 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 162 L C 0.348 177.301 176.870 0.140 0.000 1.107 162 L CA -0.825 54.096 54.840 0.135 0.000 0.806 162 L CB 0.757 42.890 42.059 0.123 0.000 1.146 162 L HN 0.559 nan 8.230 nan 0.000 0.447 163 I N 2.597 123.262 120.570 0.159 0.000 2.441 163 I HA 0.035 4.205 4.170 -0.000 0.000 0.287 163 I C 0.445 176.645 176.117 0.139 0.000 1.049 163 I CA -0.224 61.131 61.300 0.092 0.000 1.381 163 I CB 0.816 38.782 38.000 -0.057 0.000 1.409 163 I HN 0.589 nan 8.210 nan 0.000 0.523 164 N N 10.091 128.847 118.700 0.094 0.000 2.411 164 N HA -0.005 4.734 4.740 -0.000 0.000 0.265 164 N C -1.510 174.127 175.510 0.211 0.000 1.266 164 N CA -1.111 52.016 53.050 0.129 0.000 0.889 164 N CB 0.900 39.439 38.487 0.087 0.000 1.069 164 N HN 0.336 nan 8.380 nan 0.000 0.476 165 P HA -0.179 nan 4.420 nan 0.000 0.218 165 P C 0.740 178.301 177.300 0.435 0.000 1.148 165 P CA 1.339 64.712 63.100 0.455 0.000 0.822 165 P CB 0.350 32.327 31.700 0.462 0.000 0.784 166 Q N -0.354 119.601 119.800 0.259 0.000 2.181 166 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 166 Q C 1.542 177.637 176.000 0.158 0.000 0.980 166 Q CA 1.367 57.278 55.803 0.179 0.000 0.862 166 Q CB -0.362 28.444 28.738 0.113 0.000 0.905 166 Q HN 0.322 nan 8.270 nan 0.000 0.429 167 D N -0.579 119.901 120.400 0.133 0.000 2.249 167 D HA -0.047 4.592 4.640 -0.000 0.000 0.205 167 D C 1.260 177.593 176.300 0.055 0.000 0.962 167 D CA 0.576 54.607 54.000 0.052 0.000 0.860 167 D CB -0.118 40.666 40.800 -0.027 0.000 0.955 167 D HN 0.176 nan 8.370 nan 0.000 0.505 168 F N 1.230 121.242 119.950 0.104 0.000 2.186 168 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 168 F C 2.362 178.220 175.800 0.096 0.000 1.090 168 F CA 0.585 58.632 58.000 0.078 0.000 1.307 168 F CB 0.304 39.340 39.000 0.059 0.000 1.019 168 F HN -0.186 nan 8.300 nan 0.000 0.489 169 R N -0.168 120.549 120.500 0.363 0.000 2.083 169 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 169 R C 2.048 178.428 176.300 0.133 0.000 1.137 169 R CA 1.922 58.138 56.100 0.194 0.000 0.951 169 R CB -1.619 28.764 30.300 0.139 0.000 0.851 169 R HN 0.224 nan 8.270 nan 0.000 0.434 170 T N 2.240 116.862 114.554 0.114 0.000 2.708 170 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 170 T C 1.867 176.609 174.700 0.071 0.000 1.037 170 T CA 1.102 63.249 62.100 0.079 0.000 1.146 170 T CB -0.302 68.597 68.868 0.051 0.000 0.865 170 T HN 0.085 nan 8.240 nan 0.000 0.435 171 L N 0.942 122.200 121.223 0.058 0.000 2.083 171 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 171 L C 2.094 179.016 176.870 0.087 0.000 1.083 171 L CA 1.548 56.415 54.840 0.046 0.000 0.752 171 L CB -0.712 41.350 42.059 0.004 0.000 0.899 171 L HN 0.242 nan 8.230 nan 0.000 0.433 172 L N -0.756 120.512 121.223 0.074 0.000 2.141 172 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 172 L C 2.542 179.587 176.870 0.292 0.000 1.094 172 L CA 1.216 56.100 54.840 0.073 0.000 0.763 172 L CB -0.444 41.354 42.059 -0.435 0.000 0.908 172 L HN 0.322 nan 8.230 nan 0.000 0.437 173 E N 0.609 120.929 120.200 0.199 0.000 2.072 173 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 173 E C 2.179 178.846 176.600 0.111 0.000 0.982 173 E CA 1.152 57.660 56.400 0.180 0.000 0.803 173 E CB -0.218 29.563 29.700 0.135 0.000 0.755 173 E HN 0.343 nan 8.360 nan 0.000 0.453 174 L N 0.302 121.578 121.223 0.087 0.000 2.127 174 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 174 L C 2.223 179.114 176.870 0.036 0.000 1.089 174 L CA 1.815 56.684 54.840 0.050 0.000 0.757 174 L CB -0.632 41.449 42.059 0.038 0.000 0.899 174 L HN 0.317 nan 8.230 nan 0.000 0.434 175 T N -3.787 110.808 114.554 0.068 0.000 3.086 175 T HA 0.003 4.353 4.350 -0.000 0.000 0.250 175 T C 1.017 175.617 174.700 -0.167 0.000 1.074 175 T CA -0.428 61.687 62.100 0.025 0.000 0.988 175 T CB -0.126 68.817 68.868 0.125 0.000 0.988 175 T HN 0.114 nan 8.240 nan 0.000 0.530 176 R N 1.401 121.779 120.500 -0.204 0.000 2.486 176 R HA 0.295 4.635 4.340 -0.000 0.000 0.303 176 R C 1.368 177.495 176.300 -0.288 0.000 0.958 176 R CA 1.237 57.062 56.100 -0.459 0.000 1.077 176 R CB -0.582 29.645 30.300 -0.121 0.000 0.921 176 R HN 0.545 nan 8.270 nan 0.000 0.406 177 G N 3.486 112.089 108.800 -0.329 0.000 2.153 177 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.252 177 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.252 177 G C 0.390 175.229 174.900 -0.101 0.000 0.994 177 G CA 0.890 45.900 45.100 -0.151 0.000 0.698 177 G HN 0.720 nan 8.290 nan 0.000 0.521 178 K N -1.183 119.143 120.400 -0.123 0.000 2.567 178 K HA 0.624 4.944 4.320 -0.000 0.000 0.199 178 K C 0.715 177.286 176.600 -0.048 0.000 1.412 178 K CA 0.685 56.936 56.287 -0.060 0.000 1.020 178 K CB 1.036 33.510 32.500 -0.044 0.000 1.487 178 K HN 0.921 nan 8.250 nan 0.000 0.531 179 A N 0.982 123.763 122.820 -0.066 0.000 2.606 179 A HA 0.561 4.881 4.320 -0.000 0.000 0.293 179 A C -1.479 176.069 177.584 -0.059 0.000 1.082 179 A CA -0.746 51.252 52.037 -0.065 0.000 0.685 179 A CB 1.099 20.075 19.000 -0.040 0.000 1.284 179 A HN 0.008 nan 8.150 nan 0.000 0.408 180 I N 1.524 121.973 120.570 -0.202 0.000 2.441 180 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 180 I C -0.092 175.906 176.117 -0.199 0.000 1.049 180 I CA -0.253 60.895 61.300 -0.253 0.000 1.381 180 I CB 0.964 38.615 38.000 -0.581 0.000 1.409 180 I HN 0.274 nan 8.210 nan 0.000 0.523 181 V N 7.541 127.367 119.914 -0.147 0.000 2.370 181 V HA 0.288 4.408 4.120 -0.000 0.000 0.279 181 V C 0.131 176.106 176.094 -0.199 0.000 1.029 181 V CA -0.603 61.608 62.300 -0.147 0.000 0.870 181 V CB 1.885 33.651 31.823 -0.095 0.000 0.984 181 V HN 0.427 nan 8.190 nan 0.000 0.451 182 V N 4.904 124.671 119.914 -0.244 0.000 2.334 182 V HA 0.601 4.721 4.120 -0.000 0.000 0.281 182 V C 0.502 176.559 176.094 -0.062 0.000 1.016 182 V CA -0.636 61.537 62.300 -0.211 0.000 0.832 182 V CB 1.466 33.056 31.823 -0.388 0.000 0.999 182 V HN 0.922 nan 8.190 nan 0.000 0.439 183 A N 3.377 126.161 122.820 -0.061 0.000 2.279 183 A HA 0.417 4.737 4.320 -0.000 0.000 0.306 183 A C 0.048 177.660 177.584 0.046 0.000 1.300 183 A CA -0.317 51.711 52.037 -0.015 0.000 0.925 183 A CB 0.118 18.932 19.000 -0.309 0.000 1.152 183 A HN 0.768 nan 8.150 nan 0.000 0.544 184 D N 2.796 123.289 120.400 0.154 0.000 2.352 184 D HA 0.111 4.751 4.640 -0.000 0.000 0.245 184 D C 0.134 176.528 176.300 0.157 0.000 1.224 184 D CA 0.253 54.367 54.000 0.191 0.000 0.879 184 D CB 0.511 41.507 40.800 0.327 0.000 1.057 184 D HN 0.612 nan 8.370 nan 0.000 0.491 185 E N 2.570 122.829 120.200 0.098 0.000 2.511 185 E HA 0.184 4.533 4.350 -0.000 0.000 0.214 185 E C 1.132 177.777 176.600 0.076 0.000 1.062 185 E CA -0.388 56.069 56.400 0.095 0.000 1.213 185 E CB 0.716 30.442 29.700 0.043 0.000 1.214 185 E HN 0.501 nan 8.360 nan 0.000 0.441 186 A N 0.138 122.961 122.820 0.006 0.000 2.024 186 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 186 A C 1.089 178.446 177.584 -0.378 0.000 1.164 186 A CA 1.276 53.169 52.037 -0.240 0.000 0.643 186 A CB -0.341 18.378 19.000 -0.469 0.000 0.806 186 A HN 0.376 nan 8.150 nan 0.000 0.451 187 Y N -2.341 118.097 120.300 0.231 0.000 2.660 187 Y HA 0.318 4.868 4.550 -0.000 0.000 0.254 187 Y C 1.376 177.461 175.900 0.308 0.000 1.176 187 Y CA -0.732 57.584 58.100 0.360 0.000 1.195 187 Y CB 0.035 38.702 38.460 0.346 0.000 1.190 187 Y HN 0.233 nan 8.280 nan 0.000 0.535 188 I N 0.864 121.584 120.570 0.249 0.000 2.567 188 I HA -0.197 3.972 4.170 -0.000 0.000 0.257 188 I C 1.700 177.873 176.117 0.093 0.000 1.184 188 I CA 1.418 62.815 61.300 0.160 0.000 1.451 188 I CB 0.014 38.064 38.000 0.084 0.000 1.089 188 I HN 0.100 nan 8.210 nan 0.000 0.441 189 E N -0.312 119.893 120.200 0.009 0.000 2.209 189 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 189 E C 1.770 178.194 176.600 -0.293 0.000 0.993 189 E CA 1.311 57.601 56.400 -0.184 0.000 0.819 189 E CB -0.328 29.141 29.700 -0.385 0.000 0.745 189 E HN 0.564 nan 8.360 nan 0.000 0.477 190 F N -1.052 118.947 119.950 0.082 0.000 2.780 190 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 190 F C 0.887 176.712 175.800 0.042 0.000 1.146 190 F CA 0.020 58.055 58.000 0.058 0.000 1.428 190 F CB 0.244 39.282 39.000 0.064 0.000 1.115 190 F HN 0.044 nan 8.300 nan 0.000 0.583 191 C N -2.550 116.847 119.300 0.162 0.000 3.235 191 C HA 0.292 4.752 4.460 -0.000 0.000 0.198 191 C C -1.219 173.808 174.990 0.061 0.000 1.527 191 C CA -1.837 57.245 59.018 0.107 0.000 1.167 191 C CB -0.584 27.227 27.740 0.119 0.000 1.938 191 C HN 0.022 nan 8.230 nan 0.000 0.593 192 P HA -0.281 nan 4.420 nan 0.000 0.217 192 P C 1.790 179.081 177.300 -0.015 0.000 1.151 192 P CA 2.181 65.277 63.100 -0.006 0.000 0.849 192 P CB 0.183 31.870 31.700 -0.022 0.000 0.787 193 Q N 0.432 120.235 119.800 0.005 0.000 2.364 193 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 193 Q C 1.705 177.714 176.000 0.015 0.000 0.977 193 Q CA 1.896 57.706 55.803 0.012 0.000 0.885 193 Q CB -1.269 27.486 28.738 0.029 0.000 0.941 193 Q HN 0.247 nan 8.270 nan 0.000 0.464 194 A N 0.825 123.650 122.820 0.009 0.000 2.275 194 A HA 0.160 4.480 4.320 -0.000 0.000 0.212 194 A C 1.057 178.580 177.584 -0.102 0.000 1.201 194 A CA 0.247 52.281 52.037 -0.005 0.000 0.843 194 A CB -0.041 18.979 19.000 0.034 0.000 0.873 194 A HN 0.340 nan 8.150 nan 0.000 0.492 195 S N -0.496 115.133 115.700 -0.119 0.000 2.579 195 S HA 0.318 4.788 4.470 -0.000 0.000 0.275 195 S C 0.791 175.145 174.600 -0.409 0.000 1.345 195 S CA -0.314 57.758 58.200 -0.214 0.000 1.031 195 S CB 0.243 63.352 63.200 -0.153 0.000 0.892 195 S HN 0.389 nan 8.310 nan 0.000 0.529 196 L N 3.588 124.453 121.223 -0.597 0.000 2.667 196 L HA 0.227 4.567 4.340 -0.000 0.000 0.232 196 L C 2.324 178.893 176.870 -0.502 0.000 1.138 196 L CA 0.283 54.513 54.840 -1.016 0.000 0.921 196 L CB -0.750 40.564 42.059 -1.242 0.000 1.180 196 L HN 0.839 nan 8.230 nan 0.000 0.487 197 A N 0.907 123.565 122.820 -0.271 0.000 1.986 197 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 197 A C 2.201 179.775 177.584 -0.016 0.000 1.171 197 A CA 1.887 53.852 52.037 -0.121 0.000 0.640 197 A CB -0.789 18.142 19.000 -0.115 0.000 0.811 197 A HN 0.444 nan 8.150 nan 0.000 0.451 198 G N -3.021 105.806 108.800 0.045 0.000 2.848 198 G HA2 0.029 3.989 3.960 -0.000 0.000 0.208 198 G HA3 0.029 3.989 3.960 -0.000 0.000 0.208 198 G C 0.769 175.876 174.900 0.344 0.000 1.152 198 G CA 0.335 45.535 45.100 0.166 0.000 0.789 198 G HN 0.595 nan 8.290 nan 0.000 0.531 199 W N 0.340 121.641 121.300 0.001 0.000 3.290 199 W HA 0.390 5.050 4.660 -0.000 0.000 0.287 199 W C 1.929 178.501 176.519 0.090 0.000 1.288 199 W CA -0.921 56.468 57.345 0.073 0.000 1.725 199 W CB -0.491 29.043 29.460 0.124 0.000 1.103 199 W HN 0.113 nan 8.180 nan 0.000 0.670 200 L N 0.615 121.978 121.223 0.234 0.000 2.043 200 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 200 L C 2.497 179.424 176.870 0.094 0.000 1.075 200 L CA 1.758 56.683 54.840 0.142 0.000 0.752 200 L CB -1.183 40.922 42.059 0.077 0.000 0.891 200 L HN -0.024 nan 8.230 nan 0.000 0.432 201 A N -0.460 122.393 122.820 0.054 0.000 2.125 201 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 201 A C 2.060 179.603 177.584 -0.068 0.000 1.156 201 A CA 1.494 53.530 52.037 -0.001 0.000 0.671 201 A CB -0.308 18.685 19.000 -0.011 0.000 0.794 201 A HN 0.531 nan 8.150 nan 0.000 0.459 202 E N -2.244 117.877 120.200 -0.133 0.000 2.307 202 E HA 0.071 4.421 4.350 -0.000 0.000 0.195 202 E C -0.822 175.407 176.600 -0.618 0.000 0.975 202 E CA 0.242 56.385 56.400 -0.430 0.000 0.878 202 E CB 0.194 29.496 29.700 -0.663 0.000 0.845 202 E HN 0.741 nan 8.360 nan 0.000 0.488 203 Y N -0.254 120.073 120.300 0.044 0.000 2.363 203 Y HA 0.246 4.796 4.550 -0.000 0.000 0.325 203 Y C -2.087 173.839 175.900 0.044 0.000 0.984 203 Y CA -2.469 55.652 58.100 0.036 0.000 1.248 203 Y CB 1.603 40.000 38.460 -0.104 0.000 1.116 203 Y HN -0.050 nan 8.280 nan 0.000 0.470 204 P HA -0.172 nan 4.420 nan 0.000 0.220 204 P C 0.864 178.289 177.300 0.209 0.000 1.148 204 P CA 1.573 64.791 63.100 0.197 0.000 0.803 204 P CB 0.168 31.969 31.700 0.168 0.000 0.782 205 H N -2.116 116.995 119.070 0.068 0.000 2.517 205 H HA 0.251 4.807 4.556 -0.000 0.000 0.282 205 H C 0.220 175.524 175.328 -0.041 0.000 1.023 205 H CA -0.626 55.411 56.048 -0.018 0.000 1.169 205 H CB -0.745 28.995 29.762 -0.037 0.000 1.454 205 H HN 0.091 nan 8.280 nan 0.000 0.556 206 L N 1.895 123.005 121.223 -0.188 0.000 2.292 206 L HA 0.638 4.978 4.340 -0.000 0.000 0.284 206 L C -0.492 176.313 176.870 -0.109 0.000 1.065 206 L CA -0.496 54.226 54.840 -0.197 0.000 0.806 206 L CB 1.032 43.004 42.059 -0.144 0.000 1.175 206 L HN 0.305 nan 8.230 nan 0.000 0.431 207 A N 6.096 128.837 122.820 -0.131 0.000 2.401 207 A HA 0.858 5.178 4.320 -0.000 0.000 0.310 207 A C -1.080 176.452 177.584 -0.086 0.000 1.075 207 A CA -0.554 51.434 52.037 -0.081 0.000 0.746 207 A CB 1.076 20.029 19.000 -0.078 0.000 1.277 207 A HN 0.670 nan 8.150 nan 0.000 0.425 208 I N 1.583 122.128 120.570 -0.041 0.000 2.533 208 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 208 I C -0.965 175.171 176.117 0.032 0.000 1.056 208 I CA -0.384 60.897 61.300 -0.032 0.000 1.057 208 I CB 1.982 39.947 38.000 -0.058 0.000 1.240 208 I HN 0.484 nan 8.210 nan 0.000 0.423 209 L N 6.219 127.476 121.223 0.056 0.000 2.289 209 L HA 0.593 4.932 4.340 -0.000 0.000 0.285 209 L C -0.138 176.781 176.870 0.082 0.000 1.049 209 L CA -0.671 54.220 54.840 0.085 0.000 0.804 209 L CB 0.855 42.989 42.059 0.126 0.000 1.195 209 L HN 0.492 nan 8.230 nan 0.000 0.428 210 R N 1.214 121.770 120.500 0.093 0.000 2.867 210 R HA 0.719 5.059 4.340 -0.000 0.000 0.268 210 R C -0.746 175.612 176.300 0.097 0.000 1.014 210 R CA -0.701 55.474 56.100 0.125 0.000 0.946 210 R CB 2.314 32.737 30.300 0.205 0.000 1.208 210 R HN 0.558 nan 8.270 nan 0.000 0.477 211 T N -0.157 114.460 114.554 0.105 0.000 2.843 211 T HA 0.461 4.811 4.350 -0.000 0.000 0.302 211 T C -0.048 174.709 174.700 0.095 0.000 1.232 211 T CA -0.554 61.575 62.100 0.050 0.000 1.009 211 T CB 1.126 69.975 68.868 -0.033 0.000 1.254 211 T HN 0.408 nan 8.240 nan 0.000 0.504 212 L N 2.046 123.284 121.223 0.026 0.000 2.728 212 L HA 0.247 4.587 4.340 -0.000 0.000 0.238 212 L C 2.044 178.976 176.870 0.104 0.000 1.143 212 L CA -0.040 54.815 54.840 0.024 0.000 0.937 212 L CB 0.249 42.233 42.059 -0.126 0.000 1.225 212 L HN 0.533 nan 8.230 nan 0.000 0.507 213 S N -0.270 115.471 115.700 0.068 0.000 2.461 213 S HA -0.001 4.469 4.470 -0.000 0.000 0.228 213 S C 1.576 176.262 174.600 0.144 0.000 1.005 213 S CA 0.791 59.038 58.200 0.079 0.000 0.942 213 S CB 0.195 63.414 63.200 0.031 0.000 0.776 213 S HN 0.322 nan 8.310 nan 0.000 0.514 214 K N 1.661 122.161 120.400 0.167 0.000 2.786 214 K HA 0.439 4.759 4.320 -0.000 0.000 0.224 214 K C 2.293 179.081 176.600 0.313 0.000 1.089 214 K CA 0.768 57.224 56.287 0.282 0.000 1.162 214 K CB -1.365 31.307 32.500 0.286 0.000 1.585 214 K HN 0.148 nan 8.250 nan 0.000 0.466 215 A N 0.995 123.932 122.820 0.196 0.000 1.940 215 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 215 A C 2.096 179.546 177.584 -0.223 0.000 1.176 215 A CA 1.579 53.532 52.037 -0.141 0.000 0.631 215 A CB -0.940 17.650 19.000 -0.683 0.000 0.814 215 A HN 0.304 nan 8.150 nan 0.000 0.446 216 F N -0.922 118.969 119.950 -0.097 0.000 2.699 216 F HA 0.249 4.776 4.527 -0.000 0.000 0.298 216 F C 1.694 177.442 175.800 -0.086 0.000 1.154 216 F CA 0.772 58.703 58.000 -0.116 0.000 1.457 216 F CB -0.040 38.907 39.000 -0.089 0.000 1.106 216 F HN 0.384 nan 8.300 nan 0.000 0.585 217 A N 0.362 123.253 122.820 0.117 0.000 2.822 217 A HA -0.239 4.081 4.320 -0.000 0.000 0.287 217 A C 0.358 178.042 177.584 0.165 0.000 1.479 217 A CA 0.887 53.013 52.037 0.149 0.000 0.779 217 A CB -2.246 16.732 19.000 -0.036 0.000 1.022 217 A HN 0.439 nan 8.150 nan 0.000 0.532 218 L N -2.046 119.260 121.223 0.137 0.000 3.193 218 L HA 0.422 4.762 4.340 -0.000 0.000 0.305 218 L C 1.773 178.666 176.870 0.040 0.000 1.299 218 L CA 0.218 55.099 54.840 0.068 0.000 0.904 218 L CB 0.241 42.293 42.059 -0.011 0.000 1.331 218 L HN 0.548 nan 8.230 nan 0.000 0.588 219 A N 0.360 123.221 122.820 0.069 0.000 1.978 219 A HA -0.129 4.190 4.320 -0.000 0.000 0.220 219 A C 2.213 179.807 177.584 0.016 0.000 1.170 219 A CA 1.965 54.030 52.037 0.046 0.000 0.636 219 A CB -0.554 18.489 19.000 0.071 0.000 0.810 219 A HN 0.540 nan 8.150 nan 0.000 0.448 220 G N -0.627 108.184 108.800 0.019 0.000 2.509 220 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.218 220 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.218 220 G C 1.337 176.225 174.900 -0.021 0.000 1.124 220 G CA 0.811 45.911 45.100 0.001 0.000 0.776 220 G HN 0.471 nan 8.290 nan 0.000 0.547 221 L N -0.892 120.308 121.223 -0.038 0.000 2.341 221 L HA 0.152 4.492 4.340 -0.000 0.000 0.214 221 L C 0.827 177.649 176.870 -0.080 0.000 1.115 221 L CA -0.214 54.584 54.840 -0.070 0.000 0.820 221 L CB -0.094 41.900 42.059 -0.110 0.000 0.944 221 L HN 0.071 nan 8.230 nan 0.000 0.452 222 R N -0.102 120.357 120.500 -0.069 0.000 3.205 222 R HA -0.195 4.145 4.340 -0.000 0.000 0.249 222 R C -0.690 175.530 176.300 -0.134 0.000 0.937 222 R CA 0.335 56.388 56.100 -0.079 0.000 0.641 222 R CB -2.919 27.345 30.300 -0.061 0.000 1.114 222 R HN 0.346 nan 8.270 nan 0.000 0.451 223 C N -0.044 119.155 119.300 -0.169 0.000 2.364 223 C HA 0.847 5.307 4.460 -0.000 0.000 0.324 223 C C 0.780 175.552 174.990 -0.363 0.000 1.234 223 C CA 0.439 59.281 59.018 -0.293 0.000 1.417 223 C CB 1.133 28.706 27.740 -0.278 0.000 2.101 223 C HN 0.756 nan 8.230 nan 0.000 0.466 224 G N 3.562 112.041 108.800 -0.535 0.000 2.733 224 G HA2 0.885 4.845 3.960 -0.000 0.000 0.288 224 G HA3 0.885 4.845 3.960 -0.000 0.000 0.288 224 G C -1.707 172.672 174.900 -0.869 0.000 1.373 224 G CA -0.435 44.383 45.100 -0.469 0.000 0.895 224 G HN 0.570 nan 8.290 nan 0.000 0.479 225 F N -1.265 118.516 119.950 -0.282 0.000 2.643 225 F HA 0.687 5.214 4.527 -0.000 0.000 0.314 225 F C 0.092 175.805 175.800 -0.146 0.000 1.096 225 F CA -0.783 57.044 58.000 -0.289 0.000 0.953 225 F CB 2.680 41.318 39.000 -0.604 0.000 1.345 225 F HN 0.334 nan 8.300 nan 0.000 0.468 226 T N 3.012 117.633 114.554 0.112 0.000 2.841 226 T HA 0.655 5.005 4.350 -0.000 0.000 0.285 226 T C -0.902 173.858 174.700 0.101 0.000 0.991 226 T CA -0.554 61.599 62.100 0.088 0.000 0.966 226 T CB 0.911 69.820 68.868 0.068 0.000 0.962 226 T HN 0.329 nan 8.240 nan 0.000 0.438 227 L N 2.895 124.168 121.223 0.084 0.000 2.313 227 L HA 0.922 5.262 4.340 -0.000 0.000 0.283 227 L C 0.119 177.015 176.870 0.042 0.000 1.013 227 L CA -0.724 54.161 54.840 0.074 0.000 0.816 227 L CB 1.311 43.411 42.059 0.069 0.000 1.236 227 L HN 0.809 nan 8.230 nan 0.000 0.419 228 A N 2.865 125.714 122.820 0.048 0.000 2.540 228 A HA 0.463 4.783 4.320 -0.000 0.000 0.291 228 A C -1.295 176.320 177.584 0.050 0.000 1.083 228 A CA -0.834 51.227 52.037 0.040 0.000 0.650 228 A CB 1.157 20.185 19.000 0.046 0.000 1.292 228 A HN 0.609 nan 8.150 nan 0.000 0.435 229 N N 0.304 119.036 118.700 0.054 0.000 2.453 229 N HA 0.330 5.069 4.740 -0.000 0.000 0.253 229 N C 1.631 177.177 175.510 0.061 0.000 1.252 229 N CA 0.770 53.854 53.050 0.056 0.000 0.917 229 N CB 0.970 39.494 38.487 0.062 0.000 1.117 229 N HN 0.916 nan 8.380 nan 0.000 0.442 230 E N 1.599 121.830 120.200 0.052 0.000 2.114 230 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 230 E C 1.591 178.226 176.600 0.057 0.000 1.008 230 E CA 2.058 58.487 56.400 0.049 0.000 0.810 230 E CB -0.763 28.960 29.700 0.038 0.000 0.739 230 E HN 0.823 nan 8.360 nan 0.000 0.456 231 E N -0.448 119.791 120.200 0.064 0.000 2.085 231 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 231 E C 2.237 178.902 176.600 0.109 0.000 0.994 231 E CA 1.386 57.832 56.400 0.076 0.000 0.801 231 E CB -0.107 29.641 29.700 0.081 0.000 0.743 231 E HN 0.428 nan 8.360 nan 0.000 0.453 232 V N 1.304 121.297 119.914 0.132 0.000 2.323 232 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 232 V C 2.364 178.550 176.094 0.153 0.000 1.041 232 V CA 1.101 63.520 62.300 0.199 0.000 1.025 232 V CB -0.346 31.574 31.823 0.161 0.000 0.656 232 V HN 0.358 nan 8.190 nan 0.000 0.451 233 I N 1.071 121.702 120.570 0.101 0.000 2.163 233 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 233 I C 2.280 178.429 176.117 0.053 0.000 1.085 233 I CA 1.684 63.029 61.300 0.076 0.000 1.347 233 I CB -1.504 36.534 38.000 0.062 0.000 1.044 233 I HN 0.402 nan 8.210 nan 0.000 0.408 234 N N 0.862 119.589 118.700 0.045 0.000 2.223 234 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 234 N C 2.005 177.516 175.510 0.001 0.000 1.016 234 N CA 0.934 53.996 53.050 0.020 0.000 0.863 234 N CB -0.340 38.159 38.487 0.019 0.000 0.983 234 N HN 0.362 nan 8.380 nan 0.000 0.429 235 L N 0.381 121.608 121.223 0.008 0.000 2.072 235 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 235 L C 1.105 177.931 176.870 -0.075 0.000 1.079 235 L CA 0.374 55.178 54.840 -0.061 0.000 0.752 235 L CB -0.239 41.755 42.059 -0.109 0.000 0.906 235 L HN 0.060 nan 8.230 nan 0.000 0.436 239 V N -1.068 118.809 119.914 -0.062 0.000 3.605 239 V HA 0.397 4.517 4.120 -0.000 0.000 0.284 239 V C 0.815 176.883 176.094 -0.043 0.000 1.386 239 V CA -0.310 61.957 62.300 -0.054 0.000 1.053 239 V CB 0.136 31.926 31.823 -0.056 0.000 0.857 239 V HN 0.184 nan 8.190 nan 0.000 0.436 240 I N 2.171 122.714 120.570 -0.045 0.000 2.720 240 I HA 0.599 4.769 4.170 -0.000 0.000 0.287 240 I C 1.146 177.227 176.117 -0.059 0.000 1.090 240 I CA 0.022 61.295 61.300 -0.044 0.000 1.384 240 I CB 1.220 39.193 38.000 -0.045 0.000 1.420 240 I HN 0.354 nan 8.210 nan 0.000 0.575 241 A N 8.350 131.140 122.820 -0.049 0.000 2.466 241 A HA 0.235 4.555 4.320 -0.000 0.000 0.238 241 A C -1.473 176.046 177.584 -0.109 0.000 1.074 241 A CA -0.798 51.208 52.037 -0.052 0.000 0.774 241 A CB -0.433 18.559 19.000 -0.013 0.000 1.015 241 A HN 0.713 nan 8.150 nan 0.000 0.498 242 P HA -0.125 nan 4.420 nan 0.000 0.217 242 P C -0.315 176.612 177.300 -0.622 0.000 1.150 242 P CA 1.653 64.489 63.100 -0.441 0.000 0.832 242 P CB -0.036 31.345 31.700 -0.530 0.000 0.787 243 Y N 0.022 120.330 120.300 0.012 0.000 2.662 243 Y HA 0.292 4.842 4.550 -0.000 0.000 0.358 243 Y C -1.371 174.541 175.900 0.020 0.000 1.041 243 Y CA -1.722 56.403 58.100 0.041 0.000 1.184 243 Y CB 0.874 39.413 38.460 0.131 0.000 1.114 243 Y HN -0.008 nan 8.280 nan 0.000 0.650 244 P HA -0.026 nan 4.420 nan 0.000 0.229 244 P C -0.127 177.175 177.300 0.004 0.000 1.160 244 P CA 0.706 63.819 63.100 0.023 0.000 0.777 244 P CB 1.138 32.822 31.700 -0.027 0.000 0.814 245 L N 0.695 121.931 121.223 0.021 0.000 2.362 245 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 245 L C 0.227 177.102 176.870 0.010 0.000 0.998 245 L CA -0.774 54.056 54.840 -0.016 0.000 0.820 245 L CB 1.884 43.912 42.059 -0.053 0.000 1.270 245 L HN -0.124 nan 8.230 nan 0.000 0.415 246 S N 1.620 117.309 115.700 -0.018 0.000 2.603 246 S HA 0.213 4.683 4.470 -0.000 0.000 0.268 246 S C 0.997 175.580 174.600 -0.029 0.000 1.317 246 S CA 0.035 58.220 58.200 -0.026 0.000 1.012 246 S CB 0.997 64.173 63.200 -0.040 0.000 0.926 246 S HN 0.705 nan 8.310 nan 0.000 0.539 247 T N 3.006 117.539 114.554 -0.035 0.000 2.746 247 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 247 T C -0.768 173.913 174.700 -0.031 0.000 1.039 247 T CA 1.491 63.574 62.100 -0.028 0.000 1.142 247 T CB -1.254 67.593 68.868 -0.035 0.000 0.866 247 T HN 0.694 nan 8.240 nan 0.000 0.444 248 P HA -0.022 nan 4.420 nan 0.000 0.216 248 P C 1.593 178.866 177.300 -0.045 0.000 1.150 248 P CA 0.895 63.975 63.100 -0.032 0.000 0.837 248 P CB -0.194 31.488 31.700 -0.031 0.000 0.786 249 V N 0.735 120.615 119.914 -0.056 0.000 2.379 249 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 249 V C 2.890 178.933 176.094 -0.085 0.000 1.044 249 V CA 2.051 64.302 62.300 -0.081 0.000 1.036 249 V CB -1.646 30.125 31.823 -0.087 0.000 0.664 249 V HN 0.094 nan 8.190 nan 0.000 0.453 250 A N -0.051 122.734 122.820 -0.058 0.000 1.933 250 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 250 A C 2.105 179.669 177.584 -0.033 0.000 1.175 250 A CA 2.021 54.034 52.037 -0.040 0.000 0.628 250 A CB -0.632 18.359 19.000 -0.015 0.000 0.814 250 A HN 0.569 nan 8.150 nan 0.000 0.444 251 D N 0.774 121.156 120.400 -0.030 0.000 2.087 251 D HA -0.180 4.460 4.640 -0.000 0.000 0.192 251 D C 1.955 178.236 176.300 -0.033 0.000 0.993 251 D CA 2.023 56.013 54.000 -0.016 0.000 0.828 251 D CB -0.352 40.444 40.800 -0.006 0.000 0.968 251 D HN 0.567 nan 8.370 nan 0.000 0.448 252 I N -1.432 119.093 120.570 -0.076 0.000 2.439 252 I HA -0.023 4.147 4.170 -0.000 0.000 0.251 252 I C 2.344 178.263 176.117 -0.329 0.000 1.139 252 I CA 1.182 62.372 61.300 -0.183 0.000 1.438 252 I CB -0.750 37.121 38.000 -0.216 0.000 1.085 252 I HN -0.049 nan 8.210 nan 0.000 0.427 253 A N 1.831 124.517 122.820 -0.224 0.000 1.902 253 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 253 A C 2.607 180.119 177.584 -0.121 0.000 1.181 253 A CA 1.913 53.830 52.037 -0.200 0.000 0.623 253 A CB -0.881 18.050 19.000 -0.115 0.000 0.818 253 A HN 0.573 nan 8.150 nan 0.000 0.443 254 A N -0.643 122.143 122.820 -0.057 0.000 1.902 254 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 254 A C 2.121 179.707 177.584 0.003 0.000 1.181 254 A CA 1.673 53.706 52.037 -0.007 0.000 0.623 254 A CB -0.570 18.439 19.000 0.014 0.000 0.818 254 A HN 0.659 nan 8.150 nan 0.000 0.443 255 Q N -0.728 119.077 119.800 0.007 0.000 2.084 255 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 255 Q C 2.350 178.443 176.000 0.155 0.000 0.978 255 Q CA 1.392 57.262 55.803 0.111 0.000 0.844 255 Q CB -0.377 28.501 28.738 0.234 0.000 0.898 255 Q HN 0.681 nan 8.270 nan 0.000 0.426 256 A N 0.457 123.274 122.820 -0.004 0.000 2.067 256 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 256 A C 1.716 179.350 177.584 0.083 0.000 1.158 256 A CA 0.865 52.939 52.037 0.062 0.000 0.661 256 A CB -0.209 18.658 19.000 -0.222 0.000 0.801 256 A HN 0.281 nan 8.150 nan 0.000 0.452 257 L N 0.710 121.929 121.223 -0.006 0.000 2.628 257 L HA 0.090 4.430 4.340 -0.000 0.000 0.229 257 L C 1.099 177.977 176.870 0.014 0.000 1.137 257 L CA -0.012 54.809 54.840 -0.031 0.000 0.909 257 L CB -0.055 41.955 42.059 -0.081 0.000 1.137 257 L HN 0.445 nan 8.230 nan 0.000 0.470 258 S N -1.057 114.671 115.700 0.047 0.000 2.600 258 S HA 0.201 4.671 4.470 -0.000 0.000 0.265 258 S C -1.650 172.974 174.600 0.041 0.000 1.325 258 S CA -1.016 57.212 58.200 0.046 0.000 1.002 258 S CB 0.721 63.958 63.200 0.060 0.000 0.921 258 S HN -0.124 nan 8.310 nan 0.000 0.554 259 P HA -0.088 nan 4.420 nan 0.000 0.216 259 P C 2.154 179.468 177.300 0.022 0.000 1.153 259 P CA 2.469 65.585 63.100 0.027 0.000 0.858 259 P CB -0.351 31.361 31.700 0.021 0.000 0.789 260 Q N -0.436 119.380 119.800 0.025 0.000 2.167 260 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 260 Q C 2.412 178.426 176.000 0.025 0.000 0.970 260 Q CA 1.880 57.694 55.803 0.019 0.000 0.855 260 Q CB -2.192 26.557 28.738 0.019 0.000 0.911 260 Q HN 0.359 nan 8.270 nan 0.000 0.438 261 G N 0.474 109.308 108.800 0.057 0.000 2.422 261 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 261 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 261 G C 1.536 176.459 174.900 0.037 0.000 1.146 261 G CA 1.014 46.171 45.100 0.094 0.000 0.769 261 G HN 0.495 nan 8.290 nan 0.000 0.547 262 I N 0.979 121.555 120.570 0.010 0.000 2.252 262 I HA -0.078 4.091 4.170 -0.000 0.000 0.245 262 I C 2.939 179.002 176.117 -0.090 0.000 1.102 262 I CA 0.538 61.801 61.300 -0.062 0.000 1.385 262 I CB -1.180 36.819 38.000 -0.002 0.000 1.064 262 I HN 0.024 nan 8.210 nan 0.000 0.414 263 V N 1.398 121.285 119.914 -0.045 0.000 2.332 263 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 263 V C 1.801 177.850 176.094 -0.075 0.000 1.055 263 V CA 1.280 63.551 62.300 -0.048 0.000 1.038 263 V CB -1.024 30.785 31.823 -0.024 0.000 0.651 263 V HN 0.432 nan 8.190 nan 0.000 0.450 267 E N 1.418 121.560 120.200 -0.097 0.000 2.106 267 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 267 E C 1.640 178.229 176.600 -0.018 0.000 0.984 267 E CA 0.829 57.203 56.400 -0.043 0.000 0.806 267 E CB 0.091 29.771 29.700 -0.034 0.000 0.750 267 E HN 0.191 nan 8.360 nan 0.000 0.458 268 R N 0.573 121.024 120.500 -0.082 0.000 2.081 268 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 268 R C 2.447 178.804 176.300 0.095 0.000 1.131 268 R CA 0.992 57.077 56.100 -0.025 0.000 0.960 268 R CB -0.353 29.728 30.300 -0.365 0.000 0.856 268 R HN 0.057 nan 8.270 nan 0.000 0.436 269 V N 1.133 121.028 119.914 -0.032 0.000 2.295 269 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 269 V C 2.501 178.681 176.094 0.144 0.000 1.049 269 V CA 1.995 64.316 62.300 0.035 0.000 1.024 269 V CB -0.721 30.997 31.823 -0.175 0.000 0.648 269 V HN 0.397 nan 8.190 nan 0.000 0.447 270 A N -0.737 122.125 122.820 0.071 0.000 1.908 270 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 270 A C 2.268 179.914 177.584 0.104 0.000 1.181 270 A CA 2.253 54.336 52.037 0.077 0.000 0.627 270 A CB -0.616 18.409 19.000 0.041 0.000 0.818 270 A HN 0.621 nan 8.150 nan 0.000 0.445 271 Q N -0.528 119.343 119.800 0.118 0.000 2.030 271 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 271 Q C 1.942 178.032 176.000 0.149 0.000 0.986 271 Q CA 1.942 57.823 55.803 0.130 0.000 0.843 271 Q CB -0.227 28.613 28.738 0.171 0.000 0.904 271 Q HN 0.547 nan 8.270 nan 0.000 0.420 272 I N 0.951 121.655 120.570 0.222 0.000 2.286 272 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 272 I C 2.417 178.619 176.117 0.142 0.000 1.115 272 I CA 1.106 62.532 61.300 0.208 0.000 1.392 272 I CB -1.035 37.177 38.000 0.353 0.000 1.065 272 I HN 0.340 nan 8.210 nan 0.000 0.418 273 I N 0.912 121.585 120.570 0.171 0.000 2.226 273 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 273 I C 2.727 178.897 176.117 0.089 0.000 1.100 273 I CA 1.357 62.729 61.300 0.120 0.000 1.374 273 I CB -0.395 37.687 38.000 0.137 0.000 1.057 273 I HN 0.121 nan 8.210 nan 0.000 0.413 274 A N 0.273 123.147 122.820 0.091 0.000 1.933 274 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 274 A C 2.197 179.839 177.584 0.096 0.000 1.175 274 A CA 1.992 54.077 52.037 0.079 0.000 0.628 274 A CB -0.487 18.550 19.000 0.061 0.000 0.814 274 A HN 0.392 nan 8.150 nan 0.000 0.444 275 E N 0.105 120.361 120.200 0.094 0.000 2.106 275 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 275 E C 2.134 178.817 176.600 0.138 0.000 0.984 275 E CA 1.343 57.812 56.400 0.116 0.000 0.806 275 E CB -0.298 29.452 29.700 0.083 0.000 0.750 275 E HN 0.566 nan 8.360 nan 0.000 0.458 276 R N 0.261 120.810 120.500 0.081 0.000 2.073 276 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 276 R C 1.755 178.084 176.300 0.049 0.000 1.134 276 R CA 1.627 57.752 56.100 0.041 0.000 0.952 276 R CB -0.116 30.175 30.300 -0.015 0.000 0.850 276 R HN 0.105 nan 8.270 nan 0.000 0.433 277 E N -0.163 120.076 120.200 0.066 0.000 2.153 277 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 277 E C 1.616 178.262 176.600 0.077 0.000 0.988 277 E CA 0.960 57.395 56.400 0.058 0.000 0.811 277 E CB -0.436 29.302 29.700 0.063 0.000 0.746 277 E HN 0.467 nan 8.360 nan 0.000 0.466 278 Y N 1.194 121.499 120.300 0.008 0.000 2.163 278 Y HA -0.185 4.365 4.550 -0.000 0.000 0.288 278 Y C 2.207 178.111 175.900 0.006 0.000 1.136 278 Y CA 1.158 59.263 58.100 0.008 0.000 1.147 278 Y CB -0.401 38.065 38.460 0.010 0.000 0.987 278 Y HN 0.041 nan 8.280 nan 0.000 0.509 279 L N 0.435 121.613 121.223 -0.076 0.000 2.046 279 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 279 L C 2.229 179.011 176.870 -0.147 0.000 1.077 279 L CA 1.653 56.400 54.840 -0.154 0.000 0.747 279 L CB -0.888 41.177 42.059 0.011 0.000 0.896 279 L HN 0.385 nan 8.230 nan 0.000 0.432 280 I N -0.589 119.931 120.570 -0.084 0.000 2.179 280 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 280 I C 2.571 178.622 176.117 -0.110 0.000 1.088 280 I CA 1.279 62.535 61.300 -0.075 0.000 1.357 280 I CB -0.667 37.309 38.000 -0.040 0.000 1.051 280 I HN 0.346 nan 8.210 nan 0.000 0.409 281 A N 0.699 123.446 122.820 -0.121 0.000 1.908 281 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 281 A C 2.519 180.002 177.584 -0.169 0.000 1.181 281 A CA 1.997 53.961 52.037 -0.122 0.000 0.627 281 A CB -0.818 18.127 19.000 -0.092 0.000 0.818 281 A HN 0.460 nan 8.150 nan 0.000 0.445 282 A N -0.300 122.352 122.820 -0.280 0.000 1.873 282 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 282 A C 2.172 179.656 177.584 -0.166 0.000 1.186 282 A CA 1.382 53.254 52.037 -0.274 0.000 0.616 282 A CB -0.621 18.098 19.000 -0.468 0.000 0.823 282 A HN 0.461 nan 8.150 nan 0.000 0.442 283 L N -0.432 120.702 121.223 -0.148 0.000 2.012 283 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 283 L C 2.523 179.317 176.870 -0.126 0.000 1.073 283 L CA 1.887 56.662 54.840 -0.108 0.000 0.748 283 L CB -0.521 41.481 42.059 -0.095 0.000 0.891 283 L HN 0.369 nan 8.230 nan 0.000 0.431 284 K N -0.317 120.005 120.400 -0.131 0.000 2.218 284 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 284 K C 1.800 178.337 176.600 -0.105 0.000 1.046 284 K CA 1.086 57.294 56.287 -0.131 0.000 0.933 284 K CB -0.069 32.362 32.500 -0.115 0.000 0.728 284 K HN 0.344 nan 8.250 nan 0.000 0.454 285 E N 0.403 120.549 120.200 -0.090 0.000 2.442 285 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 285 E C 0.554 177.122 176.600 -0.053 0.000 1.030 285 E CA 0.197 56.557 56.400 -0.066 0.000 0.869 285 E CB 0.219 29.883 29.700 -0.059 0.000 0.857 285 E HN 0.320 nan 8.360 nan 0.000 0.505 286 I N 2.665 123.201 120.570 -0.056 0.000 2.556 286 I HA -0.016 4.153 4.170 -0.000 0.000 0.284 286 I C -1.384 174.717 176.117 -0.027 0.000 1.114 286 I CA -1.489 59.794 61.300 -0.029 0.000 1.418 286 I CB 0.613 38.609 38.000 -0.007 0.000 1.394 286 I HN -0.209 nan 8.210 nan 0.000 0.552 287 P HA -0.209 nan 4.420 nan 0.000 0.216 287 P C 1.506 178.813 177.300 0.011 0.000 1.157 287 P CA 1.427 64.526 63.100 -0.002 0.000 0.880 287 P CB 0.002 31.707 31.700 0.009 0.000 0.791 288 C N -3.204 116.125 119.300 0.047 0.000 2.539 288 C HA 0.171 4.631 4.460 -0.000 0.000 0.271 288 C C 0.973 176.008 174.990 0.076 0.000 1.412 288 C CA -0.580 58.498 59.018 0.099 0.000 1.729 288 C CB -1.560 26.283 27.740 0.172 0.000 1.739 288 C HN -0.088 nan 8.230 nan 0.000 0.570 289 V N 2.375 122.252 119.914 -0.062 0.000 2.383 289 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 289 V C 0.843 176.803 176.094 -0.224 0.000 1.036 289 V CA 0.292 62.410 62.300 -0.304 0.000 0.889 289 V CB 1.036 32.652 31.823 -0.345 0.000 0.985 289 V HN 0.453 nan 8.190 nan 0.000 0.459 290 E N 3.015 123.074 120.200 -0.235 0.000 2.140 290 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 290 E C 0.609 177.085 176.600 -0.207 0.000 0.973 290 E CA 0.329 56.637 56.400 -0.154 0.000 0.829 290 E CB 0.638 30.292 29.700 -0.078 0.000 0.781 290 E HN 0.731 nan 8.360 nan 0.000 0.466 291 Q N 0.213 119.828 119.800 -0.308 0.000 2.403 291 Q HA 0.284 4.624 4.340 -0.000 0.000 0.267 291 Q C -2.100 173.563 176.000 -0.562 0.000 0.991 291 Q CA -0.415 55.131 55.803 -0.429 0.000 0.906 291 Q CB 2.172 30.610 28.738 -0.499 0.000 1.422 291 Q HN -0.082 nan 8.270 nan 0.000 0.400 292 V N 4.176 123.786 119.914 -0.506 0.000 2.409 292 V HA 0.528 4.648 4.120 -0.000 0.000 0.291 292 V C -0.729 175.137 176.094 -0.379 0.000 1.020 292 V CA -0.474 61.612 62.300 -0.357 0.000 0.848 292 V CB 0.955 32.661 31.823 -0.195 0.000 0.990 292 V HN 0.627 nan 8.190 nan 0.000 0.430 293 F N 1.840 121.828 119.950 0.063 0.000 2.384 293 F HA 0.362 4.889 4.527 -0.000 0.000 0.338 293 F C 0.801 176.649 175.800 0.081 0.000 1.103 293 F CA -0.482 57.594 58.000 0.127 0.000 1.157 293 F CB 0.646 39.809 39.000 0.273 0.000 1.167 293 F HN 0.498 nan 8.300 nan 0.000 0.529 294 D N 1.235 121.789 120.400 0.257 0.000 2.506 294 D HA 0.146 4.786 4.640 -0.000 0.000 0.234 294 D C -0.509 175.860 176.300 0.116 0.000 1.143 294 D CA 0.634 54.720 54.000 0.144 0.000 0.871 294 D CB 0.739 41.618 40.800 0.132 0.000 1.190 294 D HN 0.447 nan 8.370 nan 0.000 0.459 295 S N 2.133 117.852 115.700 0.031 0.000 2.541 295 S HA 0.368 4.838 4.470 -0.000 0.000 0.280 295 S C -0.568 173.986 174.600 -0.076 0.000 1.112 295 S CA -0.686 57.477 58.200 -0.061 0.000 0.925 295 S CB 1.303 64.417 63.200 -0.143 0.000 1.067 295 S HN 0.431 nan 8.310 nan 0.000 0.479 296 E N 2.471 122.605 120.200 -0.108 0.000 2.789 296 E HA 0.204 4.554 4.350 -0.000 0.000 0.208 296 E C 0.277 176.823 176.600 -0.090 0.000 0.988 296 E CA 0.032 56.409 56.400 -0.039 0.000 1.092 296 E CB 1.014 30.735 29.700 0.034 0.000 1.066 296 E HN 0.824 nan 8.360 nan 0.000 0.465 297 T N -1.684 112.650 114.554 -0.366 0.000 2.604 297 T HA 0.234 4.584 4.350 -0.000 0.000 0.267 297 T C 0.546 174.662 174.700 -0.973 0.000 0.923 297 T CA -0.690 61.006 62.100 -0.673 0.000 1.077 297 T CB 0.693 68.809 68.868 -1.253 0.000 1.392 297 T HN -0.051 nan 8.240 nan 0.000 0.531 298 N N 0.108 118.104 118.700 -1.173 0.000 2.321 298 N HA 0.199 4.939 4.740 -0.000 0.000 0.242 298 N C -0.679 174.664 175.510 -0.278 0.000 1.141 298 N CA -0.628 51.958 53.050 -0.773 0.000 0.864 298 N CB -0.581 37.462 38.487 -0.741 0.000 1.100 298 N HN 0.859 nan 8.380 nan 0.000 0.510 299 Y N -2.158 117.986 120.300 -0.260 0.000 2.609 299 Y HA 0.720 5.270 4.550 -0.000 0.000 0.336 299 Y C -1.322 174.515 175.900 -0.105 0.000 1.129 299 Y CA -1.645 56.367 58.100 -0.148 0.000 1.040 299 Y CB 1.035 39.398 38.460 -0.162 0.000 1.310 299 Y HN -0.177 nan 8.280 nan 0.000 0.460 300 I N 2.906 123.575 120.570 0.164 0.000 2.498 300 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 300 I C -1.415 174.824 176.117 0.204 0.000 1.032 300 I CA -0.938 60.439 61.300 0.129 0.000 1.073 300 I CB 2.122 40.170 38.000 0.081 0.000 1.251 300 I HN 0.595 nan 8.210 nan 0.000 0.426 301 L N 6.328 127.685 121.223 0.223 0.000 2.289 301 L HA 0.871 5.211 4.340 -0.000 0.000 0.285 301 L C -0.343 176.759 176.870 0.386 0.000 1.049 301 L CA 0.118 55.112 54.840 0.257 0.000 0.804 301 L CB 1.225 43.359 42.059 0.125 0.000 1.195 301 L HN 0.754 nan 8.230 nan 0.000 0.428 302 A N 5.325 128.353 122.820 0.347 0.000 2.515 302 A HA 0.718 5.038 4.320 -0.000 0.000 0.298 302 A C -1.024 176.660 177.584 0.167 0.000 1.059 302 A CA -0.798 51.319 52.037 0.133 0.000 0.698 302 A CB 1.259 20.153 19.000 -0.177 0.000 1.289 302 A HN 0.714 nan 8.150 nan 0.000 0.404 303 R N 1.287 121.796 120.500 0.015 0.000 2.312 303 R HA 0.665 5.005 4.340 -0.000 0.000 0.311 303 R C -1.604 174.611 176.300 -0.142 0.000 1.004 303 R CA -0.179 56.002 56.100 0.134 0.000 0.902 303 R CB 0.483 30.906 30.300 0.205 0.000 1.073 303 R HN 0.557 nan 8.270 nan 0.000 0.457 304 F N 1.602 121.602 119.950 0.082 0.000 2.575 304 F HA 0.442 4.969 4.527 -0.000 0.000 0.330 304 F C 0.184 176.012 175.800 0.047 0.000 1.056 304 F CA -0.928 57.105 58.000 0.056 0.000 0.964 304 F CB 1.359 40.396 39.000 0.062 0.000 1.258 304 F HN 0.220 nan 8.300 nan 0.000 0.484 305 K N 1.138 121.679 120.400 0.236 0.000 2.258 305 K HA 0.552 4.872 4.320 -0.000 0.000 0.284 305 K C -0.000 176.688 176.600 0.148 0.000 1.051 305 K CA -0.087 56.285 56.287 0.140 0.000 0.923 305 K CB 0.978 33.534 32.500 0.093 0.000 1.046 305 K HN 0.837 nan 8.250 nan 0.000 0.474 306 A N 2.215 125.099 122.820 0.106 0.000 2.519 306 A HA -0.206 4.114 4.320 -0.000 0.000 0.297 306 A C 1.479 179.113 177.584 0.083 0.000 1.472 306 A CA 0.891 52.975 52.037 0.078 0.000 0.739 306 A CB -2.253 16.782 19.000 0.059 0.000 1.096 306 A HN 0.961 nan 8.150 nan 0.000 0.414 307 S N -0.310 115.451 115.700 0.103 0.000 2.383 307 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 307 S C 1.868 176.478 174.600 0.017 0.000 1.030 307 S CA 1.903 60.140 58.200 0.062 0.000 1.002 307 S CB -0.517 62.744 63.200 0.101 0.000 0.829 307 S HN 1.193 nan 8.310 nan 0.000 0.467 308 S N 2.104 117.818 115.700 0.022 0.000 2.382 308 S HA 0.140 4.610 4.470 -0.000 0.000 0.228 308 S C 2.305 176.941 174.600 0.059 0.000 1.027 308 S CA 0.966 59.184 58.200 0.031 0.000 0.991 308 S CB -0.767 62.432 63.200 -0.002 0.000 0.823 308 S HN 0.803 nan 8.310 nan 0.000 0.469 309 A N 1.018 123.858 122.820 0.034 0.000 1.898 309 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 309 A C 2.312 179.903 177.584 0.013 0.000 1.181 309 A CA 1.302 53.353 52.037 0.022 0.000 0.620 309 A CB -0.815 18.197 19.000 0.021 0.000 0.819 309 A HN 0.337 nan 8.150 nan 0.000 0.442 310 V N -1.145 118.769 119.914 0.001 0.000 2.295 310 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 310 V C 2.285 178.344 176.094 -0.058 0.000 1.049 310 V CA 2.152 64.418 62.300 -0.056 0.000 1.024 310 V CB -0.977 30.747 31.823 -0.165 0.000 0.648 310 V HN 0.640 nan 8.190 nan 0.000 0.447 311 F N 1.514 121.363 119.950 -0.168 0.000 2.095 311 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 311 F C 2.474 178.260 175.800 -0.023 0.000 1.104 311 F CA 2.384 60.315 58.000 -0.115 0.000 1.232 311 F CB -0.129 38.799 39.000 -0.119 0.000 0.987 311 F HN 0.039 nan 8.300 nan 0.000 0.475 312 K N 0.342 120.731 120.400 -0.018 0.000 2.057 312 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 312 K C 2.364 178.925 176.600 -0.066 0.000 1.050 312 K CA 1.687 57.915 56.287 -0.099 0.000 0.935 312 K CB -0.869 31.609 32.500 -0.037 0.000 0.715 312 K HN 0.257 nan 8.250 nan 0.000 0.439 313 S N -0.390 115.278 115.700 -0.052 0.000 2.359 313 S HA -0.102 4.367 4.470 -0.000 0.000 0.224 313 S C 1.749 176.308 174.600 -0.067 0.000 1.035 313 S CA 1.356 59.530 58.200 -0.044 0.000 1.018 313 S CB -0.315 62.865 63.200 -0.034 0.000 0.876 313 S HN 0.290 nan 8.310 nan 0.000 0.448 314 L N 1.290 122.447 121.223 -0.110 0.000 2.093 314 L HA 0.013 4.353 4.340 -0.000 0.000 0.208 314 L C 2.177 178.938 176.870 -0.182 0.000 1.085 314 L CA 1.417 56.170 54.840 -0.144 0.000 0.755 314 L CB -0.926 41.034 42.059 -0.164 0.000 0.904 314 L HN 0.575 nan 8.230 nan 0.000 0.435 315 W N 1.162 122.194 121.300 -0.446 0.000 2.335 315 W HA -0.259 4.401 4.660 -0.000 0.000 0.311 315 W C 1.714 178.048 176.519 -0.308 0.000 1.213 315 W CA 1.894 58.953 57.345 -0.476 0.000 1.274 315 W CB -0.241 28.850 29.460 -0.616 0.000 1.148 315 W HN 0.260 nan 8.180 nan 0.000 0.498 316 D N -0.072 120.381 120.400 0.089 0.000 2.310 316 D HA -0.151 4.489 4.640 -0.000 0.000 0.212 316 D C 1.914 178.167 176.300 -0.078 0.000 0.965 316 D CA 1.203 55.225 54.000 0.037 0.000 0.879 316 D CB -0.413 40.414 40.800 0.044 0.000 0.921 316 D HN 0.446 nan 8.370 nan 0.000 0.510 317 Q N -0.816 118.912 119.800 -0.120 0.000 2.403 317 Q HA 0.232 4.572 4.340 -0.000 0.000 0.203 317 Q C 1.031 176.913 176.000 -0.197 0.000 0.932 317 Q CA 0.414 56.139 55.803 -0.130 0.000 0.945 317 Q CB 0.793 29.466 28.738 -0.107 0.000 1.045 317 Q HN 0.266 nan 8.270 nan 0.000 0.511 318 G N 1.298 109.913 108.800 -0.308 0.000 2.157 318 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.239 318 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.239 318 G C 0.070 174.668 174.900 -0.504 0.000 0.982 318 G CA -0.322 44.524 45.100 -0.423 0.000 0.650 318 G HN 0.317 nan 8.290 nan 0.000 0.527 319 I N 2.502 122.816 120.570 -0.427 0.000 2.307 319 I HA 0.320 4.489 4.170 -0.000 0.000 0.287 319 I C 0.076 175.920 176.117 -0.455 0.000 1.054 319 I CA -0.919 60.157 61.300 -0.374 0.000 1.218 319 I CB 0.776 38.644 38.000 -0.220 0.000 1.398 319 I HN -0.092 nan 8.210 nan 0.000 0.475 320 I N 7.575 127.797 120.570 -0.580 0.000 2.301 320 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 320 I C 0.253 176.284 176.117 -0.144 0.000 1.046 320 I CA -0.095 60.886 61.300 -0.531 0.000 1.282 320 I CB 0.254 37.722 38.000 -0.888 0.000 1.409 320 I HN 0.463 nan 8.210 nan 0.000 0.484 321 L N 5.453 126.702 121.223 0.042 0.000 2.491 321 L HA 0.638 4.978 4.340 -0.000 0.000 0.264 321 L C 0.197 177.329 176.870 0.438 0.000 1.053 321 L CA -1.209 53.765 54.840 0.222 0.000 0.858 321 L CB 0.779 42.977 42.059 0.232 0.000 1.519 321 L HN 0.379 nan 8.230 nan 0.000 0.508 322 R N 0.624 121.309 120.500 0.309 0.000 2.388 322 R HA 0.249 4.589 4.340 -0.000 0.000 0.314 322 R C -1.215 175.074 176.300 -0.019 0.000 0.959 322 R CA -0.552 55.654 56.100 0.175 0.000 0.851 322 R CB 0.535 30.882 30.300 0.078 0.000 1.168 322 R HN 0.396 nan 8.270 nan 0.000 0.472 323 D N 2.289 122.491 120.400 -0.330 0.000 2.417 323 D HA 0.066 4.706 4.640 -0.000 0.000 0.250 323 D C -0.221 175.912 176.300 -0.278 0.000 1.166 323 D CA 0.376 54.031 54.000 -0.575 0.000 0.881 323 D CB 1.116 41.256 40.800 -1.099 0.000 1.164 323 D HN 0.464 nan 8.370 nan 0.000 0.467 324 Q N 2.626 122.317 119.800 -0.182 0.000 2.171 324 Q HA 0.038 4.378 4.340 -0.000 0.000 0.218 324 Q C 1.226 177.176 176.000 -0.084 0.000 0.822 324 Q CA -0.150 55.586 55.803 -0.111 0.000 0.987 324 Q CB -0.038 28.657 28.738 -0.072 0.000 1.144 324 Q HN 0.640 nan 8.270 nan 0.000 0.494 325 N N 1.213 119.848 118.700 -0.108 0.000 2.258 325 N HA -0.166 4.574 4.740 -0.000 0.000 0.187 325 N C 0.858 176.337 175.510 -0.052 0.000 1.012 325 N CA 0.899 53.909 53.050 -0.066 0.000 0.870 325 N CB 0.403 38.832 38.487 -0.097 0.000 0.977 325 N HN 0.007 nan 8.380 nan 0.000 0.434 326 K N 0.379 120.734 120.400 -0.074 0.000 2.393 326 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 326 K C 0.279 176.861 176.600 -0.030 0.000 1.026 326 K CA 0.149 56.404 56.287 -0.053 0.000 1.064 326 K CB 0.234 32.692 32.500 -0.070 0.000 0.833 326 K HN 0.269 nan 8.250 nan 0.000 0.521 327 Q N 1.785 121.567 119.800 -0.030 0.000 2.327 327 Q HA 0.163 4.503 4.340 -0.000 0.000 0.254 327 Q C -2.256 173.755 176.000 0.017 0.000 0.952 327 Q CA -2.163 53.634 55.803 -0.011 0.000 0.884 327 Q CB 0.485 29.203 28.738 -0.033 0.000 1.224 327 Q HN 0.067 nan 8.270 nan 0.000 0.422 328 P HA -0.110 nan 4.420 nan 0.000 0.263 328 P C 0.225 177.581 177.300 0.094 0.000 1.195 328 P CA 0.756 63.890 63.100 0.057 0.000 0.762 328 P CB 0.646 32.383 31.700 0.061 0.000 0.799 329 S N 1.840 117.599 115.700 0.098 0.000 2.691 329 S HA -0.200 4.270 4.470 -0.000 0.000 0.262 329 S C 0.441 175.141 174.600 0.167 0.000 1.284 329 S CA 1.102 59.387 58.200 0.143 0.000 1.372 329 S CB -2.436 60.901 63.200 0.229 0.000 1.693 329 S HN 0.436 nan 8.310 nan 0.000 0.647 330 L N 2.142 123.431 121.223 0.111 0.000 2.848 330 L HA 0.419 4.759 4.340 -0.000 0.000 0.240 330 L C 1.035 177.955 176.870 0.083 0.000 1.232 330 L CA 0.232 55.127 54.840 0.091 0.000 1.031 330 L CB 0.359 42.422 42.059 0.005 0.000 1.338 330 L HN 0.473 nan 8.230 nan 0.000 0.509 331 S N 0.632 116.382 115.700 0.084 0.000 2.546 331 S HA 0.231 4.701 4.470 -0.000 0.000 0.290 331 S C 1.451 176.115 174.600 0.106 0.000 1.290 331 S CA 0.887 59.129 58.200 0.071 0.000 1.069 331 S CB 0.446 63.683 63.200 0.062 0.000 0.846 331 S HN 0.765 nan 8.310 nan 0.000 0.495 332 G N 3.158 112.015 108.800 0.096 0.000 2.162 332 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 332 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 332 G C 0.286 175.329 174.900 0.238 0.000 0.976 332 G CA 0.143 45.332 45.100 0.149 0.000 0.655 332 G HN 0.936 nan 8.290 nan 0.000 0.533 333 C N 0.649 120.066 119.300 0.195 0.000 2.358 333 C HA 0.826 5.286 4.460 -0.000 0.000 0.342 333 C C 0.592 175.689 174.990 0.178 0.000 1.234 333 C CA -0.753 58.419 59.018 0.257 0.000 1.969 333 C CB 0.819 28.675 27.740 0.193 0.000 2.346 333 C HN 0.433 nan 8.230 nan 0.000 0.525 334 L N 2.640 124.037 121.223 0.290 0.000 2.381 334 L HA 0.616 4.956 4.340 -0.000 0.000 0.268 334 L C -0.029 176.967 176.870 0.210 0.000 0.997 334 L CA -0.582 54.354 54.840 0.160 0.000 0.818 334 L CB 1.359 43.444 42.059 0.043 0.000 1.310 334 L HN 0.615 nan 8.230 nan 0.000 0.416 335 R N 3.056 123.625 120.500 0.114 0.000 2.255 335 R HA 0.613 4.953 4.340 -0.000 0.000 0.326 335 R C -1.184 175.195 176.300 0.131 0.000 0.986 335 R CA -0.482 55.678 56.100 0.101 0.000 0.847 335 R CB 0.898 31.184 30.300 -0.025 0.000 1.111 335 R HN 0.581 nan 8.270 nan 0.000 0.452 336 I N 3.859 124.529 120.570 0.167 0.000 2.330 336 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 336 I C 0.230 176.436 176.117 0.149 0.000 1.001 336 I CA -0.586 60.806 61.300 0.153 0.000 1.193 336 I CB 2.024 40.122 38.000 0.164 0.000 1.345 336 I HN 0.514 nan 8.210 nan 0.000 0.461 337 T N 5.405 120.039 114.554 0.134 0.000 2.918 337 T HA 0.200 4.550 4.350 -0.000 0.000 0.302 337 T C 0.202 174.960 174.700 0.097 0.000 1.045 337 T CA -0.344 61.840 62.100 0.140 0.000 1.114 337 T CB 1.317 70.271 68.868 0.143 0.000 0.965 337 T HN 0.200 nan 8.240 nan 0.000 0.540 338 V N 3.473 123.428 119.914 0.068 0.000 2.408 338 V HA 0.512 4.632 4.120 -0.000 0.000 0.267 338 V C 0.975 177.091 176.094 0.038 0.000 1.047 338 V CA 0.010 62.336 62.300 0.042 0.000 0.937 338 V CB 0.624 32.447 31.823 0.001 0.000 0.999 338 V HN 1.083 nan 8.190 nan 0.000 0.472 339 G N 4.104 112.922 108.800 0.030 0.000 3.194 339 G HA2 0.523 4.483 3.960 -0.000 0.000 0.160 339 G HA3 0.523 4.483 3.960 -0.000 0.000 0.160 339 G C 0.275 175.159 174.900 -0.027 0.000 1.267 339 G CA 0.305 45.399 45.100 -0.011 0.000 0.962 339 G HN 0.682 nan 8.290 nan 0.000 0.612 340 T N -2.058 112.476 114.554 -0.034 0.000 2.816 340 T HA 0.332 4.682 4.350 -0.000 0.000 0.282 340 T C 1.402 176.102 174.700 0.001 0.000 0.993 340 T CA -0.154 61.927 62.100 -0.032 0.000 0.994 340 T CB 1.774 70.618 68.868 -0.039 0.000 1.025 340 T HN 0.399 nan 8.240 nan 0.000 0.529 341 R N 0.502 120.992 120.500 -0.016 0.000 2.091 341 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 341 R C 2.271 178.574 176.300 0.004 0.000 1.136 341 R CA 2.222 58.305 56.100 -0.028 0.000 0.959 341 R CB -1.044 29.192 30.300 -0.106 0.000 0.856 341 R HN 0.934 nan 8.270 nan 0.000 0.437 342 E N 0.216 120.412 120.200 -0.006 0.000 2.077 342 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 342 E C 1.480 178.091 176.600 0.017 0.000 0.989 342 E CA 1.543 57.945 56.400 0.004 0.000 0.800 342 E CB -0.015 29.682 29.700 -0.005 0.000 0.746 342 E HN 0.569 nan 8.360 nan 0.000 0.452 343 E N 0.012 120.222 120.200 0.016 0.000 2.106 343 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 343 E C 2.254 178.878 176.600 0.039 0.000 0.984 343 E CA 1.060 57.470 56.400 0.016 0.000 0.806 343 E CB 0.035 29.743 29.700 0.013 0.000 0.750 343 E HN 0.119 nan 8.360 nan 0.000 0.458 344 S N 0.986 116.729 115.700 0.073 0.000 2.382 344 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 344 S C 1.968 176.642 174.600 0.123 0.000 1.027 344 S CA 1.092 59.362 58.200 0.117 0.000 0.991 344 S CB -0.126 63.202 63.200 0.214 0.000 0.823 344 S HN 0.120 nan 8.310 nan 0.000 0.469 345 Q N 1.260 121.137 119.800 0.129 0.000 2.167 345 Q HA 0.049 4.389 4.340 -0.000 0.000 0.202 345 Q C 2.132 178.166 176.000 0.057 0.000 0.970 345 Q CA 1.206 57.078 55.803 0.114 0.000 0.855 345 Q CB -0.102 28.692 28.738 0.094 0.000 0.911 345 Q HN 0.170 nan 8.270 nan 0.000 0.438 346 R N -0.655 119.864 120.500 0.032 0.000 2.081 346 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 346 R C 2.197 178.498 176.300 0.003 0.000 1.131 346 R CA 1.311 57.413 56.100 0.004 0.000 0.960 346 R CB -1.013 29.275 30.300 -0.020 0.000 0.856 346 R HN 0.235 nan 8.270 nan 0.000 0.436 347 V N 1.513 121.435 119.914 0.015 0.000 2.295 347 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 347 V C 2.452 178.569 176.094 0.037 0.000 1.049 347 V CA 1.700 64.013 62.300 0.022 0.000 1.024 347 V CB -0.447 31.401 31.823 0.042 0.000 0.648 347 V HN 0.193 nan 8.190 nan 0.000 0.447 348 I N 0.277 120.871 120.570 0.040 0.000 2.163 348 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 348 I C 2.288 178.422 176.117 0.029 0.000 1.085 348 I CA 1.773 63.091 61.300 0.030 0.000 1.347 348 I CB -0.562 37.449 38.000 0.018 0.000 1.044 348 I HN 0.325 nan 8.210 nan 0.000 0.408 349 D N 1.007 121.424 120.400 0.028 0.000 2.144 349 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 349 D C 2.245 178.553 176.300 0.013 0.000 0.978 349 D CA 1.515 55.527 54.000 0.020 0.000 0.833 349 D CB -0.208 40.602 40.800 0.017 0.000 0.961 349 D HN 0.361 nan 8.370 nan 0.000 0.470 350 A N 0.688 123.512 122.820 0.007 0.000 1.898 350 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 350 A C 2.370 179.962 177.584 0.014 0.000 1.181 350 A CA 0.791 52.827 52.037 -0.003 0.000 0.620 350 A CB -0.742 18.244 19.000 -0.024 0.000 0.819 350 A HN 0.187 nan 8.150 nan 0.000 0.442 351 L N -1.129 120.116 121.223 0.037 0.000 2.083 351 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 351 L C 2.759 179.665 176.870 0.060 0.000 1.083 351 L CA 1.329 56.213 54.840 0.074 0.000 0.752 351 L CB -0.452 41.689 42.059 0.136 0.000 0.899 351 L HN 0.343 nan 8.230 nan 0.000 0.433 352 R N -0.073 120.450 120.500 0.040 0.000 2.189 352 R HA -0.073 4.267 4.340 -0.000 0.000 0.223 352 R C 2.147 178.461 176.300 0.023 0.000 1.092 352 R CA 0.954 57.071 56.100 0.028 0.000 0.989 352 R CB -0.276 30.035 30.300 0.019 0.000 0.876 352 R HN 0.316 nan 8.270 nan 0.000 0.457 353 A N 0.682 123.513 122.820 0.020 0.000 2.206 353 A HA -0.047 4.273 4.320 -0.000 0.000 0.211 353 A C 1.081 178.674 177.584 0.016 0.000 1.158 353 A CA 0.708 52.752 52.037 0.013 0.000 0.761 353 A CB 0.051 19.054 19.000 0.005 0.000 0.801 353 A HN 0.137 nan 8.150 nan 0.000 0.473 354 E N -2.057 118.159 120.200 0.027 0.000 3.388 354 E HA 0.364 4.714 4.350 -0.000 0.000 0.402 354 E C 1.287 177.908 176.600 0.034 0.000 0.387 354 E CA 0.914 57.334 56.400 0.032 0.000 2.276 354 E CB -0.813 28.916 29.700 0.048 0.000 2.207 354 E HN 0.735 nan 8.360 nan 0.000 0.469 355 Q N -1.319 118.509 119.800 0.047 0.000 2.374 355 Q HA -0.175 4.165 4.340 -0.000 0.000 0.218 355 Q C 0.705 176.723 176.000 0.029 0.000 0.691 355 Q CA 1.420 57.247 55.803 0.039 0.000 1.340 355 Q CB -2.867 25.888 28.738 0.028 0.000 1.498 355 Q HN 0.631 nan 8.270 nan 0.000 0.739 356 V N 0.000 119.931 119.914 0.029 0.000 2.409 356 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 356 V CA 0.000 62.313 62.300 0.022 0.000 1.235 356 V CB 0.000 31.836 31.823 0.021 0.000 1.184 356 V HN 0.000 nan 8.190 nan 0.000 0.556