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 2bhy_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVXTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE XPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLXALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGX GLDYAEPHXR RYVTGNARXW DATA SEQUENCE LRDYHFDGLR LDATPYXTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP XTPLLFQGQE WAASTPFQFF SDHAGELGQA DATA SEQUENCE VSEGRKKEFX XXXXXXXXDV PDPQAEQTFL NSKLNWAERE GGEHARTLRL DATA SEQUENCE YRDLLRLRRE DPVLHNRQRE NLTTGHDGDV LWVRTVTGAG ERVLLWNLGQ DATA SEQUENCE DTRAVAEVKL PFTVPRRLLL HTEGREDLTL GAGEAVLVG 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.643 174.600 0.072 0.000 1.055 14 S CA 0.000 58.229 58.200 0.049 0.000 1.107 14 S CB 0.000 63.218 63.200 0.031 0.000 0.593 15 F N 4.086 124.046 119.950 0.015 0.000 2.538 15 F HA 0.526 5.053 4.527 -0.000 0.000 0.371 15 F C 0.288 176.102 175.800 0.024 0.000 1.087 15 F CA 0.594 58.609 58.000 0.024 0.000 1.250 15 F CB 0.604 39.629 39.000 0.041 0.000 1.110 15 F HN 0.297 nan 8.300 nan 0.000 0.570 16 Q N 4.470 123.729 119.800 -0.902 0.000 2.331 16 Q HA 0.196 4.536 4.340 -0.000 0.000 0.267 16 Q C -0.141 175.258 176.000 -1.000 0.000 1.006 16 Q CA -0.947 54.462 55.803 -0.656 0.000 0.818 16 Q CB 1.859 30.384 28.738 -0.354 0.000 1.276 16 Q HN 0.768 nan 8.270 nan 0.000 0.450 17 T N 1.163 115.455 114.554 -0.438 0.000 2.937 17 T HA -0.061 4.289 4.350 -0.000 0.000 0.316 17 T C 0.894 175.495 174.700 -0.164 0.000 1.079 17 T CA 0.580 62.603 62.100 -0.128 0.000 1.131 17 T CB 0.566 69.523 68.868 0.148 0.000 1.000 17 T HN 0.591 nan 8.240 nan 0.000 0.549 18 Q N 1.689 121.420 119.800 -0.115 0.000 2.444 18 Q HA 0.047 4.387 4.340 -0.000 0.000 0.206 18 Q C 0.106 175.926 176.000 -0.300 0.000 0.948 18 Q CA 0.450 56.117 55.803 -0.228 0.000 0.946 18 Q CB 0.180 28.758 28.738 -0.266 0.000 1.027 18 Q HN 0.643 nan 8.270 nan 0.000 0.513 19 H N 0.339 119.414 119.070 0.008 0.000 2.458 19 H HA 0.280 4.835 4.556 -0.000 0.000 0.330 19 H C -0.886 174.445 175.328 0.006 0.000 1.111 19 H CA -0.241 55.819 56.048 0.021 0.000 1.245 19 H CB 1.461 31.254 29.762 0.052 0.000 1.456 19 H HN -0.011 nan 8.280 nan 0.000 0.488 20 D N 3.508 123.975 120.400 0.112 0.000 2.863 20 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 20 D C -2.126 174.211 176.300 0.062 0.000 1.211 20 D CA -2.291 51.745 54.000 0.061 0.000 0.888 20 D CB 2.524 43.334 40.800 0.015 0.000 1.483 20 D HN 0.095 nan 8.370 nan 0.000 0.533 21 P HA -0.064 nan 4.420 nan 0.000 0.217 21 P C 1.091 178.402 177.300 0.019 0.000 1.148 21 P CA 0.999 64.123 63.100 0.040 0.000 0.828 21 P CB 0.313 32.035 31.700 0.037 0.000 0.783 22 R N -0.975 119.533 120.500 0.012 0.000 2.189 22 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 22 R C 1.341 177.638 176.300 -0.005 0.000 1.092 22 R CA 1.721 57.821 56.100 -0.000 0.000 0.989 22 R CB -0.626 29.673 30.300 -0.002 0.000 0.876 22 R HN 0.322 nan 8.270 nan 0.000 0.457 23 T N -2.948 111.606 114.554 0.000 0.000 3.182 23 T HA 0.184 4.534 4.350 -0.000 0.000 0.277 23 T C 0.422 175.117 174.700 -0.007 0.000 1.013 23 T CA -0.569 61.527 62.100 -0.006 0.000 0.900 23 T CB 0.156 69.016 68.868 -0.013 0.000 1.098 23 T HN -0.006 nan 8.240 nan 0.000 0.543 24 R N 1.820 122.321 120.500 0.001 0.000 2.484 24 R HA 0.272 4.612 4.340 -0.000 0.000 0.293 24 R C -0.214 176.036 176.300 -0.083 0.000 1.023 24 R CA -0.266 55.831 56.100 -0.006 0.000 1.037 24 R CB 0.118 30.427 30.300 0.013 0.000 0.951 24 R HN 0.412 nan 8.270 nan 0.000 0.418 25 L N 4.568 125.669 121.223 -0.204 0.000 2.439 25 L HA 0.286 4.625 4.340 -0.000 0.000 0.269 25 L C 1.272 177.959 176.870 -0.305 0.000 1.179 25 L CA 0.894 55.489 54.840 -0.409 0.000 0.828 25 L CB 0.856 42.329 42.059 -0.975 0.000 1.106 25 L HN 1.092 nan 8.230 nan 0.000 0.467 26 G N 1.838 110.595 108.800 -0.072 0.000 2.418 26 G HA2 0.054 4.014 3.960 -0.000 0.000 0.206 26 G HA3 0.054 4.014 3.960 -0.000 0.000 0.206 26 G C -1.011 173.988 174.900 0.165 0.000 1.202 26 G CA -0.234 44.993 45.100 0.212 0.000 1.061 26 G HN 1.010 nan 8.290 nan 0.000 0.563 27 A N -0.291 122.553 122.820 0.040 0.000 2.311 27 A HA 0.826 5.146 4.320 -0.000 0.000 0.306 27 A C -0.119 177.326 177.584 -0.230 0.000 1.189 27 A CA 0.654 52.491 52.037 -0.332 0.000 0.791 27 A CB 1.286 19.915 19.000 -0.619 0.000 1.172 27 A HN 1.519 nan 8.150 nan 0.000 0.481 28 T N 4.810 119.199 114.554 -0.275 0.000 2.840 28 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 28 T C -2.868 171.725 174.700 -0.179 0.000 0.991 28 T CA -1.095 60.921 62.100 -0.140 0.000 0.964 28 T CB 1.497 70.323 68.868 -0.070 0.000 0.954 28 T HN 0.382 nan 8.240 nan 0.000 0.438 29 P HA 0.131 nan 4.420 nan 0.000 0.265 29 P C -0.452 176.800 177.300 -0.080 0.000 1.187 29 P CA -0.162 62.870 63.100 -0.114 0.000 0.766 29 P CB 0.461 32.116 31.700 -0.075 0.000 0.820 30 L N 5.204 126.379 121.223 -0.080 0.000 2.399 30 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 30 L C -1.547 175.305 176.870 -0.029 0.000 1.114 30 L CA -1.994 52.815 54.840 -0.052 0.000 0.804 30 L CB 0.331 42.358 42.059 -0.053 0.000 1.146 30 L HN 0.312 nan 8.230 nan 0.000 0.451 31 P HA 0.107 nan 4.420 nan 0.000 0.272 31 P C 0.447 177.742 177.300 -0.008 0.000 1.240 31 P CA 0.002 63.097 63.100 -0.007 0.000 0.791 31 P CB 0.613 32.313 31.700 -0.001 0.000 0.978 32 G N -0.163 108.635 108.800 -0.004 0.000 2.179 32 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.257 32 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.257 32 G C 0.845 175.741 174.900 -0.006 0.000 1.010 32 G CA 0.639 45.737 45.100 -0.003 0.000 0.736 32 G HN 1.114 nan 8.290 nan 0.000 0.513 33 G N -1.428 107.367 108.800 -0.009 0.000 2.225 33 G HA2 0.062 4.022 3.960 -0.000 0.000 0.267 33 G HA3 0.062 4.022 3.960 -0.000 0.000 0.267 33 G C 1.309 176.201 174.900 -0.013 0.000 1.024 33 G CA 1.296 46.389 45.100 -0.011 0.000 0.784 33 G HN 2.150 nan 8.290 nan 0.000 0.507 34 A N -1.274 121.536 122.820 -0.016 0.000 2.167 34 A HA 0.590 4.910 4.320 -0.000 0.000 0.214 34 A C 2.265 179.835 177.584 -0.023 0.000 1.151 34 A CA 1.981 54.008 52.037 -0.016 0.000 0.735 34 A CB -0.129 18.862 19.000 -0.015 0.000 0.802 34 A HN 2.565 nan 8.150 nan 0.000 0.467 35 G N -2.216 106.563 108.800 -0.035 0.000 2.348 35 G HA2 0.155 4.115 3.960 -0.000 0.000 0.199 35 G HA3 0.155 4.115 3.960 -0.000 0.000 0.199 35 G C -0.313 174.526 174.900 -0.102 0.000 1.235 35 G CA -0.119 44.953 45.100 -0.047 0.000 1.264 35 G HN 0.724 nan 8.290 nan 0.000 0.543 36 T N 0.471 114.931 114.554 -0.158 0.000 2.912 36 T HA 0.654 5.004 4.350 -0.000 0.000 0.299 36 T C -0.442 174.010 174.700 -0.413 0.000 1.052 36 T CA -0.522 61.362 62.100 -0.360 0.000 0.996 36 T CB 2.177 70.692 68.868 -0.588 0.000 1.070 36 T HN 0.704 nan 8.240 nan 0.000 0.465 37 R N 2.285 122.541 120.500 -0.407 0.000 2.255 37 R HA 0.549 4.889 4.340 -0.000 0.000 0.326 37 R C -1.389 174.674 176.300 -0.395 0.000 0.986 37 R CA -0.520 55.421 56.100 -0.264 0.000 0.847 37 R CB 0.353 30.579 30.300 -0.122 0.000 1.111 37 R HN 0.456 nan 8.270 nan 0.000 0.452 38 F N 3.587 123.536 119.950 -0.002 0.000 2.420 38 F HA 0.523 5.050 4.527 -0.000 0.000 0.342 38 F C 0.477 176.326 175.800 0.083 0.000 1.113 38 F CA -0.467 57.578 58.000 0.075 0.000 1.059 38 F CB 1.521 40.619 39.000 0.164 0.000 1.128 38 F HN 0.313 nan 8.300 nan 0.000 0.475 39 R N 3.283 123.913 120.500 0.217 0.000 2.698 39 R HA 0.839 5.179 4.340 -0.000 0.000 0.275 39 R C -1.726 174.535 176.300 -0.064 0.000 1.001 39 R CA -1.126 55.012 56.100 0.063 0.000 0.896 39 R CB 2.607 32.912 30.300 0.009 0.000 1.218 39 R HN 0.611 nan 8.270 nan 0.000 0.462 40 L N -1.714 119.450 121.223 -0.097 0.000 2.479 40 L HA 0.729 5.069 4.340 -0.000 0.000 0.255 40 L C -1.627 175.307 176.870 0.108 0.000 1.026 40 L CA -0.821 53.943 54.840 -0.126 0.000 0.842 40 L CB 1.314 43.152 42.059 -0.368 0.000 1.444 40 L HN 0.681 nan 8.230 nan 0.000 0.409 41 W N 1.044 122.304 121.300 -0.066 0.000 2.475 41 W HA 0.791 5.450 4.660 -0.001 0.000 0.317 41 W C -1.056 175.515 176.519 0.087 0.000 1.046 41 W CA -0.404 56.908 57.345 -0.055 0.000 1.215 41 W CB 1.799 31.038 29.460 -0.368 0.000 1.335 41 W HN 0.883 nan 8.180 nan 0.000 0.471 42 T N 3.566 117.878 114.554 -0.402 0.000 2.921 42 T HA 0.312 4.662 4.350 -0.000 0.000 0.297 42 T C 0.675 175.032 174.700 -0.573 0.000 1.013 42 T CA 0.028 61.808 62.100 -0.534 0.000 0.990 42 T CB 1.244 69.974 68.868 -0.231 0.000 1.023 42 T HN 0.478 nan 8.240 nan 0.000 0.447 43 S N 2.114 117.411 115.700 -0.671 0.000 2.524 43 S HA 0.060 4.530 4.470 -0.000 0.000 0.216 43 S C 1.526 176.033 174.600 -0.155 0.000 0.987 43 S CA 0.856 58.862 58.200 -0.324 0.000 0.909 43 S CB -0.172 62.845 63.200 -0.304 0.000 0.781 43 S HN 0.884 nan 8.310 nan 0.000 0.521 44 T N -1.916 112.534 114.554 -0.175 0.000 2.969 44 T HA 0.580 4.930 4.350 -0.000 0.000 0.258 44 T C 0.622 175.256 174.700 -0.110 0.000 0.962 44 T CA 0.281 62.313 62.100 -0.113 0.000 0.903 44 T CB -0.145 68.657 68.868 -0.110 0.000 1.177 44 T HN 0.466 nan 8.240 nan 0.000 0.511 45 A N 1.741 124.467 122.820 -0.156 0.000 2.425 45 A HA 0.560 4.880 4.320 -0.000 0.000 0.249 45 A C 1.296 178.806 177.584 -0.122 0.000 1.084 45 A CA -0.509 51.425 52.037 -0.172 0.000 0.781 45 A CB 0.381 19.220 19.000 -0.269 0.000 1.019 45 A HN 0.431 nan 8.150 nan 0.000 0.490 46 R N 0.138 120.578 120.500 -0.099 0.000 2.175 46 R HA 0.063 4.403 4.340 -0.000 0.000 0.202 46 R C 0.192 176.455 176.300 -0.061 0.000 1.018 46 R CA 1.331 57.400 56.100 -0.052 0.000 1.029 46 R CB 0.065 30.343 30.300 -0.037 0.000 0.959 46 R HN 0.857 nan 8.270 nan 0.000 0.480 47 T N -1.432 113.060 114.554 -0.103 0.000 2.863 47 T HA 0.611 4.961 4.350 -0.000 0.000 0.285 47 T C -0.494 174.095 174.700 -0.186 0.000 1.009 47 T CA -0.726 61.312 62.100 -0.103 0.000 0.989 47 T CB 2.470 71.300 68.868 -0.063 0.000 1.004 47 T HN -0.202 nan 8.240 nan 0.000 0.455 48 V N 1.507 121.297 119.914 -0.206 0.000 2.612 48 V HA 0.850 4.970 4.120 -0.000 0.000 0.301 48 V C -0.116 175.919 176.094 -0.097 0.000 1.059 48 V CA -0.693 61.436 62.300 -0.284 0.000 0.886 48 V CB 1.089 32.456 31.823 -0.761 0.000 1.007 48 V HN 1.438 nan 8.190 nan 0.000 0.426 49 A N 3.627 126.436 122.820 -0.018 0.000 2.527 49 A HA 0.952 5.272 4.320 -0.000 0.000 0.293 49 A C -1.382 176.306 177.584 0.174 0.000 1.117 49 A CA -0.748 51.328 52.037 0.065 0.000 0.723 49 A CB 2.314 21.332 19.000 0.031 0.000 1.313 49 A HN 1.067 nan 8.150 nan 0.000 0.411 50 V N 0.845 120.855 119.914 0.160 0.000 2.513 50 V HA 0.696 4.815 4.120 -0.000 0.000 0.299 50 V C -0.168 175.929 176.094 0.005 0.000 1.035 50 V CA -0.763 61.599 62.300 0.103 0.000 0.889 50 V CB 1.495 33.254 31.823 -0.108 0.000 0.988 50 V HN 0.892 nan 8.190 nan 0.000 0.440 51 R N 5.044 125.516 120.500 -0.046 0.000 2.246 51 R HA 0.675 5.015 4.340 -0.000 0.000 0.332 51 R C -1.799 174.481 176.300 -0.033 0.000 0.974 51 R CA -0.381 55.700 56.100 -0.032 0.000 0.837 51 R CB 1.495 31.770 30.300 -0.043 0.000 1.145 51 R HN 0.613 nan 8.270 nan 0.000 0.467 52 V N 5.497 125.425 119.914 0.022 0.000 2.409 52 V HA 0.188 4.308 4.120 -0.000 0.000 0.291 52 V C -0.087 176.055 176.094 0.079 0.000 1.020 52 V CA -1.003 61.325 62.300 0.046 0.000 0.848 52 V CB 1.572 33.399 31.823 0.007 0.000 0.990 52 V HN 0.944 nan 8.190 nan 0.000 0.430 53 N N 4.096 122.839 118.700 0.072 0.000 2.716 53 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 53 N C 1.207 176.736 175.510 0.031 0.000 1.033 53 N CA 1.597 54.680 53.050 0.055 0.000 0.727 53 N CB -1.030 37.498 38.487 0.067 0.000 0.950 53 N HN 1.535 nan 8.380 nan 0.000 0.541 54 G N -2.861 105.946 108.800 0.012 0.000 2.195 54 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.246 54 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.246 54 G C 0.141 175.024 174.900 -0.028 0.000 0.984 54 G CA 0.557 45.651 45.100 -0.010 0.000 0.633 54 G HN 0.515 nan 8.290 nan 0.000 0.525 55 T N 1.784 116.323 114.554 -0.025 0.000 2.771 55 T HA 0.533 4.883 4.350 -0.000 0.000 0.281 55 T C -0.103 174.482 174.700 -0.190 0.000 0.982 55 T CA -0.412 61.622 62.100 -0.109 0.000 0.978 55 T CB 1.856 70.668 68.868 -0.094 0.000 0.930 55 T HN 0.342 nan 8.240 nan 0.000 0.447 56 E N 2.194 122.252 120.200 -0.238 0.000 2.331 56 E HA 0.291 4.641 4.350 -0.000 0.000 0.272 56 E C -0.782 175.578 176.600 -0.400 0.000 1.036 56 E CA -0.429 55.852 56.400 -0.198 0.000 0.864 56 E CB 0.678 30.313 29.700 -0.108 0.000 1.035 56 E HN 0.604 nan 8.360 nan 0.000 0.408 57 H N 0.082 119.136 119.070 -0.025 0.000 2.782 57 H HA 0.220 4.776 4.556 -0.000 0.000 0.347 57 H C -0.328 175.006 175.328 0.010 0.000 1.038 57 H CA -0.636 55.408 56.048 -0.008 0.000 1.255 57 H CB 1.125 30.878 29.762 -0.016 0.000 1.623 57 H HN 0.184 nan 8.280 nan 0.000 0.525 61 S N 2.384 117.994 115.700 -0.150 0.000 2.474 61 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 61 S C 0.975 175.378 174.600 -0.329 0.000 1.227 61 S CA -0.688 57.168 58.200 -0.574 0.000 1.050 61 S CB -0.052 62.927 63.200 -0.369 0.000 0.939 61 S HN 0.596 nan 8.310 nan 0.000 0.490 62 L N 4.684 125.700 121.223 -0.345 0.000 2.616 62 L HA 0.407 4.747 4.340 -0.000 0.000 0.229 62 L C 1.186 177.981 176.870 -0.126 0.000 1.110 62 L CA 0.181 54.921 54.840 -0.167 0.000 0.884 62 L CB -0.596 41.396 42.059 -0.113 0.000 1.115 62 L HN 0.936 nan 8.230 nan 0.000 0.481 63 G N -0.730 107.977 108.800 -0.154 0.000 2.663 63 G HA2 0.164 4.124 3.960 -0.000 0.000 0.686 63 G HA3 0.164 4.124 3.960 -0.000 0.000 0.686 63 G C 0.480 175.371 174.900 -0.015 0.000 1.246 63 G CA -0.475 44.584 45.100 -0.069 0.000 0.795 63 G HN 0.450 nan 8.290 nan 0.000 0.627 64 G N -0.772 108.054 108.800 0.044 0.000 2.168 64 G HA2 0.353 4.313 3.960 -0.000 0.000 0.257 64 G HA3 0.353 4.313 3.960 -0.000 0.000 0.257 64 G C 2.084 177.151 174.900 0.279 0.000 0.997 64 G CA 1.121 46.294 45.100 0.122 0.000 0.708 64 G HN 3.135 nan 8.290 nan 0.000 0.520 65 G N -1.560 107.373 108.800 0.223 0.000 2.155 65 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 65 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 65 G C 0.329 175.451 174.900 0.370 0.000 0.983 65 G CA 0.474 45.769 45.100 0.325 0.000 0.676 65 G HN 1.204 nan 8.290 nan 0.000 0.528 66 I N 0.398 121.061 120.570 0.156 0.000 2.395 66 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 66 I C 0.260 176.284 176.117 -0.155 0.000 1.023 66 I CA -0.987 60.378 61.300 0.110 0.000 1.350 66 I CB 0.389 38.418 38.000 0.048 0.000 1.409 66 I HN 0.080 nan 8.210 nan 0.000 0.507 67 Y N 3.708 124.025 120.300 0.028 0.000 2.499 67 Y HA 0.538 5.087 4.550 -0.000 0.000 0.347 67 Y C 0.192 176.096 175.900 0.007 0.000 0.987 67 Y CA -0.710 57.394 58.100 0.007 0.000 1.044 67 Y CB 2.246 40.693 38.460 -0.022 0.000 1.245 67 Y HN 0.534 nan 8.280 nan 0.000 0.461 68 E N 2.379 122.670 120.200 0.151 0.000 2.366 68 E HA 0.675 5.025 4.350 -0.000 0.000 0.278 68 E C -2.358 174.332 176.600 0.150 0.000 0.923 68 E CA -0.836 55.640 56.400 0.127 0.000 0.761 68 E CB 2.443 32.181 29.700 0.062 0.000 1.231 68 E HN 0.558 nan 8.360 nan 0.000 0.443 69 L N 2.287 123.625 121.223 0.192 0.000 2.505 69 L HA 0.431 4.771 4.340 -0.000 0.000 0.259 69 L C -1.741 175.253 176.870 0.206 0.000 0.952 69 L CA -0.151 54.796 54.840 0.178 0.000 0.840 69 L CB 2.231 44.395 42.059 0.175 0.000 1.358 69 L HN 0.605 nan 8.230 nan 0.000 0.409 70 E N 4.718 124.988 120.200 0.116 0.000 2.171 70 E HA 0.708 5.058 4.350 -0.000 0.000 0.271 70 E C -1.388 175.250 176.600 0.063 0.000 0.916 70 E CA -0.543 55.902 56.400 0.075 0.000 0.774 70 E CB 2.092 31.805 29.700 0.022 0.000 1.128 70 E HN 0.432 nan 8.360 nan 0.000 0.403 71 L N 3.277 124.547 121.223 0.079 0.000 2.371 71 L HA 0.379 4.719 4.340 -0.000 0.000 0.262 71 L C -2.176 174.706 176.870 0.020 0.000 1.006 71 L CA -2.286 52.568 54.840 0.025 0.000 0.818 71 L CB 2.380 44.434 42.059 -0.008 0.000 1.354 71 L HN 0.336 nan 8.230 nan 0.000 0.415 72 P HA -0.027 nan 4.420 nan 0.000 0.263 72 P C -0.146 177.163 177.300 0.015 0.000 1.386 72 P CA 0.160 63.263 63.100 0.006 0.000 0.797 72 P CB -0.281 31.424 31.700 0.008 0.000 1.381 73 V N -2.945 116.991 119.914 0.036 0.000 2.732 73 V HA 0.757 4.876 4.120 -0.000 0.000 0.297 73 V C 0.580 176.683 176.094 0.015 0.000 1.060 73 V CA -0.418 61.912 62.300 0.050 0.000 1.038 73 V CB 0.932 32.822 31.823 0.112 0.000 1.003 73 V HN 0.117 nan 8.190 nan 0.000 0.481 74 G N 2.877 111.686 108.800 0.013 0.000 2.887 74 G HA2 0.709 4.669 3.960 -0.000 0.000 0.277 74 G HA3 0.709 4.669 3.960 -0.000 0.000 0.277 74 G C -3.001 171.894 174.900 -0.008 0.000 1.346 74 G CA -1.914 43.178 45.100 -0.013 0.000 1.058 74 G HN 0.707 nan 8.290 nan 0.000 0.535 75 P HA 0.224 nan 4.420 nan 0.000 0.264 75 P C 0.865 178.170 177.300 0.008 0.000 1.183 75 P CA 1.653 64.738 63.100 -0.025 0.000 0.763 75 P CB 0.964 32.630 31.700 -0.057 0.000 0.807 76 G N 1.554 110.376 108.800 0.037 0.000 2.254 76 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.225 76 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.225 76 G C 0.455 175.412 174.900 0.094 0.000 1.003 76 G CA -0.034 45.102 45.100 0.061 0.000 0.622 76 G HN 0.843 nan 8.290 nan 0.000 0.507 77 A N 0.872 123.758 122.820 0.110 0.000 2.483 77 A HA 0.610 4.930 4.320 -0.000 0.000 0.238 77 A C 0.646 178.363 177.584 0.221 0.000 1.070 77 A CA 0.458 52.586 52.037 0.151 0.000 0.770 77 A CB 0.260 19.362 19.000 0.170 0.000 1.008 77 A HN 0.400 nan 8.150 nan 0.000 0.497 78 R N 0.578 121.190 120.500 0.186 0.000 2.460 78 R HA 0.580 4.920 4.340 -0.000 0.000 0.303 78 R C -1.167 175.243 176.300 0.183 0.000 0.968 78 R CA -0.220 55.970 56.100 0.149 0.000 0.889 78 R CB 1.083 31.415 30.300 0.054 0.000 1.123 78 R HN 0.854 nan 8.270 nan 0.000 0.455 79 Y N 0.022 120.298 120.300 -0.039 0.000 2.638 79 Y HA 0.714 5.264 4.550 -0.000 0.000 0.335 79 Y C -1.531 174.238 175.900 -0.218 0.000 1.155 79 Y CA -1.456 56.557 58.100 -0.146 0.000 1.046 79 Y CB 1.057 39.405 38.460 -0.187 0.000 1.303 79 Y HN 0.353 nan 8.280 nan 0.000 0.460 80 L N -0.915 120.124 121.223 -0.307 0.000 2.510 80 L HA 0.785 5.125 4.340 -0.000 0.000 0.252 80 L C -1.761 174.912 176.870 -0.329 0.000 1.091 80 L CA -1.396 53.205 54.840 -0.398 0.000 0.888 80 L CB 0.836 42.741 42.059 -0.257 0.000 1.507 80 L HN 0.586 nan 8.230 nan 0.000 0.407 81 F N -0.165 119.844 119.950 0.099 0.000 2.440 81 F HA 0.813 5.340 4.527 -0.000 0.000 0.328 81 F C 0.049 175.832 175.800 -0.030 0.000 1.070 81 F CA -0.991 57.058 58.000 0.083 0.000 1.011 81 F CB 2.102 41.235 39.000 0.221 0.000 1.226 81 F HN 0.207 nan 8.300 nan 0.000 0.491 82 V N 3.998 124.005 119.914 0.154 0.000 2.409 82 V HA 0.393 4.513 4.120 -0.000 0.000 0.290 82 V C -0.567 175.492 176.094 -0.058 0.000 1.017 82 V CA -0.674 61.631 62.300 0.008 0.000 0.841 82 V CB 1.382 33.202 31.823 -0.006 0.000 1.003 82 V HN 0.493 nan 8.190 nan 0.000 0.426 83 L N 4.209 125.357 121.223 -0.124 0.000 2.294 83 L HA 0.566 4.906 4.340 -0.000 0.000 0.283 83 L C 0.050 176.831 176.870 -0.148 0.000 1.015 83 L CA -0.625 54.099 54.840 -0.193 0.000 0.831 83 L CB 1.324 43.198 42.059 -0.310 0.000 1.217 83 L HN 0.603 nan 8.230 nan 0.000 0.420 84 D N 3.440 123.762 120.400 -0.131 0.000 2.701 84 D HA -0.211 4.429 4.640 -0.000 0.000 0.235 84 D C 1.207 177.462 176.300 -0.076 0.000 1.155 84 D CA 1.517 55.460 54.000 -0.095 0.000 0.649 84 D CB -0.749 39.996 40.800 -0.092 0.000 1.050 84 D HN 1.106 nan 8.370 nan 0.000 0.425 85 G N -2.308 106.449 108.800 -0.071 0.000 2.179 85 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 85 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 85 G C 0.355 175.220 174.900 -0.057 0.000 0.977 85 G CA 0.228 45.294 45.100 -0.056 0.000 0.641 85 G HN 0.627 nan 8.290 nan 0.000 0.533 86 V N 2.596 122.468 119.914 -0.070 0.000 2.364 86 V HA 0.445 4.565 4.120 -0.000 0.000 0.272 86 V C -1.783 174.264 176.094 -0.077 0.000 1.036 86 V CA -1.712 60.547 62.300 -0.069 0.000 0.880 86 V CB 1.514 33.294 31.823 -0.072 0.000 0.991 86 V HN 0.113 nan 8.190 nan 0.000 0.460 87 P HA 0.242 nan 4.420 nan 0.000 0.267 87 P C -0.378 176.847 177.300 -0.124 0.000 1.209 87 P CA 0.253 63.305 63.100 -0.079 0.000 0.763 87 P CB 0.367 32.023 31.700 -0.074 0.000 0.816 88 T N 5.007 119.482 114.554 -0.131 0.000 2.937 88 T HA 0.400 4.750 4.350 -0.000 0.000 0.297 88 T C -2.685 171.918 174.700 -0.161 0.000 0.991 88 T CA -1.632 60.332 62.100 -0.226 0.000 0.990 88 T CB 1.359 70.123 68.868 -0.173 0.000 0.991 88 T HN 0.101 nan 8.240 nan 0.000 0.440 89 P HA 0.098 nan 4.420 nan 0.000 0.268 89 P C -0.506 176.863 177.300 0.114 0.000 1.208 89 P CA -0.280 62.699 63.100 -0.201 0.000 0.777 89 P CB 0.449 31.978 31.700 -0.284 0.000 0.875 90 D N 2.718 123.181 120.400 0.104 0.000 2.336 90 D HA 0.115 4.755 4.640 -0.000 0.000 0.249 90 D C -1.626 174.807 176.300 0.222 0.000 1.213 90 D CA -2.154 52.033 54.000 0.312 0.000 0.870 90 D CB 0.334 41.328 40.800 0.322 0.000 1.076 90 D HN 0.104 nan 8.370 nan 0.000 0.483 91 P HA -0.110 nan 4.420 nan 0.000 0.221 91 P C 0.188 177.489 177.300 0.001 0.000 1.145 91 P CA 1.052 64.166 63.100 0.024 0.000 0.795 91 P CB -0.015 31.534 31.700 -0.251 0.000 0.775 92 Y N -1.100 119.276 120.300 0.126 0.000 2.493 92 Y HA 0.401 4.951 4.550 -0.000 0.000 0.275 92 Y C 1.214 177.126 175.900 0.021 0.000 1.183 92 Y CA -0.821 57.211 58.100 -0.114 0.000 1.258 92 Y CB -0.745 37.607 38.460 -0.180 0.000 1.108 92 Y HN -0.162 nan 8.280 nan 0.000 0.521 93 A N 0.777 123.749 122.820 0.253 0.000 2.565 93 A HA 0.064 4.384 4.320 -0.000 0.000 0.237 93 A C 1.231 178.992 177.584 0.294 0.000 1.053 93 A CA -0.179 52.009 52.037 0.252 0.000 0.755 93 A CB 0.455 19.537 19.000 0.136 0.000 0.980 93 A HN 0.339 nan 8.150 nan 0.000 0.506 94 R N 0.384 121.082 120.500 0.329 0.000 2.280 94 R HA 0.249 4.589 4.340 -0.000 0.000 0.195 94 R C -0.800 175.785 176.300 0.474 0.000 0.935 94 R CA 0.472 56.812 56.100 0.399 0.000 1.033 94 R CB -0.447 30.081 30.300 0.381 0.000 0.964 94 R HN 0.663 nan 8.270 nan 0.000 0.489 95 F N -0.722 119.333 119.950 0.175 0.000 2.690 95 F HA 0.342 4.869 4.527 -0.000 0.000 0.311 95 F C -1.607 174.234 175.800 0.069 0.000 1.111 95 F CA -1.151 56.930 58.000 0.135 0.000 1.003 95 F CB 1.197 40.267 39.000 0.117 0.000 1.283 95 F HN -0.233 nan 8.300 nan 0.000 0.442 96 L N 7.605 128.447 121.223 -0.634 0.000 2.488 96 L HA 0.355 4.695 4.340 -0.000 0.000 0.250 96 L C -1.896 174.555 176.870 -0.699 0.000 1.280 96 L CA -1.343 53.213 54.840 -0.473 0.000 0.929 96 L CB 1.428 43.337 42.059 -0.251 0.000 1.200 96 L HN 0.395 nan 8.230 nan 0.000 0.495 97 P HA -0.109 nan 4.420 nan 0.000 0.220 97 P C 0.324 177.463 177.300 -0.268 0.000 1.148 97 P CA 1.145 63.970 63.100 -0.458 0.000 0.803 97 P CB 0.330 31.971 31.700 -0.098 0.000 0.782 98 D N -0.869 119.403 120.400 -0.213 0.000 2.424 98 D HA 0.312 4.952 4.640 -0.000 0.000 0.220 98 D C 1.227 177.448 176.300 -0.133 0.000 1.150 98 D CA 0.441 54.358 54.000 -0.138 0.000 0.831 98 D CB 0.429 41.177 40.800 -0.086 0.000 0.981 98 D HN 0.113 nan 8.370 nan 0.000 0.500 99 G N 0.651 109.332 108.800 -0.197 0.000 2.685 99 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.387 99 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.387 99 G C 0.912 175.730 174.900 -0.138 0.000 1.324 99 G CA -0.291 44.711 45.100 -0.164 0.000 0.878 99 G HN 0.346 nan 8.290 nan 0.000 0.527 100 V N -2.965 116.855 119.914 -0.156 0.000 3.141 100 V HA 0.126 4.246 4.120 -0.000 0.000 0.265 100 V C 1.619 177.582 176.094 -0.218 0.000 1.126 100 V CA 2.237 64.429 62.300 -0.179 0.000 1.141 100 V CB -0.536 31.177 31.823 -0.182 0.000 0.743 100 V HN 0.768 nan 8.190 nan 0.000 0.492 101 H N 0.572 119.705 119.070 0.104 0.000 2.549 101 H HA 0.516 5.072 4.556 -0.000 0.000 0.279 101 H C 1.085 176.391 175.328 -0.036 0.000 1.018 101 H CA 0.544 56.647 56.048 0.092 0.000 1.175 101 H CB 0.686 30.520 29.762 0.121 0.000 1.485 101 H HN 0.603 nan 8.280 nan 0.000 0.543 102 G N 0.219 109.015 108.800 -0.006 0.000 2.705 102 G HA2 0.292 4.252 3.960 -0.000 0.000 0.299 102 G HA3 0.292 4.252 3.960 -0.000 0.000 0.299 102 G C -0.315 174.500 174.900 -0.142 0.000 1.315 102 G CA -0.661 44.399 45.100 -0.066 0.000 1.045 102 G HN 0.103 nan 8.290 nan 0.000 0.517 103 E N -0.399 119.708 120.200 -0.154 0.000 2.392 103 E HA 0.401 4.751 4.350 -0.000 0.000 0.264 103 E C 0.414 176.853 176.600 -0.270 0.000 1.024 103 E CA -0.140 56.123 56.400 -0.228 0.000 0.903 103 E CB 1.147 30.750 29.700 -0.162 0.000 0.963 103 E HN 0.534 nan 8.360 nan 0.000 0.432 104 A N 2.825 125.364 122.820 -0.468 0.000 2.287 104 A HA 0.210 4.530 4.320 -0.000 0.000 0.273 104 A C -0.058 177.415 177.584 -0.185 0.000 1.091 104 A CA -0.346 51.450 52.037 -0.401 0.000 0.817 104 A CB 0.714 19.322 19.000 -0.653 0.000 1.069 104 A HN 0.712 nan 8.150 nan 0.000 0.492 105 E N 0.568 120.819 120.200 0.085 0.000 2.183 105 E HA 0.503 4.853 4.350 -0.000 0.000 0.271 105 E C -1.254 175.543 176.600 0.329 0.000 0.919 105 E CA -0.687 55.852 56.400 0.231 0.000 0.781 105 E CB 1.508 31.368 29.700 0.267 0.000 1.140 105 E HN 0.401 nan 8.360 nan 0.000 0.402 106 V N 4.201 124.298 119.914 0.306 0.000 2.521 106 V HA 0.115 4.235 4.120 -0.000 0.000 0.286 106 V C -0.061 176.057 176.094 0.039 0.000 1.034 106 V CA -0.169 62.228 62.300 0.163 0.000 1.045 106 V CB 1.005 32.855 31.823 0.044 0.000 0.974 106 V HN 0.438 nan 8.190 nan 0.000 0.480 107 V N 3.952 123.834 119.914 -0.053 0.000 2.555 107 V HA 0.441 4.561 4.120 -0.000 0.000 0.302 107 V C -0.483 175.371 176.094 -0.399 0.000 1.038 107 V CA -0.655 61.489 62.300 -0.260 0.000 0.887 107 V CB 2.098 33.691 31.823 -0.383 0.000 0.991 107 V HN 0.898 nan 8.190 nan 0.000 0.434 108 D N 2.485 122.652 120.400 -0.389 0.000 2.381 108 D HA 0.398 5.038 4.640 -0.000 0.000 0.235 108 D C 0.207 176.294 176.300 -0.355 0.000 1.068 108 D CA -0.443 53.383 54.000 -0.290 0.000 0.832 108 D CB 1.290 42.013 40.800 -0.129 0.000 1.101 108 D HN 0.310 nan 8.370 nan 0.000 0.515 109 F N 1.500 121.447 119.950 -0.005 0.000 2.748 109 F HA 0.200 4.726 4.527 -0.000 0.000 0.299 109 F C 2.398 178.245 175.800 0.079 0.000 1.154 109 F CA 0.273 58.272 58.000 -0.003 0.000 1.446 109 F CB 0.241 39.227 39.000 -0.024 0.000 1.112 109 F HN 0.524 nan 8.300 nan 0.000 0.584 110 G N -1.195 107.711 108.800 0.176 0.000 2.880 110 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.209 110 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.209 110 G C 1.578 176.548 174.900 0.117 0.000 1.157 110 G CA 0.705 45.904 45.100 0.165 0.000 0.779 110 G HN 0.243 nan 8.290 nan 0.000 0.539 111 T N 0.638 115.233 114.554 0.069 0.000 2.809 111 T HA 0.062 4.412 4.350 -0.000 0.000 0.260 111 T C 0.779 175.481 174.700 0.003 0.000 1.039 111 T CA -0.168 61.944 62.100 0.020 0.000 1.141 111 T CB -0.151 68.708 68.868 -0.015 0.000 0.869 111 T HN 0.156 nan 8.240 nan 0.000 0.437 112 F N 3.434 123.298 119.950 -0.143 0.000 2.607 112 F HA 0.067 4.594 4.527 0.000 0.000 0.374 112 F C -0.104 175.513 175.800 -0.306 0.000 1.104 112 F CA -0.725 57.087 58.000 -0.312 0.000 1.296 112 F CB 0.348 39.014 39.000 -0.556 0.000 1.085 112 F HN -0.000 nan 8.300 nan 0.000 0.584 113 D N 6.967 126.722 120.400 -1.075 0.000 2.494 113 D HA 0.040 4.680 4.640 -0.000 0.000 0.217 113 D C -0.662 175.197 176.300 -0.735 0.000 1.153 113 D CA 0.096 53.701 54.000 -0.658 0.000 0.954 113 D CB -0.103 40.405 40.800 -0.486 0.000 1.034 113 D HN 0.422 nan 8.370 nan 0.000 0.518 114 W N 0.753 121.948 121.300 -0.175 0.000 2.181 114 W HA 0.085 4.745 4.660 -0.000 0.000 0.335 114 W C 1.771 178.299 176.519 0.015 0.000 1.310 114 W CA -0.252 57.121 57.345 0.047 0.000 1.226 114 W CB 0.695 30.254 29.460 0.166 0.000 1.155 114 W HN 0.219 nan 8.180 nan 0.000 0.565 115 T N -2.600 112.140 114.554 0.309 0.000 3.132 115 T HA -0.015 4.335 4.350 -0.000 0.000 0.274 115 T C 0.287 175.120 174.700 0.221 0.000 1.011 115 T CA -0.192 62.022 62.100 0.189 0.000 0.899 115 T CB -0.207 68.717 68.868 0.093 0.000 1.089 115 T HN 0.428 nan 8.240 nan 0.000 0.543 116 D N 0.976 121.572 120.400 0.326 0.000 2.587 116 D HA 0.402 5.041 4.640 -0.000 0.000 0.233 116 D C 1.454 177.860 176.300 0.178 0.000 1.213 116 D CA -0.260 53.909 54.000 0.282 0.000 0.827 116 D CB 0.152 41.204 40.800 0.419 0.000 1.006 116 D HN 0.368 nan 8.370 nan 0.000 0.490 117 A N 0.576 123.474 122.820 0.129 0.000 2.019 117 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 117 A C 1.448 178.992 177.584 -0.067 0.000 1.164 117 A CA 1.019 53.084 52.037 0.047 0.000 0.644 117 A CB -0.115 18.928 19.000 0.071 0.000 0.805 117 A HN 0.112 nan 8.150 nan 0.000 0.449 118 D N -1.796 118.575 120.400 -0.048 0.000 2.328 118 D HA 0.024 4.664 4.640 -0.000 0.000 0.221 118 D C 0.047 176.151 176.300 -0.327 0.000 1.072 118 D CA -0.141 53.778 54.000 -0.135 0.000 0.850 118 D CB -0.106 40.712 40.800 0.031 0.000 0.922 118 D HN 0.695 nan 8.370 nan 0.000 0.516 119 W N 1.103 122.101 121.300 -0.503 0.000 2.351 119 W HA 0.160 4.820 4.660 -0.000 0.000 0.311 119 W C -0.639 175.445 176.519 -0.724 0.000 1.168 119 W CA -0.199 56.840 57.345 -0.510 0.000 1.200 119 W CB 0.523 29.739 29.460 -0.407 0.000 1.221 119 W HN 0.016 nan 8.180 nan 0.000 0.519 120 H N 3.829 122.324 119.070 -0.958 0.000 2.549 120 H HA 0.349 4.904 4.556 -0.000 0.000 0.253 120 H C 0.929 175.694 175.328 -0.939 0.000 1.170 120 H CA 0.350 55.948 56.048 -0.749 0.000 0.943 120 H CB 0.359 29.856 29.762 -0.441 0.000 1.849 120 H HN 0.717 nan 8.280 nan 0.000 0.603 121 G N 0.777 108.656 108.800 -1.535 0.000 2.725 121 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 121 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 121 G C -0.817 173.648 174.900 -0.725 0.000 1.357 121 G CA -0.301 44.311 45.100 -0.814 0.000 0.866 121 G HN 0.405 nan 8.290 nan 0.000 0.548 122 I N -0.577 119.906 120.570 -0.146 0.000 2.692 122 I HA 0.564 4.734 4.170 -0.000 0.000 0.293 122 I C -0.016 176.141 176.117 0.066 0.000 1.200 122 I CA -1.101 60.197 61.300 -0.004 0.000 1.036 122 I CB 1.598 39.758 38.000 0.267 0.000 1.258 122 I HN 0.675 nan 8.210 nan 0.000 0.421 123 K N 5.169 125.570 120.400 0.002 0.000 2.237 123 K HA 0.169 4.489 4.320 -0.000 0.000 0.270 123 K C 0.593 177.207 176.600 0.024 0.000 1.015 123 K CA -0.524 55.770 56.287 0.012 0.000 0.949 123 K CB 1.261 33.740 32.500 -0.036 0.000 0.976 123 K HN 0.488 nan 8.250 nan 0.000 0.472 124 L N 3.192 124.441 121.223 0.042 0.000 2.042 124 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 124 L C 1.983 178.818 176.870 -0.059 0.000 1.076 124 L CA 2.028 56.876 54.840 0.014 0.000 0.749 124 L CB -0.703 41.392 42.059 0.060 0.000 0.893 124 L HN 0.870 nan 8.230 nan 0.000 0.432 125 A N -1.458 121.332 122.820 -0.051 0.000 2.125 125 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 125 A C 1.635 179.162 177.584 -0.096 0.000 1.156 125 A CA 1.712 53.706 52.037 -0.072 0.000 0.671 125 A CB -0.555 18.407 19.000 -0.062 0.000 0.794 125 A HN 0.560 nan 8.150 nan 0.000 0.459 126 D N -1.299 119.044 120.400 -0.096 0.000 2.369 126 D HA 0.138 4.778 4.640 -0.000 0.000 0.211 126 D C -0.218 176.001 176.300 -0.135 0.000 1.077 126 D CA 0.042 53.982 54.000 -0.100 0.000 0.842 126 D CB -0.106 40.652 40.800 -0.070 0.000 0.947 126 D HN 0.293 nan 8.370 nan 0.000 0.509 127 C N 1.326 120.485 119.300 -0.235 0.000 2.514 127 C HA 0.395 4.855 4.460 -0.000 0.000 0.392 127 C C 0.609 175.325 174.990 -0.456 0.000 1.294 127 C CA -0.618 58.115 59.018 -0.475 0.000 1.957 127 C CB 0.660 27.808 27.740 -0.988 0.000 2.541 127 C HN -0.036 nan 8.230 nan 0.000 0.569 128 V N 5.102 124.795 119.914 -0.368 0.000 2.349 128 V HA 0.338 4.458 4.120 -0.000 0.000 0.284 128 V C -0.364 175.625 176.094 -0.175 0.000 1.014 128 V CA -0.287 61.884 62.300 -0.216 0.000 0.826 128 V CB 0.434 32.220 31.823 -0.062 0.000 1.009 128 V HN 0.656 nan 8.190 nan 0.000 0.431 129 F N 3.828 123.781 119.950 0.005 0.000 2.389 129 F HA 0.462 4.989 4.527 0.000 0.000 0.337 129 F C -0.154 175.717 175.800 0.117 0.000 1.112 129 F CA -0.395 57.623 58.000 0.029 0.000 1.192 129 F CB 0.673 39.642 39.000 -0.052 0.000 1.185 129 F HN 0.472 nan 8.300 nan 0.000 0.552 130 Y N 2.191 122.624 120.300 0.221 0.000 2.327 130 Y HA 0.262 4.812 4.550 -0.000 0.000 0.325 130 Y C -0.463 175.466 175.900 0.048 0.000 0.999 130 Y CA -0.880 57.281 58.100 0.102 0.000 1.195 130 Y CB 0.908 39.418 38.460 0.084 0.000 1.132 130 Y HN 0.653 nan 8.280 nan 0.000 0.455 131 E N 5.783 125.862 120.200 -0.203 0.000 2.194 131 E HA 0.483 4.833 4.350 -0.000 0.000 0.284 131 E C -1.251 175.094 176.600 -0.426 0.000 1.035 131 E CA -0.596 55.718 56.400 -0.143 0.000 0.836 131 E CB 0.750 30.493 29.700 0.071 0.000 1.070 131 E HN 0.502 nan 8.360 nan 0.000 0.401 132 V N 2.442 122.194 119.914 -0.270 0.000 2.604 132 V HA 0.383 4.503 4.120 -0.000 0.000 0.305 132 V C -0.599 175.384 176.094 -0.185 0.000 1.043 132 V CA -0.921 61.152 62.300 -0.379 0.000 0.888 132 V CB 1.659 33.100 31.823 -0.636 0.000 0.995 132 V HN 0.736 nan 8.190 nan 0.000 0.429 133 H N 3.581 122.545 119.070 -0.176 0.000 2.597 133 H HA 0.431 4.987 4.556 -0.000 0.000 0.303 133 H C 0.402 175.785 175.328 0.092 0.000 1.057 133 H CA -0.167 55.903 56.048 0.035 0.000 1.261 133 H CB 2.150 32.057 29.762 0.241 0.000 1.397 133 H HN 0.645 nan 8.280 nan 0.000 0.461 134 V N 4.675 124.273 119.914 -0.526 0.000 2.392 134 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 134 V C 2.542 178.444 176.094 -0.321 0.000 1.059 134 V CA 2.189 64.182 62.300 -0.511 0.000 1.051 134 V CB -0.660 30.573 31.823 -0.983 0.000 0.658 134 V HN 0.930 nan 8.190 nan 0.000 0.455 135 G N -0.016 108.588 108.800 -0.327 0.000 2.422 135 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.218 135 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.218 135 G C 1.606 176.860 174.900 0.590 0.000 1.140 135 G CA 1.581 46.956 45.100 0.459 0.000 0.775 135 G HN 0.604 nan 8.290 nan 0.000 0.545 136 T N -3.020 111.953 114.554 0.699 0.000 3.001 136 T HA 0.175 4.525 4.350 -0.000 0.000 0.251 136 T C 1.848 176.791 174.700 0.404 0.000 1.040 136 T CA -0.057 62.319 62.100 0.459 0.000 0.985 136 T CB -0.127 69.092 68.868 0.585 0.000 1.011 136 T HN 0.049 nan 8.240 nan 0.000 0.509 137 F N 4.407 124.518 119.950 0.269 0.000 2.216 137 F HA 0.128 4.655 4.527 -0.000 0.000 0.300 137 F C 0.889 176.970 175.800 0.469 0.000 1.085 137 F CA 1.068 59.245 58.000 0.295 0.000 1.326 137 F CB -0.370 38.766 39.000 0.227 0.000 1.027 137 F HN 0.332 nan 8.300 nan 0.000 0.497 138 T N -4.189 110.538 114.554 0.288 0.000 2.883 138 T HA 0.393 4.742 4.350 -0.000 0.000 0.296 138 T C -2.022 172.760 174.700 0.137 0.000 1.117 138 T CA -1.861 60.337 62.100 0.164 0.000 1.006 138 T CB 1.563 70.436 68.868 0.009 0.000 1.191 138 T HN -0.346 nan 8.240 nan 0.000 0.508 139 P HA -0.099 nan 4.420 nan 0.000 0.215 139 P C 1.140 178.478 177.300 0.064 0.000 1.157 139 P CA 1.311 64.444 63.100 0.055 0.000 0.874 139 P CB 0.070 31.790 31.700 0.032 0.000 0.790 140 E N -1.220 119.014 120.200 0.057 0.000 2.110 140 E HA 0.040 4.390 4.350 -0.000 0.000 0.193 140 E C 1.409 178.082 176.600 0.122 0.000 0.988 140 E CA 1.197 57.639 56.400 0.071 0.000 0.804 140 E CB -0.924 28.800 29.700 0.040 0.000 0.745 140 E HN 0.237 nan 8.360 nan 0.000 0.458 141 G N 1.098 109.981 108.800 0.138 0.000 2.225 141 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 141 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 141 G C 0.206 175.165 174.900 0.099 0.000 1.060 141 G CA 0.582 45.796 45.100 0.190 0.000 0.833 141 G HN 0.427 nan 8.290 nan 0.000 0.498 142 T N -3.952 110.617 114.554 0.026 0.000 2.916 142 T HA 0.653 5.003 4.350 -0.000 0.000 0.292 142 T C 0.969 175.636 174.700 -0.056 0.000 1.064 142 T CA -0.317 61.738 62.100 -0.076 0.000 1.011 142 T CB 1.387 70.254 68.868 -0.001 0.000 1.152 142 T HN 0.161 nan 8.240 nan 0.000 0.510 143 Y N 0.127 120.470 120.300 0.072 0.000 2.181 143 Y HA -0.085 4.465 4.550 -0.000 0.000 0.288 143 Y C 3.016 178.942 175.900 0.043 0.000 1.146 143 Y CA 0.400 58.527 58.100 0.046 0.000 1.164 143 Y CB -0.199 38.292 38.460 0.051 0.000 0.982 143 Y HN 0.359 nan 8.280 nan 0.000 0.515 144 R N 0.377 120.985 120.500 0.181 0.000 2.081 144 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 144 R C 2.436 178.774 176.300 0.064 0.000 1.131 144 R CA 1.184 57.346 56.100 0.104 0.000 0.960 144 R CB -1.002 29.342 30.300 0.073 0.000 0.856 144 R HN 0.399 nan 8.270 nan 0.000 0.436 145 A N 0.978 123.830 122.820 0.054 0.000 1.930 145 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 145 A C 2.362 179.964 177.584 0.029 0.000 1.175 145 A CA 1.514 53.556 52.037 0.007 0.000 0.627 145 A CB -0.453 18.545 19.000 -0.003 0.000 0.815 145 A HN 0.323 nan 8.150 nan 0.000 0.443 146 A N 0.072 122.985 122.820 0.156 0.000 1.933 146 A HA 0.132 4.451 4.320 -0.000 0.000 0.218 146 A C 2.463 180.178 177.584 0.218 0.000 1.175 146 A CA 2.015 54.252 52.037 0.333 0.000 0.628 146 A CB -0.969 18.252 19.000 0.369 0.000 0.814 146 A HN 1.072 nan 8.150 nan 0.000 0.444 147 A N -0.400 122.492 122.820 0.120 0.000 1.978 147 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 147 A C 1.789 179.389 177.584 0.027 0.000 1.170 147 A CA 1.649 53.724 52.037 0.063 0.000 0.636 147 A CB -0.363 18.660 19.000 0.039 0.000 0.810 147 A HN 0.453 nan 8.150 nan 0.000 0.448 148 E N 0.103 120.297 120.200 -0.011 0.000 2.418 148 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 148 E C 1.068 177.604 176.600 -0.106 0.000 1.026 148 E CA 0.598 56.958 56.400 -0.068 0.000 0.862 148 E CB -0.074 29.559 29.700 -0.113 0.000 0.799 148 E HN 0.472 nan 8.360 nan 0.000 0.518 149 K N 0.318 120.668 120.400 -0.084 0.000 2.404 149 K HA 0.149 4.469 4.320 -0.000 0.000 0.194 149 K C 2.006 178.690 176.600 0.139 0.000 1.023 149 K CA -0.052 56.193 56.287 -0.069 0.000 1.094 149 K CB 0.192 32.599 32.500 -0.155 0.000 0.841 149 K HN 0.180 nan 8.250 nan 0.000 0.523 150 L N 1.058 122.339 121.223 0.096 0.000 2.056 150 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 150 L C -0.700 176.201 176.870 0.053 0.000 1.078 150 L CA 1.357 56.242 54.840 0.076 0.000 0.749 150 L CB -1.444 40.633 42.059 0.029 0.000 0.901 150 L HN 0.047 nan 8.230 nan 0.000 0.433 151 P HA -0.243 nan 4.420 nan 0.000 0.216 151 P C 1.386 178.719 177.300 0.054 0.000 1.150 151 P CA 1.335 64.456 63.100 0.034 0.000 0.837 151 P CB -0.100 31.616 31.700 0.026 0.000 0.786 152 Y N 0.602 120.897 120.300 -0.010 0.000 2.128 152 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 152 Y C 1.984 177.905 175.900 0.035 0.000 1.154 152 Y CA 1.584 59.699 58.100 0.025 0.000 1.149 152 Y CB -1.133 37.353 38.460 0.043 0.000 0.976 152 Y HN -0.199 nan 8.280 nan 0.000 0.505 153 L N 0.088 121.253 121.223 -0.097 0.000 2.093 153 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 153 L C 2.511 179.259 176.870 -0.203 0.000 1.085 153 L CA 1.694 56.381 54.840 -0.256 0.000 0.755 153 L CB -0.599 41.378 42.059 -0.137 0.000 0.904 153 L HN 0.129 nan 8.230 nan 0.000 0.435 154 K N 0.768 121.106 120.400 -0.103 0.000 2.026 154 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 154 K C 2.015 178.568 176.600 -0.079 0.000 1.048 154 K CA 1.639 57.888 56.287 -0.064 0.000 0.929 154 K CB -0.107 32.377 32.500 -0.026 0.000 0.713 154 K HN 0.062 nan 8.250 nan 0.000 0.439 155 E N 0.078 120.216 120.200 -0.102 0.000 2.150 155 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 155 E C 1.795 178.322 176.600 -0.123 0.000 0.985 155 E CA 0.859 57.208 56.400 -0.085 0.000 0.814 155 E CB -0.419 29.246 29.700 -0.058 0.000 0.752 155 E HN 0.294 nan 8.360 nan 0.000 0.466 156 L N -0.419 120.652 121.223 -0.254 0.000 2.043 156 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 156 L C 1.641 178.465 176.870 -0.077 0.000 1.075 156 L CA 2.495 57.201 54.840 -0.224 0.000 0.752 156 L CB -0.444 41.367 42.059 -0.413 0.000 0.891 156 L HN 0.355 nan 8.230 nan 0.000 0.432 157 G N -1.826 106.930 108.800 -0.073 0.000 2.175 157 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.182 157 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.182 157 G C 0.232 175.130 174.900 -0.005 0.000 1.003 157 G CA 0.115 45.202 45.100 -0.021 0.000 0.666 157 G HN 0.841 nan 8.290 nan 0.000 0.506 158 V N -0.811 119.093 119.914 -0.016 0.000 3.003 158 V HA 0.851 4.971 4.120 -0.000 0.000 0.305 158 V C 1.180 177.280 176.094 0.010 0.000 1.078 158 V CA 1.120 63.431 62.300 0.018 0.000 1.083 158 V CB 1.417 33.278 31.823 0.062 0.000 1.039 158 V HN 0.975 nan 8.190 nan 0.000 0.481 159 T N -1.655 112.910 114.554 0.017 0.000 3.004 159 T HA 0.654 5.004 4.350 -0.000 0.000 0.266 159 T C 0.330 175.095 174.700 0.108 0.000 0.986 159 T CA 0.449 62.576 62.100 0.046 0.000 0.902 159 T CB 0.266 69.147 68.868 0.023 0.000 1.118 159 T HN 1.774 nan 8.240 nan 0.000 0.522 160 A N 1.775 124.658 122.820 0.106 0.000 2.437 160 A HA 0.668 4.988 4.320 -0.000 0.000 0.293 160 A C -1.008 176.800 177.584 0.373 0.000 1.038 160 A CA -0.812 51.389 52.037 0.273 0.000 0.708 160 A CB 0.941 19.991 19.000 0.083 0.000 1.251 160 A HN 0.278 nan 8.150 nan 0.000 0.409 161 I N 1.881 122.692 120.570 0.402 0.000 2.371 161 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 161 I C 0.297 176.670 176.117 0.427 0.000 1.028 161 I CA -0.192 61.311 61.300 0.338 0.000 1.345 161 I CB 1.144 39.255 38.000 0.184 0.000 1.407 161 I HN 0.789 nan 8.210 nan 0.000 0.501 162 Q N 6.569 126.560 119.800 0.319 0.000 2.425 162 Q HA 0.477 4.817 4.340 -0.000 0.000 0.254 162 Q C -1.131 174.934 176.000 0.108 0.000 1.032 162 Q CA -0.334 55.609 55.803 0.233 0.000 0.798 162 Q CB 1.146 29.968 28.738 0.140 0.000 1.210 162 Q HN 0.492 nan 8.270 nan 0.000 0.491 166 L N -0.104 121.043 121.223 -0.126 0.000 2.664 166 L HA 0.461 4.801 4.340 -0.000 0.000 0.233 166 L C 0.956 177.980 176.870 0.257 0.000 1.113 166 L CA -0.172 54.760 54.840 0.153 0.000 0.896 166 L CB 0.166 42.279 42.059 0.091 0.000 1.163 166 L HN 0.561 nan 8.230 nan 0.000 0.497 167 A N 1.353 124.293 122.820 0.200 0.000 2.540 167 A HA 0.452 4.771 4.320 -0.000 0.000 0.239 167 A C 0.788 178.573 177.584 0.334 0.000 1.061 167 A CA 0.124 52.369 52.037 0.347 0.000 0.758 167 A CB 0.110 19.295 19.000 0.308 0.000 0.991 167 A HN 0.275 nan 8.150 nan 0.000 0.502 168 A N 2.127 125.136 122.820 0.315 0.000 2.546 168 A HA 0.500 4.820 4.320 -0.000 0.000 0.243 168 A C 0.017 177.732 177.584 0.218 0.000 1.063 168 A CA 0.350 52.499 52.037 0.188 0.000 0.757 168 A CB -0.648 18.432 19.000 0.133 0.000 0.991 168 A HN 1.486 nan 8.150 nan 0.000 0.503 169 F N -0.023 119.990 119.950 0.105 0.000 2.640 169 F HA 0.724 5.251 4.527 -0.000 0.000 0.324 169 F C -0.351 175.500 175.800 0.085 0.000 1.077 169 F CA -1.730 56.302 58.000 0.054 0.000 0.965 169 F CB 0.798 39.759 39.000 -0.066 0.000 1.351 169 F HN 0.409 nan 8.300 nan 0.000 0.487 170 D N 0.027 120.602 120.400 0.291 0.000 2.313 170 D HA 0.512 5.152 4.640 -0.000 0.000 0.247 170 D C 0.375 176.746 176.300 0.118 0.000 1.094 170 D CA 1.434 55.534 54.000 0.167 0.000 0.925 170 D CB 1.413 42.375 40.800 0.270 0.000 1.188 170 D HN 1.137 nan 8.370 nan 0.000 0.430 171 G N 2.048 110.894 108.800 0.076 0.000 2.710 171 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.668 171 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.668 171 G C 0.147 175.100 174.900 0.088 0.000 1.320 171 G CA -0.388 44.742 45.100 0.050 0.000 0.860 171 G HN 0.439 nan 8.290 nan 0.000 0.538 172 Q N 0.010 119.839 119.800 0.049 0.000 2.282 172 Q HA 0.132 4.472 4.340 -0.000 0.000 0.206 172 Q C 1.370 177.391 176.000 0.034 0.000 0.878 172 Q CA 1.097 56.911 55.803 0.019 0.000 0.944 172 Q CB 0.521 29.235 28.738 -0.039 0.000 1.100 172 Q HN 0.827 nan 8.270 nan 0.000 0.509 173 R N -1.722 118.815 120.500 0.062 0.000 2.692 173 R HA 0.775 5.115 4.340 -0.000 0.000 0.269 173 R C -0.675 175.809 176.300 0.307 0.000 1.030 173 R CA -0.446 55.676 56.100 0.036 0.000 0.882 173 R CB 0.836 30.600 30.300 -0.894 0.000 1.250 173 R HN -0.031 nan 8.270 nan 0.000 0.465 174 G N -0.469 108.616 108.800 0.475 0.000 2.355 174 G HA2 0.305 4.264 3.960 -0.000 0.000 0.296 174 G HA3 0.305 4.264 3.960 -0.000 0.000 0.296 174 G C -1.077 173.906 174.900 0.140 0.000 1.507 174 G CA -0.735 44.357 45.100 -0.013 0.000 0.823 174 G HN 0.427 nan 8.290 nan 0.000 0.569 175 W N 0.149 121.172 121.300 -0.463 0.000 2.402 175 W HA 0.285 4.945 4.660 0.000 0.000 0.286 175 W C 2.132 178.512 176.519 -0.232 0.000 1.221 175 W CA 2.048 59.285 57.345 -0.182 0.000 1.257 175 W CB -0.146 29.297 29.460 -0.029 0.000 1.120 175 W HN 1.804 nan 8.180 nan 0.000 0.551 176 G N -2.995 105.524 108.800 -0.469 0.000 2.255 176 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.196 176 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.196 176 G C 0.642 175.154 174.900 -0.646 0.000 0.998 176 G CA 0.035 44.746 45.100 -0.648 0.000 0.656 176 G HN 0.256 nan 8.290 nan 0.000 0.490 177 Y N 1.716 121.917 120.300 -0.165 0.000 2.578 177 Y HA 0.231 4.781 4.550 -0.000 0.000 0.297 177 Y C 1.656 177.547 175.900 -0.015 0.000 1.176 177 Y CA 0.847 58.881 58.100 -0.110 0.000 1.315 177 Y CB 0.303 38.726 38.460 -0.062 0.000 1.031 177 Y HN 0.153 nan 8.280 nan 0.000 0.524 178 D N -0.279 120.122 120.400 0.002 0.000 2.342 178 D HA 0.093 4.733 4.640 -0.000 0.000 0.221 178 D C 1.143 177.580 176.300 0.227 0.000 1.101 178 D CA 0.119 54.220 54.000 0.167 0.000 0.837 178 D CB -0.192 40.743 40.800 0.225 0.000 0.938 178 D HN 0.224 nan 8.370 nan 0.000 0.508 179 G N 0.454 109.346 108.800 0.152 0.000 2.257 179 G HA2 0.200 4.160 3.960 -0.000 0.000 0.235 179 G HA3 0.200 4.160 3.960 -0.000 0.000 0.235 179 G C 0.783 175.968 174.900 0.475 0.000 1.225 179 G CA 0.341 45.634 45.100 0.322 0.000 0.878 179 G HN 0.217 nan 8.290 nan 0.000 0.505 180 A N 1.871 125.000 122.820 0.514 0.000 2.140 180 A HA 0.706 5.026 4.320 -0.000 0.000 0.199 180 A C 1.322 179.198 177.584 0.486 0.000 1.416 180 A CA 1.053 53.398 52.037 0.513 0.000 1.018 180 A CB 0.420 19.611 19.000 0.319 0.000 1.117 180 A HN 1.757 nan 8.150 nan 0.000 0.480 181 A N 0.007 123.114 122.820 0.478 0.000 2.508 181 A HA 0.622 4.942 4.320 -0.000 0.000 0.336 181 A C 0.124 178.080 177.584 0.619 0.000 1.360 181 A CA -0.545 51.762 52.037 0.450 0.000 0.841 181 A CB -0.332 18.851 19.000 0.306 0.000 1.136 181 A HN 0.186 nan 8.150 nan 0.000 0.489 182 F N 0.367 120.607 119.950 0.482 0.000 2.365 182 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 182 F C 1.193 177.105 175.800 0.186 0.000 1.090 182 F CA 1.196 59.394 58.000 0.331 0.000 1.408 182 F CB -0.758 38.416 39.000 0.290 0.000 1.060 182 F HN 0.773 nan 8.300 nan 0.000 0.534 183 Y N -0.625 119.832 120.300 0.260 0.000 2.466 183 Y HA 0.419 4.969 4.550 -0.000 0.000 0.272 183 Y C 1.106 177.062 175.900 0.094 0.000 1.169 183 Y CA 0.022 58.129 58.100 0.011 0.000 1.285 183 Y CB -0.052 38.414 38.460 0.011 0.000 1.078 183 Y HN -0.109 nan 8.280 nan 0.000 0.523 184 A N 1.668 124.720 122.820 0.387 0.000 2.267 184 A HA 0.481 4.801 4.320 -0.000 0.000 0.315 184 A C -2.728 175.124 177.584 0.448 0.000 1.297 184 A CA -1.913 50.361 52.037 0.396 0.000 0.865 184 A CB 0.107 19.285 19.000 0.298 0.000 1.165 184 A HN -0.121 nan 8.150 nan 0.000 0.513 185 P HA 0.008 nan 4.420 nan 0.000 0.271 185 P C -0.580 177.024 177.300 0.506 0.000 1.216 185 P CA 0.142 63.592 63.100 0.584 0.000 0.771 185 P CB 0.144 32.187 31.700 0.572 0.000 0.864 186 Y N 3.548 123.961 120.300 0.188 0.000 2.745 186 Y HA 0.096 4.646 4.550 -0.000 0.000 0.335 186 Y C 1.565 177.385 175.900 -0.133 0.000 1.212 186 Y CA -0.088 57.905 58.100 -0.178 0.000 1.535 186 Y CB 0.004 38.131 38.460 -0.554 0.000 1.220 186 Y HN 0.566 nan 8.280 nan 0.000 0.531 187 A N 7.363 129.907 122.820 -0.460 0.000 1.933 187 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 187 A C -0.339 177.045 177.584 -0.333 0.000 1.175 187 A CA 1.349 53.238 52.037 -0.246 0.000 0.628 187 A CB -1.608 17.146 19.000 -0.408 0.000 0.814 187 A HN 0.727 nan 8.150 nan 0.000 0.444 188 P HA -0.146 nan 4.420 nan 0.000 0.221 188 P C 0.813 178.012 177.300 -0.168 0.000 1.145 188 P CA 0.982 63.799 63.100 -0.471 0.000 0.795 188 P CB -0.197 31.114 31.700 -0.649 0.000 0.775 189 Y N -1.250 118.872 120.300 -0.297 0.000 2.457 189 Y HA 0.174 4.724 4.550 -0.000 0.000 0.292 189 Y C 1.517 177.092 175.900 -0.542 0.000 1.125 189 Y CA -0.148 57.681 58.100 -0.451 0.000 1.254 189 Y CB 0.121 38.157 38.460 -0.706 0.000 1.012 189 Y HN -0.008 nan 8.280 nan 0.000 0.555 190 G N 0.105 108.895 108.800 -0.017 0.000 2.359 190 G HA2 0.069 4.029 3.960 -0.000 0.000 0.314 190 G HA3 0.069 4.029 3.960 -0.000 0.000 0.314 190 G C -1.438 173.639 174.900 0.294 0.000 1.364 190 G CA -1.206 43.988 45.100 0.156 0.000 0.978 190 G HN -0.019 nan 8.290 nan 0.000 0.615 191 R N 0.554 121.133 120.500 0.132 0.000 2.546 191 R HA 0.419 4.759 4.340 -0.000 0.000 0.266 191 R C -1.481 174.728 176.300 -0.151 0.000 1.086 191 R CA -1.295 54.663 56.100 -0.237 0.000 1.160 191 R CB 0.831 30.984 30.300 -0.245 0.000 1.138 191 R HN 0.250 nan 8.270 nan 0.000 0.567 192 P HA -0.275 nan 4.420 nan 0.000 0.216 192 P C 0.866 178.159 177.300 -0.011 0.000 1.153 192 P CA 1.585 64.694 63.100 0.016 0.000 0.858 192 P CB 0.051 31.731 31.700 -0.033 0.000 0.789 193 E N -0.219 119.902 120.200 -0.133 0.000 2.130 193 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 193 E C 1.254 177.760 176.600 -0.156 0.000 0.998 193 E CA 1.582 57.885 56.400 -0.162 0.000 0.806 193 E CB -0.904 28.773 29.700 -0.039 0.000 0.738 193 E HN 0.216 nan 8.360 nan 0.000 0.459 194 D N 0.650 121.034 120.400 -0.027 0.000 2.149 194 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 194 D C 1.190 177.472 176.300 -0.030 0.000 0.972 194 D CA 0.329 54.368 54.000 0.065 0.000 0.835 194 D CB -0.216 40.728 40.800 0.240 0.000 0.966 194 D HN 0.181 nan 8.370 nan 0.000 0.476 198 L N 1.145 122.281 121.223 -0.146 0.000 2.027 198 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 198 L C 2.157 178.905 176.870 -0.204 0.000 1.074 198 L CA 2.747 57.511 54.840 -0.126 0.000 0.745 198 L CB -0.523 41.466 42.059 -0.116 0.000 0.898 198 L HN 0.234 nan 8.230 nan 0.000 0.433 199 V N -0.071 119.667 119.914 -0.293 0.000 2.343 199 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 199 V C 2.329 178.190 176.094 -0.388 0.000 1.051 199 V CA 1.998 64.035 62.300 -0.438 0.000 1.036 199 V CB -0.810 30.744 31.823 -0.449 0.000 0.654 199 V HN 0.550 nan 8.190 nan 0.000 0.451 200 D N 0.156 120.529 120.400 -0.045 0.000 2.117 200 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 200 D C 2.126 178.429 176.300 0.004 0.000 0.987 200 D CA 1.502 55.587 54.000 0.142 0.000 0.829 200 D CB -0.157 40.791 40.800 0.247 0.000 0.961 200 D HN 0.375 nan 8.370 nan 0.000 0.460 201 A N 0.348 123.141 122.820 -0.046 0.000 1.933 201 A HA 0.031 4.350 4.320 -0.000 0.000 0.218 201 A C 2.335 179.865 177.584 -0.090 0.000 1.175 201 A CA 2.082 54.092 52.037 -0.045 0.000 0.628 201 A CB -1.008 17.971 19.000 -0.035 0.000 0.814 201 A HN 0.317 nan 8.150 nan 0.000 0.444 202 A N -0.654 122.062 122.820 -0.174 0.000 1.877 202 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 202 A C 1.924 179.353 177.584 -0.258 0.000 1.186 202 A CA 1.666 53.579 52.037 -0.207 0.000 0.620 202 A CB -1.067 17.772 19.000 -0.268 0.000 0.822 202 A HN 0.758 nan 8.150 nan 0.000 0.443 203 H N -1.666 117.146 119.070 -0.429 0.000 2.387 203 H HA -0.119 4.436 4.556 -0.000 0.000 0.299 203 H C 2.327 177.464 175.328 -0.318 0.000 1.090 203 H CA 1.262 56.888 56.048 -0.703 0.000 1.332 203 H CB 0.117 29.495 29.762 -0.639 0.000 1.386 203 H HN 0.399 nan 8.280 nan 0.000 0.516 204 R N 1.306 121.798 120.500 -0.014 0.000 2.189 204 R HA -0.034 4.306 4.340 -0.000 0.000 0.223 204 R C 1.495 177.802 176.300 0.012 0.000 1.092 204 R CA 0.778 56.895 56.100 0.028 0.000 0.989 204 R CB -0.226 30.095 30.300 0.035 0.000 0.876 204 R HN 0.328 nan 8.270 nan 0.000 0.457 205 L N -1.062 120.145 121.223 -0.027 0.000 2.592 205 L HA 0.310 4.650 4.340 -0.000 0.000 0.227 205 L C 0.909 177.780 176.870 0.001 0.000 1.127 205 L CA 0.384 55.217 54.840 -0.011 0.000 0.884 205 L CB 0.252 42.297 42.059 -0.022 0.000 1.065 205 L HN 0.500 nan 8.230 nan 0.000 0.457 206 G N 0.844 109.627 108.800 -0.028 0.000 2.137 206 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 206 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 206 G C -0.029 174.887 174.900 0.026 0.000 1.002 206 G CA -0.199 44.962 45.100 0.102 0.000 0.702 206 G HN 0.220 nan 8.290 nan 0.000 0.515 207 L N 0.637 121.739 121.223 -0.201 0.000 2.309 207 L HA 0.689 5.029 4.340 -0.000 0.000 0.282 207 L C 1.255 178.017 176.870 -0.179 0.000 1.036 207 L CA -0.526 54.263 54.840 -0.085 0.000 0.806 207 L CB 1.602 43.632 42.059 -0.048 0.000 1.220 207 L HN 0.194 nan 8.230 nan 0.000 0.429 208 G N 2.024 110.943 108.800 0.199 0.000 2.507 208 G HA2 0.519 4.478 3.960 -0.000 0.000 0.271 208 G HA3 0.519 4.478 3.960 -0.000 0.000 0.271 208 G C -0.747 174.348 174.900 0.326 0.000 1.189 208 G CA -0.276 45.066 45.100 0.402 0.000 0.859 208 G HN 0.336 nan 8.290 nan 0.000 0.542 209 V N 0.651 120.690 119.914 0.207 0.000 2.623 209 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 209 V C -1.046 175.167 176.094 0.198 0.000 1.054 209 V CA -0.611 61.813 62.300 0.207 0.000 0.882 209 V CB 1.302 33.059 31.823 -0.110 0.000 1.002 209 V HN 0.608 nan 8.190 nan 0.000 0.424 210 F N 4.189 124.376 119.950 0.395 0.000 2.546 210 F HA 0.785 5.312 4.527 -0.000 0.000 0.320 210 F C -0.403 175.431 175.800 0.058 0.000 1.076 210 F CA -0.887 57.283 58.000 0.283 0.000 0.928 210 F CB 2.148 41.291 39.000 0.238 0.000 1.189 210 F HN 0.354 nan 8.300 nan 0.000 0.465 211 L N 2.531 123.654 121.223 -0.167 0.000 2.362 211 L HA 0.481 4.820 4.340 -0.000 0.000 0.275 211 L C -0.873 175.700 176.870 -0.496 0.000 0.998 211 L CA -0.448 54.028 54.840 -0.607 0.000 0.820 211 L CB 1.329 42.475 42.059 -1.522 0.000 1.270 211 L HN 0.446 nan 8.230 nan 0.000 0.415 212 D N 3.497 123.625 120.400 -0.452 0.000 2.343 212 D HA 0.367 5.007 4.640 -0.000 0.000 0.255 212 D C -0.716 175.228 176.300 -0.593 0.000 1.187 212 D CA 0.198 53.930 54.000 -0.446 0.000 0.875 212 D CB 0.958 41.550 40.800 -0.347 0.000 1.136 212 D HN 0.408 nan 8.370 nan 0.000 0.469 213 V N 1.366 120.895 119.914 -0.642 0.000 2.769 213 V HA 0.674 4.794 4.120 -0.000 0.000 0.312 213 V C -0.393 175.183 176.094 -0.864 0.000 1.061 213 V CA -0.895 60.900 62.300 -0.842 0.000 0.931 213 V CB 2.037 33.239 31.823 -1.035 0.000 1.010 213 V HN 0.185 nan 8.190 nan 0.000 0.433 214 V N 5.064 124.427 119.914 -0.920 0.000 2.305 214 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 214 V C -0.696 175.126 176.094 -0.453 0.000 1.020 214 V CA -0.122 61.801 62.300 -0.629 0.000 0.811 214 V CB 0.483 31.967 31.823 -0.565 0.000 1.031 214 V HN 0.928 nan 8.190 nan 0.000 0.439 215 Y N 2.810 123.035 120.300 -0.125 0.000 2.607 215 Y HA 0.165 4.715 4.550 -0.000 0.000 0.266 215 Y C 1.556 177.635 175.900 0.297 0.000 1.178 215 Y CA -1.144 57.034 58.100 0.130 0.000 1.226 215 Y CB -0.535 38.019 38.460 0.156 0.000 1.144 215 Y HN 0.807 nan 8.280 nan 0.000 0.528 216 N N -0.117 118.803 118.700 0.367 0.000 2.322 216 N HA 0.061 4.801 4.740 -0.000 0.000 0.181 216 N C 0.054 175.905 175.510 0.568 0.000 1.088 216 N CA 0.283 53.630 53.050 0.495 0.000 0.885 216 N CB 0.150 38.952 38.487 0.526 0.000 1.013 216 N HN 0.346 nan 8.380 nan 0.000 0.472 217 H N -3.355 115.924 119.070 0.348 0.000 3.037 217 H HA 0.478 5.034 4.556 -0.000 0.000 0.336 217 H C -1.784 173.707 175.328 0.273 0.000 1.323 217 H CA -1.301 54.968 56.048 0.368 0.000 1.159 217 H CB 0.298 30.296 29.762 0.393 0.000 1.882 217 H HN -0.148 nan 8.280 nan 0.000 0.535 218 F N 0.857 121.029 119.950 0.370 0.000 2.425 218 F HA 0.595 5.122 4.527 -0.000 0.000 0.331 218 F C 1.461 177.466 175.800 0.343 0.000 1.085 218 F CA 0.050 58.218 58.000 0.281 0.000 1.028 218 F CB 1.862 40.916 39.000 0.090 0.000 1.177 218 F HN 0.897 nan 8.300 nan 0.000 0.487 219 G N 1.654 110.730 108.800 0.459 0.000 2.667 219 G HA2 0.230 4.190 3.960 -0.000 0.000 0.250 219 G HA3 0.230 4.190 3.960 -0.000 0.000 0.250 219 G C -1.812 173.228 174.900 0.233 0.000 1.212 219 G CA -0.949 44.371 45.100 0.366 0.000 0.874 219 G HN 0.476 nan 8.290 nan 0.000 0.561 220 P HA 0.036 nan 4.420 nan 0.000 0.229 220 P C 0.532 177.828 177.300 -0.007 0.000 1.160 220 P CA 0.704 63.805 63.100 0.002 0.000 0.777 220 P CB 0.653 32.284 31.700 -0.115 0.000 0.814 221 S N -1.173 114.576 115.700 0.081 0.000 2.594 221 S HA 0.574 5.044 4.470 -0.000 0.000 0.296 221 S C 0.635 175.292 174.600 0.094 0.000 1.124 221 S CA 0.162 58.440 58.200 0.129 0.000 1.011 221 S CB 0.602 63.964 63.200 0.270 0.000 1.016 221 S HN 0.292 nan 8.310 nan 0.000 0.485 222 G N 3.784 112.564 108.800 -0.034 0.000 2.179 222 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 222 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 222 G C -0.152 174.707 174.900 -0.068 0.000 0.990 222 G CA 0.015 45.058 45.100 -0.094 0.000 0.646 222 G HN 0.868 nan 8.290 nan 0.000 0.517 223 N N 0.096 118.674 118.700 -0.204 0.000 2.500 223 N HA 0.517 5.257 4.740 -0.000 0.000 0.236 223 N C 0.333 175.634 175.510 -0.348 0.000 1.022 223 N CA -0.743 52.177 53.050 -0.217 0.000 0.935 223 N CB 0.103 38.447 38.487 -0.238 0.000 1.147 223 N HN 0.227 nan 8.380 nan 0.000 0.512 224 Y N 2.591 122.865 120.300 -0.043 0.000 2.524 224 Y HA 0.267 4.817 4.550 0.000 0.000 0.266 224 Y C 1.564 177.536 175.900 0.120 0.000 1.180 224 Y CA -0.192 57.948 58.100 0.066 0.000 1.244 224 Y CB 0.225 38.794 38.460 0.182 0.000 1.125 224 Y HN 0.486 nan 8.280 nan 0.000 0.524 225 L N -1.185 120.035 121.223 -0.006 0.000 2.042 225 L HA -0.290 4.049 4.340 -0.000 0.000 0.210 225 L C 2.567 179.581 176.870 0.241 0.000 1.076 225 L CA 1.716 56.501 54.840 -0.091 0.000 0.749 225 L CB -0.460 41.186 42.059 -0.688 0.000 0.893 225 L HN 0.186 nan 8.230 nan 0.000 0.432 226 S N -1.124 114.727 115.700 0.253 0.000 2.447 226 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 226 S C 2.110 176.789 174.600 0.132 0.000 1.006 226 S CA 1.248 59.590 58.200 0.237 0.000 0.957 226 S CB -0.057 63.219 63.200 0.126 0.000 0.773 226 S HN 0.401 nan 8.310 nan 0.000 0.507 227 S N 0.013 115.793 115.700 0.134 0.000 2.423 227 S HA -0.026 4.444 4.470 -0.000 0.000 0.231 227 S C 1.269 175.780 174.600 -0.147 0.000 1.014 227 S CA 1.091 59.290 58.200 -0.001 0.000 0.965 227 S CB -0.314 62.888 63.200 0.002 0.000 0.785 227 S HN 0.720 nan 8.310 nan 0.000 0.495 228 Y N 0.937 121.238 120.300 0.001 0.000 2.262 228 Y HA 0.417 4.966 4.550 -0.000 0.000 0.295 228 Y C 1.009 176.749 175.900 -0.266 0.000 1.121 228 Y CA 0.491 58.535 58.100 -0.095 0.000 1.144 228 Y CB 0.190 38.655 38.460 0.008 0.000 1.043 228 Y HN 0.213 nan 8.280 nan 0.000 0.528 229 A N -0.720 122.091 122.820 -0.016 0.000 2.509 229 A HA 0.421 4.741 4.320 -0.000 0.000 0.282 229 A C -2.437 175.149 177.584 0.003 0.000 1.054 229 A CA -1.144 50.721 52.037 -0.287 0.000 0.820 229 A CB 0.706 19.047 19.000 -1.099 0.000 1.333 229 A HN -0.065 nan 8.150 nan 0.000 0.409 230 P HA -0.169 nan 4.420 nan 0.000 0.219 230 P C 1.477 178.858 177.300 0.135 0.000 1.146 230 P CA 2.058 65.228 63.100 0.116 0.000 0.808 230 P CB 0.218 31.950 31.700 0.053 0.000 0.779 231 S N -3.145 112.588 115.700 0.055 0.000 2.607 231 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 231 S C 1.487 176.099 174.600 0.020 0.000 0.969 231 S CA 0.201 58.440 58.200 0.065 0.000 0.927 231 S CB -1.432 61.834 63.200 0.109 0.000 0.772 231 S HN 0.108 nan 8.310 nan 0.000 0.533 232 Y N 1.281 121.533 120.300 -0.080 0.000 2.333 232 Y HA 0.149 4.699 4.550 -0.000 0.000 0.290 232 Y C 0.551 175.986 175.900 -0.775 0.000 1.144 232 Y CA 0.538 58.369 58.100 -0.448 0.000 1.228 232 Y CB -0.233 37.712 38.460 -0.860 0.000 0.985 232 Y HN 0.293 nan 8.280 nan 0.000 0.542 233 F N -2.179 117.839 119.950 0.112 0.000 2.598 233 F HA 0.546 5.072 4.527 -0.000 0.000 0.327 233 F C 0.276 176.042 175.800 -0.057 0.000 1.057 233 F CA -1.330 56.673 58.000 0.005 0.000 0.957 233 F CB 1.554 40.547 39.000 -0.012 0.000 1.278 233 F HN -0.525 nan 8.300 nan 0.000 0.484 234 T N -0.601 113.978 114.554 0.041 0.000 2.900 234 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 234 T C -0.352 174.261 174.700 -0.145 0.000 1.044 234 T CA -0.691 61.344 62.100 -0.108 0.000 0.995 234 T CB 1.060 69.772 68.868 -0.260 0.000 1.072 234 T HN 0.685 nan 8.240 nan 0.000 0.473 235 D N 2.474 122.814 120.400 -0.101 0.000 2.325 235 D HA 0.059 4.699 4.640 -0.000 0.000 0.234 235 D C 1.371 177.611 176.300 -0.100 0.000 1.122 235 D CA -0.111 53.839 54.000 -0.084 0.000 0.850 235 D CB -0.015 40.761 40.800 -0.040 0.000 0.921 235 D HN 0.510 nan 8.370 nan 0.000 0.513 236 R N -0.387 119.994 120.500 -0.197 0.000 2.127 236 R HA 0.107 4.447 4.340 -0.000 0.000 0.217 236 R C -0.204 176.076 176.300 -0.032 0.000 1.074 236 R CA 0.649 56.669 56.100 -0.133 0.000 0.991 236 R CB 0.151 30.361 30.300 -0.150 0.000 0.895 236 R HN 0.241 nan 8.270 nan 0.000 0.450 237 F N -3.285 116.712 119.950 0.079 0.000 2.715 237 F HA 0.716 5.243 4.527 -0.000 0.000 0.318 237 F C -0.944 174.907 175.800 0.084 0.000 1.141 237 F CA -1.247 56.801 58.000 0.079 0.000 0.950 237 F CB 1.156 40.218 39.000 0.103 0.000 1.374 237 F HN -0.324 nan 8.300 nan 0.000 0.477 238 S N -1.042 114.906 115.700 0.414 0.000 2.672 238 S HA 0.606 5.076 4.470 -0.000 0.000 0.271 238 S C -1.644 173.068 174.600 0.187 0.000 1.171 238 S CA -0.974 57.397 58.200 0.285 0.000 0.817 238 S CB 1.609 64.869 63.200 0.099 0.000 1.150 238 S HN 0.678 nan 8.310 nan 0.000 0.478 239 S N 1.870 117.657 115.700 0.144 0.000 2.410 239 S HA 0.433 4.902 4.470 -0.000 0.000 0.304 239 S C 1.154 175.742 174.600 -0.020 0.000 1.095 239 S CA -0.264 58.023 58.200 0.145 0.000 1.089 239 S CB 1.073 64.448 63.200 0.292 0.000 0.968 239 S HN 0.856 nan 8.310 nan 0.000 0.480 240 A N 3.509 125.710 122.820 -1.031 0.000 2.266 240 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 240 A C 1.118 178.224 177.584 -0.797 0.000 1.178 240 A CA 1.328 52.783 52.037 -0.970 0.000 0.678 240 A CB -0.440 17.825 19.000 -1.225 0.000 0.789 240 A HN 0.932 nan 8.150 nan 0.000 0.486 241 W N -2.061 119.072 121.300 -0.278 0.000 2.868 241 W HA 0.441 5.102 4.660 0.001 0.000 0.320 241 W C 0.732 177.108 176.519 -0.238 0.000 1.076 241 W CA 0.413 57.520 57.345 -0.396 0.000 1.576 241 W CB -0.234 28.669 29.460 -0.929 0.000 1.030 241 W HN 0.456 nan 8.180 nan 0.000 0.558 245 L N 2.257 123.749 121.223 0.450 0.000 2.418 245 L HA 0.308 4.648 4.340 -0.000 0.000 0.274 245 L C 0.300 177.143 176.870 -0.045 0.000 1.135 245 L CA -0.381 54.576 54.840 0.195 0.000 0.870 245 L CB 1.116 43.219 42.059 0.072 0.000 1.154 245 L HN 0.514 nan 8.230 nan 0.000 0.462 246 D N 2.473 122.784 120.400 -0.148 0.000 2.453 246 D HA 0.032 4.672 4.640 -0.000 0.000 0.223 246 D C 0.423 176.687 176.300 -0.060 0.000 1.183 246 D CA -0.160 53.805 54.000 -0.059 0.000 0.933 246 D CB 0.298 41.067 40.800 -0.052 0.000 1.038 246 D HN 0.327 nan 8.370 nan 0.000 0.513 247 Y N 1.586 122.023 120.300 0.228 0.000 2.632 247 Y HA 0.094 4.644 4.550 -0.000 0.000 0.301 247 Y C 2.165 178.109 175.900 0.074 0.000 1.172 247 Y CA 0.287 58.464 58.100 0.128 0.000 1.328 247 Y CB -0.242 38.266 38.460 0.080 0.000 1.016 247 Y HN 0.516 nan 8.280 nan 0.000 0.529 248 A N -0.413 122.518 122.820 0.185 0.000 2.167 248 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 248 A C 0.858 178.476 177.584 0.057 0.000 1.151 248 A CA 0.420 52.523 52.037 0.109 0.000 0.735 248 A CB -0.255 18.802 19.000 0.095 0.000 0.802 248 A HN 0.181 nan 8.150 nan 0.000 0.467 249 E N 0.389 120.618 120.200 0.049 0.000 2.089 249 E HA 0.359 4.709 4.350 -0.000 0.000 0.284 249 E C -2.038 174.544 176.600 -0.031 0.000 1.023 249 E CA -2.803 53.590 56.400 -0.012 0.000 0.819 249 E CB 0.978 30.670 29.700 -0.013 0.000 1.076 249 E HN 0.051 nan 8.360 nan 0.000 0.396 250 P HA -0.164 nan 4.420 nan 0.000 0.216 250 P C 0.030 177.225 177.300 -0.175 0.000 1.150 250 P CA 1.197 64.197 63.100 -0.168 0.000 0.843 250 P CB 0.028 31.548 31.700 -0.299 0.000 0.787 254 R N 0.420 121.097 120.500 0.296 0.000 2.148 254 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 254 R C 1.774 178.385 176.300 0.519 0.000 1.088 254 R CA 1.472 57.782 56.100 0.350 0.000 0.985 254 R CB -0.157 30.252 30.300 0.182 0.000 0.880 254 R HN 0.170 nan 8.270 nan 0.000 0.451 255 Y N 1.358 121.932 120.300 0.456 0.000 2.128 255 Y HA -0.291 4.259 4.550 0.000 0.000 0.284 255 Y C 2.209 178.301 175.900 0.319 0.000 1.154 255 Y CA 1.936 60.330 58.100 0.489 0.000 1.149 255 Y CB -0.094 38.581 38.460 0.359 0.000 0.976 255 Y HN -0.080 nan 8.280 nan 0.000 0.505 256 V N -2.557 117.543 119.914 0.310 0.000 2.649 256 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 256 V C 2.135 178.076 176.094 -0.256 0.000 1.054 256 V CA 1.916 64.093 62.300 -0.206 0.000 1.073 256 V CB -1.470 30.033 31.823 -0.533 0.000 0.699 256 V HN 0.556 nan 8.190 nan 0.000 0.463 257 T N -1.270 113.293 114.554 0.015 0.000 2.857 257 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 257 T C 2.054 176.748 174.700 -0.010 0.000 1.048 257 T CA 1.474 63.611 62.100 0.061 0.000 1.139 257 T CB -0.982 68.014 68.868 0.213 0.000 0.874 257 T HN 0.639 nan 8.240 nan 0.000 0.455 258 G N 1.354 110.157 108.800 0.005 0.000 2.422 258 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 258 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 258 G C 1.644 176.462 174.900 -0.138 0.000 1.140 258 G CA 0.691 45.630 45.100 -0.269 0.000 0.775 258 G HN 0.615 nan 8.290 nan 0.000 0.545 259 N N 1.074 119.586 118.700 -0.313 0.000 2.106 259 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 259 N C 2.576 177.937 175.510 -0.248 0.000 1.029 259 N CA 1.224 53.850 53.050 -0.707 0.000 0.848 259 N CB -0.160 37.880 38.487 -0.746 0.000 1.007 259 N HN 0.219 nan 8.380 nan 0.000 0.423 260 A N 1.821 124.637 122.820 -0.007 0.000 1.908 260 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 260 A C 1.536 179.130 177.584 0.018 0.000 1.181 260 A CA 0.760 52.878 52.037 0.135 0.000 0.627 260 A CB -0.457 18.621 19.000 0.129 0.000 0.818 260 A HN 0.355 nan 8.150 nan 0.000 0.445 264 L N 0.884 122.244 121.223 0.229 0.000 2.023 264 L HA 0.006 4.346 4.340 -0.000 0.000 0.205 264 L C 2.552 179.427 176.870 0.010 0.000 1.073 264 L CA 1.669 56.514 54.840 0.008 0.000 0.745 264 L CB -0.708 41.084 42.059 -0.445 0.000 0.900 264 L HN -0.004 nan 8.230 nan 0.000 0.435 265 R N 0.159 120.639 120.500 -0.033 0.000 2.055 265 R HA -0.124 4.216 4.340 -0.000 0.000 0.226 265 R C 1.706 178.022 176.300 0.028 0.000 1.135 265 R CA 1.725 57.806 56.100 -0.032 0.000 0.959 265 R CB -0.023 30.244 30.300 -0.056 0.000 0.854 265 R HN 0.292 nan 8.270 nan 0.000 0.431 266 D N -0.812 119.548 120.400 -0.067 0.000 2.249 266 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 266 D C 0.978 177.188 176.300 -0.150 0.000 0.962 266 D CA 1.039 54.881 54.000 -0.263 0.000 0.860 266 D CB 0.136 40.321 40.800 -1.025 0.000 0.955 266 D HN 0.329 nan 8.370 nan 0.000 0.505 267 Y N -0.520 119.901 120.300 0.201 0.000 2.467 267 Y HA 0.174 4.724 4.550 -0.000 0.000 0.250 267 Y C 0.289 176.299 175.900 0.183 0.000 1.155 267 Y CA -0.041 58.252 58.100 0.321 0.000 1.249 267 Y CB -0.061 38.716 38.460 0.528 0.000 1.146 267 Y HN 0.092 nan 8.280 nan 0.000 0.524 268 H N -2.435 116.641 119.070 0.009 0.000 2.958 268 H HA -0.204 4.352 4.556 -0.000 0.000 0.274 268 H C -0.225 175.142 175.328 0.065 0.000 1.184 268 H CA -0.072 55.907 56.048 -0.113 0.000 1.143 268 H CB -1.892 27.537 29.762 -0.555 0.000 1.297 268 H HN 0.184 nan 8.280 nan 0.000 0.356 269 F N 1.246 121.325 119.950 0.215 0.000 2.595 269 F HA -0.077 4.450 4.527 0.000 0.000 0.359 269 F C 1.867 177.724 175.800 0.096 0.000 1.147 269 F CA 0.722 58.779 58.000 0.095 0.000 1.341 269 F CB 0.440 39.452 39.000 0.020 0.000 1.104 269 F HN 0.112 nan 8.300 nan 0.000 0.603 270 D N 0.963 121.427 120.400 0.107 0.000 2.354 270 D HA 0.200 4.840 4.640 -0.000 0.000 0.209 270 D C 0.816 176.989 176.300 -0.212 0.000 1.015 270 D CA 0.676 54.654 54.000 -0.035 0.000 0.867 270 D CB 0.545 41.236 40.800 -0.182 0.000 0.933 270 D HN 0.622 nan 8.370 nan 0.000 0.520 271 G N -0.031 108.581 108.800 -0.313 0.000 2.368 271 G HA2 0.480 4.440 3.960 -0.000 0.000 0.293 271 G HA3 0.480 4.440 3.960 -0.000 0.000 0.293 271 G C -1.949 173.022 174.900 0.119 0.000 1.467 271 G CA -0.808 44.314 45.100 0.036 0.000 0.804 271 G HN 0.011 nan 8.290 nan 0.000 0.535 272 L N 0.325 121.638 121.223 0.149 0.000 2.381 272 L HA 0.688 5.028 4.340 -0.000 0.000 0.268 272 L C 0.133 176.985 176.870 -0.029 0.000 0.997 272 L CA -1.051 53.773 54.840 -0.027 0.000 0.818 272 L CB 2.424 44.415 42.059 -0.113 0.000 1.310 272 L HN 0.521 nan 8.230 nan 0.000 0.416 273 R N 3.587 123.984 120.500 -0.172 0.000 2.246 273 R HA 0.485 4.825 4.340 -0.000 0.000 0.332 273 R C -1.396 174.674 176.300 -0.383 0.000 0.974 273 R CA -0.587 55.337 56.100 -0.295 0.000 0.837 273 R CB 0.773 30.839 30.300 -0.391 0.000 1.145 273 R HN 0.658 nan 8.270 nan 0.000 0.467 274 L N 4.370 125.392 121.223 -0.335 0.000 2.283 274 L HA 0.176 4.515 4.340 -0.000 0.000 0.287 274 L C 0.326 177.004 176.870 -0.320 0.000 1.073 274 L CA -0.532 54.115 54.840 -0.321 0.000 0.822 274 L CB 0.725 42.676 42.059 -0.180 0.000 1.186 274 L HN 0.554 nan 8.230 nan 0.000 0.436 275 D N 3.707 123.913 120.400 -0.323 0.000 2.455 275 D HA 0.264 4.904 4.640 -0.000 0.000 0.241 275 D C 0.783 177.016 176.300 -0.112 0.000 1.138 275 D CA 0.552 54.407 54.000 -0.240 0.000 0.877 275 D CB 0.906 41.594 40.800 -0.187 0.000 1.187 275 D HN 0.750 nan 8.370 nan 0.000 0.451 276 A N 2.957 125.746 122.820 -0.052 0.000 2.415 276 A HA -0.224 4.096 4.320 -0.000 0.000 0.292 276 A C 1.568 179.236 177.584 0.140 0.000 1.452 276 A CA 1.431 53.566 52.037 0.163 0.000 0.750 276 A CB -2.351 16.879 19.000 0.383 0.000 1.099 276 A HN 0.820 nan 8.150 nan 0.000 0.391 277 T N -2.562 111.971 114.554 -0.034 0.000 2.881 277 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 277 T C -0.276 174.320 174.700 -0.174 0.000 1.068 277 T CA 1.344 63.402 62.100 -0.069 0.000 1.131 277 T CB -1.038 67.765 68.868 -0.109 0.000 0.871 277 T HN 0.507 nan 8.240 nan 0.000 0.479 278 P HA 0.046 nan 4.420 nan 0.000 0.225 278 P C -0.205 176.679 177.300 -0.693 0.000 1.148 278 P CA 0.782 63.469 63.100 -0.687 0.000 0.779 278 P CB -0.137 30.871 31.700 -1.154 0.000 0.780 282 D N 1.194 121.554 120.400 -0.066 0.000 2.804 282 D HA 0.299 4.939 4.640 -0.000 0.000 0.209 282 D C -0.628 175.674 176.300 0.004 0.000 1.314 282 D CA -0.456 53.514 54.000 -0.051 0.000 0.894 282 D CB 1.390 41.945 40.800 -0.409 0.000 1.615 282 D HN 0.375 nan 8.370 nan 0.000 0.571 283 D N 1.468 121.911 120.400 0.071 0.000 2.363 283 D HA 0.086 4.726 4.640 -0.000 0.000 0.214 283 D C 0.097 176.438 176.300 0.067 0.000 1.093 283 D CA -0.033 54.016 54.000 0.081 0.000 0.837 283 D CB 0.545 41.401 40.800 0.093 0.000 0.948 283 D HN 0.184 nan 8.370 nan 0.000 0.507 284 S N 0.944 116.671 115.700 0.046 0.000 2.573 284 S HA -0.057 4.413 4.470 -0.000 0.000 0.277 284 S C 1.535 176.164 174.600 0.048 0.000 1.346 284 S CA -0.261 57.964 58.200 0.041 0.000 1.034 284 S CB 2.052 65.266 63.200 0.024 0.000 0.879 284 S HN 0.236 nan 8.310 nan 0.000 0.528 285 E N 1.315 121.542 120.200 0.045 0.000 2.049 285 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 285 E C -0.074 176.560 176.600 0.056 0.000 1.007 285 E CA 1.086 57.514 56.400 0.047 0.000 0.809 285 E CB 0.055 29.780 29.700 0.041 0.000 0.749 285 E HN 0.573 nan 8.360 nan 0.000 0.450 286 T N 0.330 114.917 114.554 0.054 0.000 2.743 286 T HA 0.154 4.504 4.350 -0.000 0.000 0.292 286 T C -0.735 174.001 174.700 0.059 0.000 0.972 286 T CA -0.269 61.869 62.100 0.064 0.000 0.967 286 T CB 0.843 69.751 68.868 0.065 0.000 0.926 286 T HN 0.204 nan 8.240 nan 0.000 0.459 287 H N 2.362 121.422 119.070 -0.017 0.000 2.790 287 H HA 0.147 4.703 4.556 -0.000 0.000 0.358 287 H C 1.386 176.672 175.328 -0.069 0.000 1.103 287 H CA -0.332 55.692 56.048 -0.040 0.000 1.426 287 H CB 0.459 30.184 29.762 -0.061 0.000 1.424 287 H HN 0.511 nan 8.280 nan 0.000 0.599 288 I N 3.902 124.238 120.570 -0.390 0.000 2.315 288 I HA -0.258 3.911 4.170 -0.000 0.000 0.251 288 I C 1.592 177.661 176.117 -0.080 0.000 1.125 288 I CA 1.419 62.546 61.300 -0.289 0.000 1.392 288 I CB -0.363 37.218 38.000 -0.698 0.000 1.065 288 I HN 0.742 nan 8.210 nan 0.000 0.424 289 L N -0.664 120.672 121.223 0.188 0.000 2.046 289 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 289 L C 2.388 179.269 176.870 0.018 0.000 1.077 289 L CA 1.866 56.761 54.840 0.092 0.000 0.747 289 L CB -1.171 40.926 42.059 0.063 0.000 0.896 289 L HN 0.205 nan 8.230 nan 0.000 0.432 290 T N -1.077 113.502 114.554 0.041 0.000 2.746 290 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 290 T C 1.784 176.457 174.700 -0.045 0.000 1.039 290 T CA 1.553 63.656 62.100 0.006 0.000 1.142 290 T CB -0.139 68.749 68.868 0.033 0.000 0.866 290 T HN 0.374 nan 8.240 nan 0.000 0.444 291 E N 0.341 120.518 120.200 -0.039 0.000 2.106 291 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 291 E C 2.131 178.674 176.600 -0.096 0.000 0.984 291 E CA 0.581 56.941 56.400 -0.067 0.000 0.806 291 E CB -0.139 29.567 29.700 0.010 0.000 0.750 291 E HN 0.240 nan 8.360 nan 0.000 0.458 292 L N 0.911 122.092 121.223 -0.070 0.000 2.046 292 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 292 L C 2.233 179.025 176.870 -0.131 0.000 1.077 292 L CA 2.248 57.051 54.840 -0.062 0.000 0.747 292 L CB -0.856 41.189 42.059 -0.023 0.000 0.896 292 L HN 0.166 nan 8.230 nan 0.000 0.432 293 A N -1.238 121.477 122.820 -0.174 0.000 1.902 293 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 293 A C 2.175 179.469 177.584 -0.484 0.000 1.181 293 A CA 1.751 53.581 52.037 -0.345 0.000 0.623 293 A CB -0.572 18.299 19.000 -0.215 0.000 0.818 293 A HN 0.644 nan 8.150 nan 0.000 0.443 294 Q N -0.662 118.907 119.800 -0.386 0.000 2.061 294 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 294 Q C 1.999 177.680 176.000 -0.532 0.000 0.984 294 Q CA 1.503 56.920 55.803 -0.644 0.000 0.846 294 Q CB -0.174 27.767 28.738 -1.328 0.000 0.902 294 Q HN 0.599 nan 8.270 nan 0.000 0.421 295 E N 0.394 120.418 120.200 -0.294 0.000 2.150 295 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 295 E C 1.976 178.599 176.600 0.038 0.000 0.985 295 E CA 0.816 57.251 56.400 0.058 0.000 0.814 295 E CB -0.008 29.781 29.700 0.148 0.000 0.752 295 E HN 0.439 nan 8.360 nan 0.000 0.466 296 I N 0.053 120.580 120.570 -0.072 0.000 2.233 296 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 296 I C 2.180 178.331 176.117 0.056 0.000 1.093 296 I CA 0.998 62.265 61.300 -0.054 0.000 1.380 296 I CB -0.390 37.538 38.000 -0.119 0.000 1.067 296 I HN 0.142 nan 8.210 nan 0.000 0.413 297 H N 0.049 119.136 119.070 0.029 0.000 2.426 297 H HA -0.206 4.350 4.556 -0.000 0.000 0.298 297 H C 2.133 177.504 175.328 0.071 0.000 1.107 297 H CA 1.043 57.113 56.048 0.036 0.000 1.298 297 H CB 0.085 29.828 29.762 -0.031 0.000 1.377 297 H HN 0.274 nan 8.280 nan 0.000 0.519 298 E N 1.393 121.723 120.200 0.217 0.000 2.204 298 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 298 E C 1.964 178.663 176.600 0.165 0.000 0.990 298 E CA 0.504 57.041 56.400 0.229 0.000 0.821 298 E CB -0.025 29.877 29.700 0.335 0.000 0.750 298 E HN 0.551 nan 8.360 nan 0.000 0.477 299 L N -0.359 120.957 121.223 0.156 0.000 2.353 299 L HA -0.076 4.264 4.340 -0.000 0.000 0.220 299 L C 1.554 178.504 176.870 0.132 0.000 1.133 299 L CA 0.798 55.720 54.840 0.137 0.000 0.798 299 L CB -0.482 41.661 42.059 0.141 0.000 0.922 299 L HN 0.297 nan 8.230 nan 0.000 0.445 300 G N -0.164 108.713 108.800 0.128 0.000 2.198 300 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.257 300 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.257 300 G C 0.338 175.242 174.900 0.006 0.000 1.042 300 G CA 0.060 45.195 45.100 0.059 0.000 0.791 300 G HN 0.556 nan 8.290 nan 0.000 0.502 301 G N -1.446 107.347 108.800 -0.012 0.000 3.122 301 G HA2 0.788 4.748 3.960 -0.000 0.000 0.180 301 G HA3 0.788 4.748 3.960 -0.000 0.000 0.180 301 G C 0.630 175.351 174.900 -0.299 0.000 1.279 301 G CA 0.758 45.702 45.100 -0.261 0.000 0.987 301 G HN 1.289 nan 8.290 nan 0.000 0.589 302 T N -1.949 112.306 114.554 -0.499 0.000 3.374 302 T HA 0.388 4.737 4.350 -0.000 0.000 0.267 302 T C -0.308 174.276 174.700 -0.193 0.000 0.996 302 T CA -0.379 61.564 62.100 -0.263 0.000 0.977 302 T CB -0.724 68.006 68.868 -0.229 0.000 1.149 302 T HN 0.429 nan 8.240 nan 0.000 0.517 303 H N 0.817 119.925 119.070 0.063 0.000 2.562 303 H HA 0.615 5.171 4.556 -0.000 0.000 0.352 303 H C 0.209 175.619 175.328 0.137 0.000 1.125 303 H CA -0.593 55.504 56.048 0.082 0.000 1.379 303 H CB 0.866 30.668 29.762 0.066 0.000 1.464 303 H HN 0.274 nan 8.280 nan 0.000 0.563 304 L N 2.163 123.581 121.223 0.324 0.000 2.313 304 L HA 0.472 4.812 4.340 -0.000 0.000 0.268 304 L C -0.930 176.104 176.870 0.273 0.000 1.010 304 L CA -1.074 53.960 54.840 0.324 0.000 0.814 304 L CB 1.301 43.643 42.059 0.471 0.000 1.304 304 L HN 0.310 nan 8.230 nan 0.000 0.441 305 L N 1.887 123.230 121.223 0.199 0.000 2.409 305 L HA 0.530 4.870 4.340 -0.000 0.000 0.272 305 L C -1.317 175.609 176.870 0.094 0.000 0.980 305 L CA -0.180 54.731 54.840 0.117 0.000 0.826 305 L CB 1.744 43.832 42.059 0.047 0.000 1.268 305 L HN 0.292 nan 8.230 nan 0.000 0.407 306 L N 4.243 125.494 121.223 0.047 0.000 2.333 306 L HA 0.696 5.036 4.340 -0.000 0.000 0.280 306 L C 0.062 176.869 176.870 -0.106 0.000 1.004 306 L CA -0.561 54.288 54.840 0.016 0.000 0.820 306 L CB 1.478 43.567 42.059 0.050 0.000 1.247 306 L HN 0.735 nan 8.230 nan 0.000 0.416 307 A N 3.060 125.835 122.820 -0.075 0.000 2.328 307 A HA 0.308 4.628 4.320 -0.000 0.000 0.284 307 A C 0.323 177.801 177.584 -0.176 0.000 1.160 307 A CA -0.425 51.532 52.037 -0.134 0.000 0.818 307 A CB 0.331 19.279 19.000 -0.088 0.000 1.087 307 A HN 0.736 nan 8.150 nan 0.000 0.504 308 E N 2.657 122.676 120.200 -0.301 0.000 1.941 308 E HA 0.120 4.470 4.350 -0.000 0.000 0.275 308 E C -1.281 175.247 176.600 -0.120 0.000 1.113 308 E CA -0.015 56.238 56.400 -0.246 0.000 0.878 308 E CB 0.269 29.732 29.700 -0.395 0.000 1.070 308 E HN 0.663 nan 8.360 nan 0.000 0.399 309 D N 2.849 123.210 120.400 -0.065 0.000 2.936 309 D HA 0.045 4.685 4.640 -0.000 0.000 0.238 309 D C 0.041 176.254 176.300 -0.145 0.000 1.248 309 D CA -0.463 53.432 54.000 -0.176 0.000 0.903 309 D CB 0.878 41.566 40.800 -0.186 0.000 1.544 309 D HN 0.669 nan 8.370 nan 0.000 0.543 310 H N 1.577 120.574 119.070 -0.122 0.000 2.551 310 H HA 0.313 4.869 4.556 -0.000 0.000 0.271 310 H C 0.979 176.145 175.328 -0.270 0.000 0.984 310 H CA 0.103 56.050 56.048 -0.169 0.000 1.164 310 H CB 0.120 29.788 29.762 -0.157 0.000 1.437 310 H HN 0.141 nan 8.280 nan 0.000 0.550 311 R N 0.480 120.795 120.500 -0.308 0.000 2.299 311 R HA 0.044 4.384 4.340 -0.000 0.000 0.197 311 R C -0.208 175.897 176.300 -0.324 0.000 0.971 311 R CA 0.248 56.209 56.100 -0.231 0.000 1.030 311 R CB -0.030 30.128 30.300 -0.235 0.000 0.932 311 R HN 0.220 nan 8.270 nan 0.000 0.477 312 N N 0.845 119.176 118.700 -0.616 0.000 2.696 312 N HA -0.185 4.555 4.740 -0.000 0.000 0.256 312 N C -1.433 173.652 175.510 -0.709 0.000 1.031 312 N CA 0.700 52.881 53.050 -1.447 0.000 0.730 312 N CB -0.870 36.625 38.487 -1.654 0.000 0.894 312 N HN 0.100 nan 8.380 nan 0.000 0.544 313 L N 0.317 121.345 121.223 -0.326 0.000 2.324 313 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 313 L C -1.741 175.167 176.870 0.062 0.000 1.012 313 L CA -1.733 53.047 54.840 -0.099 0.000 0.859 313 L CB 1.747 43.681 42.059 -0.208 0.000 1.224 313 L HN -0.151 nan 8.230 nan 0.000 0.429 314 P HA -0.051 nan 4.420 nan 0.000 0.222 314 P C 0.514 177.801 177.300 -0.022 0.000 1.147 314 P CA 0.865 64.048 63.100 0.139 0.000 0.790 314 P CB 0.335 32.113 31.700 0.130 0.000 0.780 315 D N -0.773 119.569 120.400 -0.096 0.000 2.228 315 D HA -0.138 4.502 4.640 -0.000 0.000 0.203 315 D C 1.818 178.019 176.300 -0.165 0.000 0.988 315 D CA 0.842 54.753 54.000 -0.148 0.000 0.864 315 D CB -0.709 39.974 40.800 -0.195 0.000 0.928 315 D HN 0.189 nan 8.370 nan 0.000 0.469 316 L N -0.281 120.858 121.223 -0.140 0.000 2.079 316 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 316 L C 2.298 179.101 176.870 -0.112 0.000 1.081 316 L CA 0.718 55.476 54.840 -0.137 0.000 0.752 316 L CB -0.251 41.746 42.059 -0.104 0.000 0.896 316 L HN 0.015 nan 8.230 nan 0.000 0.433 317 V N -0.945 118.917 119.914 -0.087 0.000 2.426 317 V HA -0.162 3.958 4.120 -0.000 0.000 0.242 317 V C 2.546 178.589 176.094 -0.085 0.000 1.036 317 V CA 2.032 64.294 62.300 -0.064 0.000 1.044 317 V CB -0.386 31.398 31.823 -0.065 0.000 0.688 317 V HN 0.621 nan 8.190 nan 0.000 0.462 318 T N -2.993 111.496 114.554 -0.109 0.000 3.067 318 T HA 0.044 4.394 4.350 -0.000 0.000 0.257 318 T C 1.460 176.022 174.700 -0.230 0.000 1.105 318 T CA 1.160 63.201 62.100 -0.098 0.000 1.104 318 T CB 0.520 69.352 68.868 -0.060 0.000 0.925 318 T HN 0.208 nan 8.240 nan 0.000 0.498 319 V N 1.313 121.025 119.914 -0.336 0.000 2.911 319 V HA 0.208 4.328 4.120 -0.000 0.000 0.237 319 V C 1.924 177.642 176.094 -0.627 0.000 1.156 319 V CA 0.645 62.692 62.300 -0.422 0.000 1.180 319 V CB -0.323 31.363 31.823 -0.230 0.000 0.932 319 V HN 0.367 nan 8.190 nan 0.000 0.483 320 N N -0.693 117.757 118.700 -0.417 0.000 2.463 320 N HA -0.002 4.738 4.740 -0.000 0.000 0.181 320 N C 0.088 175.491 175.510 -0.177 0.000 1.078 320 N CA 0.490 53.377 53.050 -0.271 0.000 0.902 320 N CB -0.072 38.308 38.487 -0.179 0.000 0.970 320 N HN 0.628 nan 8.380 nan 0.000 0.451 321 H N -1.406 117.658 119.070 -0.010 0.000 2.903 321 H HA -0.118 4.438 4.556 -0.000 0.000 0.285 321 H C -0.577 174.774 175.328 0.038 0.000 1.231 321 H CA -0.092 55.977 56.048 0.035 0.000 1.135 321 H CB -1.951 27.867 29.762 0.093 0.000 1.328 321 H HN 0.192 nan 8.280 nan 0.000 0.388 322 L N 0.253 121.509 121.223 0.054 0.000 2.466 322 L HA 0.083 4.423 4.340 -0.000 0.000 0.257 322 L C 1.439 178.346 176.870 0.063 0.000 1.189 322 L CA 0.009 54.875 54.840 0.043 0.000 0.813 322 L CB 0.425 42.481 42.059 -0.005 0.000 1.118 322 L HN 0.250 nan 8.230 nan 0.000 0.471 323 D N 0.115 120.561 120.400 0.076 0.000 2.301 323 D HA 0.168 4.808 4.640 -0.000 0.000 0.206 323 D C 0.630 176.957 176.300 0.045 0.000 0.979 323 D CA 0.630 54.678 54.000 0.080 0.000 0.874 323 D CB 1.129 42.005 40.800 0.128 0.000 0.968 323 D HN 0.706 nan 8.370 nan 0.000 0.510 324 G N 0.049 108.876 108.800 0.046 0.000 2.441 324 G HA2 0.527 4.487 3.960 -0.000 0.000 0.294 324 G HA3 0.527 4.487 3.960 -0.000 0.000 0.294 324 G C -1.879 173.062 174.900 0.070 0.000 1.393 324 G CA -0.746 44.372 45.100 0.030 0.000 0.796 324 G HN 0.001 nan 8.290 nan 0.000 0.494 325 I N -0.449 120.184 120.570 0.105 0.000 2.534 325 I HA 0.318 4.488 4.170 -0.000 0.000 0.288 325 I C -1.074 175.248 176.117 0.342 0.000 1.077 325 I CA -0.614 60.794 61.300 0.181 0.000 1.051 325 I CB 2.355 40.459 38.000 0.172 0.000 1.234 325 I HN 0.416 nan 8.210 nan 0.000 0.425 326 W N 4.837 126.165 121.300 0.046 0.000 2.565 326 W HA 0.254 4.914 4.660 -0.000 0.000 0.325 326 W C 0.854 177.453 176.519 0.133 0.000 1.408 326 W CA -0.259 57.129 57.345 0.071 0.000 1.350 326 W CB 0.441 29.899 29.460 -0.003 0.000 1.426 326 W HN 0.286 nan 8.180 nan 0.000 0.538 327 T N 3.049 117.846 114.554 0.405 0.000 2.786 327 T HA 0.203 4.553 4.350 -0.000 0.000 0.283 327 T C 0.577 175.439 174.700 0.271 0.000 0.992 327 T CA -0.650 61.698 62.100 0.414 0.000 0.954 327 T CB 0.812 70.113 68.868 0.722 0.000 0.934 327 T HN 0.285 nan 8.240 nan 0.000 0.440 328 D N 3.123 123.591 120.400 0.113 0.000 2.348 328 D HA 0.033 4.672 4.640 -0.000 0.000 0.211 328 D C 1.199 177.354 176.300 -0.243 0.000 0.998 328 D CA 0.262 54.150 54.000 -0.186 0.000 0.873 328 D CB 0.342 40.884 40.800 -0.430 0.000 0.925 328 D HN 0.623 nan 8.370 nan 0.000 0.524 329 D N 0.417 120.888 120.400 0.119 0.000 2.133 329 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 329 D C 1.728 178.058 176.300 0.050 0.000 0.997 329 D CA 0.563 54.714 54.000 0.252 0.000 0.840 329 D CB -0.395 40.726 40.800 0.535 0.000 0.947 329 D HN 0.223 nan 8.370 nan 0.000 0.452 330 F N 1.284 121.128 119.950 -0.177 0.000 2.069 330 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 330 F C 2.461 178.092 175.800 -0.281 0.000 1.113 330 F CA 1.811 59.573 58.000 -0.396 0.000 1.214 330 F CB -0.385 37.924 39.000 -1.151 0.000 0.978 330 F HN 0.097 nan 8.300 nan 0.000 0.474 331 H N -0.558 118.364 119.070 -0.247 0.000 2.319 331 H HA -0.207 4.349 4.556 -0.000 0.000 0.297 331 H C 2.202 177.418 175.328 -0.186 0.000 1.097 331 H CA 2.451 58.354 56.048 -0.240 0.000 1.285 331 H CB -0.630 29.016 29.762 -0.193 0.000 1.368 331 H HN 0.358 nan 8.280 nan 0.000 0.495 332 H N 0.296 119.287 119.070 -0.132 0.000 2.357 332 H HA -0.064 4.492 4.556 -0.000 0.000 0.301 332 H C 2.374 177.459 175.328 -0.406 0.000 1.082 332 H CA 1.371 57.290 56.048 -0.214 0.000 1.342 332 H CB -0.360 29.012 29.762 -0.651 0.000 1.389 332 H HN 0.447 nan 8.280 nan 0.000 0.511 333 E N 0.260 120.254 120.200 -0.344 0.000 2.077 333 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 333 E C 2.049 178.520 176.600 -0.216 0.000 0.989 333 E CA 1.687 57.988 56.400 -0.165 0.000 0.800 333 E CB 0.031 29.693 29.700 -0.063 0.000 0.746 333 E HN 0.326 nan 8.360 nan 0.000 0.452 334 T N -0.123 114.197 114.554 -0.390 0.000 2.737 334 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 334 T C 1.848 176.409 174.700 -0.232 0.000 1.038 334 T CA 1.351 63.246 62.100 -0.341 0.000 1.144 334 T CB -0.255 68.305 68.868 -0.513 0.000 0.866 334 T HN 0.162 nan 8.240 nan 0.000 0.434 335 R N 0.673 120.992 120.500 -0.301 0.000 2.073 335 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 335 R C 2.304 178.482 176.300 -0.204 0.000 1.134 335 R CA 1.280 57.230 56.100 -0.249 0.000 0.952 335 R CB -0.571 29.547 30.300 -0.305 0.000 0.850 335 R HN 0.211 nan 8.270 nan 0.000 0.433 336 V N 0.572 120.397 119.914 -0.150 0.000 2.407 336 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 336 V C 2.187 178.225 176.094 -0.093 0.000 1.055 336 V CA 2.289 64.532 62.300 -0.095 0.000 1.049 336 V CB -0.603 31.249 31.823 0.049 0.000 0.662 336 V HN 0.500 nan 8.190 nan 0.000 0.455 337 T N 0.582 115.072 114.554 -0.107 0.000 2.665 337 T HA -0.185 4.164 4.350 -0.000 0.000 0.268 337 T C 1.748 176.368 174.700 -0.133 0.000 1.035 337 T CA 1.730 63.748 62.100 -0.137 0.000 1.151 337 T CB -0.274 68.478 68.868 -0.194 0.000 0.862 337 T HN 0.348 nan 8.240 nan 0.000 0.438 338 L N 0.633 121.791 121.223 -0.108 0.000 2.375 338 L HA 0.079 4.419 4.340 -0.000 0.000 0.215 338 L C 2.663 179.495 176.870 -0.063 0.000 1.108 338 L CA 1.245 56.047 54.840 -0.063 0.000 0.830 338 L CB -0.377 41.689 42.059 0.011 0.000 0.959 338 L HN 0.440 nan 8.230 nan 0.000 0.457 339 T N -5.839 108.658 114.554 -0.095 0.000 2.955 339 T HA 0.248 4.598 4.350 -0.000 0.000 0.251 339 T C 1.500 176.143 174.700 -0.096 0.000 1.002 339 T CA 0.604 62.645 62.100 -0.098 0.000 0.970 339 T CB 0.958 69.742 68.868 -0.139 0.000 1.091 339 T HN 0.277 nan 8.240 nan 0.000 0.495 340 G N 2.595 111.336 108.800 -0.097 0.000 2.184 340 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 340 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 340 G C -0.063 174.791 174.900 -0.077 0.000 0.975 340 G CA 0.393 45.448 45.100 -0.075 0.000 0.642 340 G HN 1.112 nan 8.290 nan 0.000 0.536 341 E N -0.053 120.070 120.200 -0.127 0.000 2.404 341 E HA 0.434 4.784 4.350 -0.000 0.000 0.261 341 E C 0.254 176.820 176.600 -0.057 0.000 1.074 341 E CA 0.016 56.339 56.400 -0.129 0.000 0.917 341 E CB 0.552 30.112 29.700 -0.233 0.000 0.965 341 E HN 0.232 nan 8.360 nan 0.000 0.433 342 Q N 0.764 120.557 119.800 -0.011 0.000 2.064 342 Q HA 0.130 4.469 4.340 -0.000 0.000 0.213 342 Q C -0.801 175.214 176.000 0.025 0.000 0.779 342 Q CA -0.078 55.745 55.803 0.033 0.000 1.032 342 Q CB 0.960 29.696 28.738 -0.002 0.000 1.203 342 Q HN 0.540 nan 8.270 nan 0.000 0.457 343 E N 0.652 120.871 120.200 0.032 0.000 2.373 343 E HA 0.416 4.766 4.350 -0.000 0.000 0.263 343 E C 1.028 177.590 176.600 -0.063 0.000 1.073 343 E CA 0.653 57.050 56.400 -0.005 0.000 0.894 343 E CB 0.617 30.321 29.700 0.006 0.000 1.008 343 E HN 0.300 nan 8.360 nan 0.000 0.420 344 G N 2.309 111.039 108.800 -0.116 0.000 2.596 344 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.295 344 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.295 344 G C 0.786 175.558 174.900 -0.214 0.000 1.240 344 G CA 0.897 45.880 45.100 -0.195 0.000 0.985 344 G HN 0.691 nan 8.290 nan 0.000 0.555 345 Y N -1.031 119.177 120.300 -0.153 0.000 2.497 345 Y HA 0.248 4.798 4.550 -0.000 0.000 0.292 345 Y C 2.502 178.325 175.900 -0.130 0.000 1.137 345 Y CA 1.401 59.420 58.100 -0.135 0.000 1.285 345 Y CB -0.772 37.646 38.460 -0.070 0.000 0.991 345 Y HN 0.427 nan 8.280 nan 0.000 0.556 346 Y N 1.221 121.476 120.300 -0.075 0.000 2.403 346 Y HA -0.050 4.500 4.550 0.000 0.000 0.291 346 Y C 2.590 178.557 175.900 0.111 0.000 1.143 346 Y CA 0.465 58.624 58.100 0.098 0.000 1.257 346 Y CB -0.829 37.594 38.460 -0.060 0.000 0.984 346 Y HN 0.316 nan 8.280 nan 0.000 0.550 347 A N 0.026 122.875 122.820 0.047 0.000 2.178 347 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 347 A C 2.470 179.917 177.584 -0.228 0.000 1.157 347 A CA 1.316 53.304 52.037 -0.082 0.000 0.689 347 A CB -1.207 17.696 19.000 -0.161 0.000 0.787 347 A HN 0.444 nan 8.150 nan 0.000 0.465 348 G N -2.016 106.555 108.800 -0.381 0.000 2.776 348 G HA2 0.257 4.217 3.960 -0.000 0.000 0.209 348 G HA3 0.257 4.217 3.960 -0.000 0.000 0.209 348 G C 0.076 174.558 174.900 -0.698 0.000 1.145 348 G CA 0.290 44.914 45.100 -0.794 0.000 0.791 348 G HN 0.484 nan 8.290 nan 0.000 0.530 349 Y N -2.310 118.060 120.300 0.116 0.000 2.492 349 Y HA 0.478 5.028 4.550 -0.000 0.000 0.346 349 Y C 0.999 176.938 175.900 0.064 0.000 0.997 349 Y CA -1.232 56.960 58.100 0.152 0.000 1.025 349 Y CB 1.810 40.406 38.460 0.227 0.000 1.263 349 Y HN -0.150 nan 8.280 nan 0.000 0.454 350 R N 1.690 122.281 120.500 0.152 0.000 2.112 350 R HA 0.321 4.661 4.340 -0.000 0.000 0.216 350 R C 0.648 176.978 176.300 0.050 0.000 1.080 350 R CA 1.111 57.246 56.100 0.060 0.000 0.996 350 R CB -0.191 30.108 30.300 -0.002 0.000 0.902 350 R HN 1.065 nan 8.270 nan 0.000 0.449 351 G N -0.522 108.323 108.800 0.074 0.000 2.860 351 G HA2 0.145 4.104 3.960 -0.000 0.000 0.553 351 G HA3 0.145 4.104 3.960 -0.000 0.000 0.553 351 G C 0.051 174.914 174.900 -0.061 0.000 1.439 351 G CA -0.376 44.722 45.100 -0.002 0.000 0.879 351 G HN 0.931 nan 8.290 nan 0.000 0.545 352 G N -2.220 106.512 108.800 -0.113 0.000 2.555 352 G HA2 0.504 4.463 3.960 -0.000 0.000 0.686 352 G HA3 0.504 4.463 3.960 -0.000 0.000 0.686 352 G C 1.039 175.840 174.900 -0.164 0.000 1.275 352 G CA 0.864 45.874 45.100 -0.151 0.000 0.871 352 G HN 2.433 nan 8.290 nan 0.000 0.603 353 A N -0.269 122.444 122.820 -0.179 0.000 1.883 353 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 353 A C 2.163 179.641 177.584 -0.176 0.000 1.186 353 A CA 2.600 54.552 52.037 -0.142 0.000 0.624 353 A CB -0.622 18.338 19.000 -0.067 0.000 0.822 353 A HN 1.384 nan 8.150 nan 0.000 0.444 354 E N -0.075 119.895 120.200 -0.385 0.000 2.085 354 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 354 E C 2.042 178.526 176.600 -0.194 0.000 0.994 354 E CA 1.292 57.359 56.400 -0.556 0.000 0.801 354 E CB -0.308 28.888 29.700 -0.839 0.000 0.743 354 E HN 0.513 nan 8.360 nan 0.000 0.453 355 A N 0.925 123.664 122.820 -0.135 0.000 1.898 355 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 355 A C 2.222 179.837 177.584 0.052 0.000 1.181 355 A CA 1.053 53.076 52.037 -0.024 0.000 0.620 355 A CB -0.585 18.404 19.000 -0.018 0.000 0.819 355 A HN 0.324 nan 8.150 nan 0.000 0.442 356 L N -0.682 120.541 121.223 -0.000 0.000 2.046 356 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 356 L C 3.098 180.004 176.870 0.060 0.000 1.077 356 L CA 1.027 55.885 54.840 0.029 0.000 0.747 356 L CB -0.501 41.562 42.059 0.006 0.000 0.896 356 L HN 0.427 nan 8.230 nan 0.000 0.432 357 A N -0.744 122.082 122.820 0.011 0.000 1.908 357 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 357 A C 2.191 179.780 177.584 0.009 0.000 1.181 357 A CA 1.813 53.829 52.037 -0.035 0.000 0.627 357 A CB -0.920 18.016 19.000 -0.107 0.000 0.818 357 A HN 0.482 nan 8.150 nan 0.000 0.445 358 Y N 0.925 121.198 120.300 -0.044 0.000 2.133 358 Y HA -0.176 4.374 4.550 -0.000 0.000 0.287 358 Y C 2.756 178.664 175.900 0.015 0.000 1.134 358 Y CA 2.410 60.498 58.100 -0.020 0.000 1.133 358 Y CB -0.614 37.833 38.460 -0.022 0.000 0.987 358 Y HN 0.306 nan 8.280 nan 0.000 0.502 359 T N 1.168 115.834 114.554 0.187 0.000 2.746 359 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 359 T C 1.943 176.679 174.700 0.060 0.000 1.039 359 T CA 2.014 64.210 62.100 0.160 0.000 1.142 359 T CB -0.456 68.556 68.868 0.240 0.000 0.866 359 T HN 0.338 nan 8.240 nan 0.000 0.444 360 I N 1.375 121.992 120.570 0.079 0.000 2.179 360 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 360 I C 2.710 178.758 176.117 -0.115 0.000 1.088 360 I CA 1.404 62.740 61.300 0.061 0.000 1.357 360 I CB -0.379 37.689 38.000 0.113 0.000 1.051 360 I HN 0.254 nan 8.210 nan 0.000 0.409 361 R N 0.766 121.168 120.500 -0.164 0.000 2.237 361 R HA -0.043 4.297 4.340 -0.000 0.000 0.219 361 R C 1.710 177.835 176.300 -0.292 0.000 1.080 361 R CA 0.893 56.864 56.100 -0.215 0.000 0.995 361 R CB -0.105 30.078 30.300 -0.194 0.000 0.875 361 R HN 0.162 nan 8.270 nan 0.000 0.462 362 R N -0.119 120.162 120.500 -0.364 0.000 2.334 362 R HA 0.243 4.583 4.340 -0.000 0.000 0.212 362 R C 1.293 177.358 176.300 -0.393 0.000 0.897 362 R CA 0.596 56.488 56.100 -0.348 0.000 1.056 362 R CB 0.588 30.653 30.300 -0.392 0.000 1.046 362 R HN 0.540 nan 8.270 nan 0.000 0.513 363 G N 1.015 109.528 108.800 -0.479 0.000 3.444 363 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.222 363 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.222 363 G C -0.260 174.481 174.900 -0.266 0.000 1.358 363 G CA 0.524 45.039 45.100 -0.974 0.000 0.880 363 G HN 0.360 nan 8.290 nan 0.000 0.555 364 W N -0.379 120.970 121.300 0.082 0.000 2.902 364 W HA 0.892 5.552 4.660 0.000 0.000 0.346 364 W C 0.650 177.288 176.519 0.199 0.000 1.139 364 W CA -1.046 56.439 57.345 0.233 0.000 1.139 364 W CB 0.772 30.436 29.460 0.341 0.000 1.439 364 W HN 0.288 nan 8.180 nan 0.000 0.558 365 R N -0.057 120.799 120.500 0.593 0.000 2.062 365 R HA 0.082 4.422 4.340 -0.000 0.000 0.226 365 R C -0.266 176.205 176.300 0.285 0.000 1.125 365 R CA 0.697 57.049 56.100 0.420 0.000 0.966 365 R CB -0.395 30.114 30.300 0.347 0.000 0.861 365 R HN 0.542 nan 8.270 nan 0.000 0.433 366 Y N 1.539 122.030 120.300 0.318 0.000 2.504 366 Y HA 0.132 4.682 4.550 0.000 0.000 0.351 366 Y C 0.049 176.021 175.900 0.119 0.000 0.988 366 Y CA 0.002 58.189 58.100 0.144 0.000 1.239 366 Y CB 1.328 39.782 38.460 -0.010 0.000 1.128 366 Y HN 0.155 nan 8.280 nan 0.000 0.525 367 E N 2.262 122.622 120.200 0.267 0.000 2.685 367 E HA 0.271 4.621 4.350 -0.000 0.000 0.208 367 E C 1.098 177.774 176.600 0.126 0.000 0.996 367 E CA 0.236 56.803 56.400 0.277 0.000 1.054 367 E CB 0.671 30.569 29.700 0.329 0.000 1.075 367 E HN 1.030 nan 8.360 nan 0.000 0.460 368 G N 1.600 110.437 108.800 0.060 0.000 2.367 368 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.181 368 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.181 368 G C 0.362 175.306 174.900 0.073 0.000 1.000 368 G CA -0.343 44.758 45.100 0.000 0.000 0.693 368 G HN 0.216 nan 8.290 nan 0.000 0.480 369 Q N 0.533 120.414 119.800 0.136 0.000 2.396 369 Q HA 0.515 4.855 4.340 -0.000 0.000 0.221 369 Q C -0.298 175.867 176.000 0.275 0.000 1.025 369 Q CA -0.649 55.261 55.803 0.178 0.000 0.946 369 Q CB 0.924 29.731 28.738 0.116 0.000 1.224 369 Q HN 0.381 nan 8.270 nan 0.000 0.539 370 F N 1.961 121.981 119.950 0.116 0.000 2.538 370 F HA 0.120 4.646 4.527 -0.001 0.000 0.371 370 F C -0.347 175.579 175.800 0.209 0.000 1.087 370 F CA -0.338 57.722 58.000 0.100 0.000 1.250 370 F CB 0.434 39.464 39.000 0.051 0.000 1.110 370 F HN 0.553 nan 8.300 nan 0.000 0.570 371 W N 8.014 128.868 121.300 -0.742 0.000 2.308 371 W HA 0.525 5.184 4.660 -0.001 0.000 0.311 371 W C -0.773 175.225 176.519 -0.869 0.000 1.088 371 W CA -0.749 56.152 57.345 -0.739 0.000 1.309 371 W CB 1.599 30.504 29.460 -0.925 0.000 1.229 371 W HN 0.686 nan 8.180 nan 0.000 0.427 372 A N 5.651 128.058 122.820 -0.689 0.000 2.379 372 A HA 0.212 4.532 4.320 -0.000 0.000 0.236 372 A C 0.138 177.446 177.584 -0.461 0.000 1.272 372 A CA -0.129 51.656 52.037 -0.421 0.000 0.886 372 A CB -0.286 18.691 19.000 -0.038 0.000 0.962 372 A HN 0.298 nan 8.150 nan 0.000 0.504 373 V N 1.910 121.321 119.914 -0.838 0.000 2.493 373 V HA -0.024 4.096 4.120 -0.000 0.000 0.292 373 V C 0.631 176.548 176.094 -0.295 0.000 1.016 373 V CA 0.210 62.128 62.300 -0.636 0.000 1.097 373 V CB 0.192 31.474 31.823 -0.902 0.000 0.947 373 V HN 0.453 nan 8.190 nan 0.000 0.479 374 K N 3.825 124.116 120.400 -0.182 0.000 2.451 374 K HA 0.340 4.660 4.320 -0.000 0.000 0.280 374 K C 1.294 177.859 176.600 -0.060 0.000 1.020 374 K CA 0.878 57.111 56.287 -0.091 0.000 1.008 374 K CB 0.403 32.861 32.500 -0.069 0.000 0.917 374 K HN 1.063 nan 8.250 nan 0.000 0.478 375 G N 2.617 111.401 108.800 -0.027 0.000 2.225 375 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 375 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 375 G C 0.353 175.262 174.900 0.015 0.000 0.988 375 G CA 0.238 45.331 45.100 -0.012 0.000 0.625 375 G HN 0.718 nan 8.290 nan 0.000 0.527 376 E N 0.188 120.414 120.200 0.044 0.000 2.758 376 E HA 0.216 4.566 4.350 -0.000 0.000 0.215 376 E C -0.322 176.431 176.600 0.254 0.000 0.985 376 E CA -0.304 56.187 56.400 0.151 0.000 1.102 376 E CB 0.574 30.462 29.700 0.313 0.000 1.042 376 E HN 0.564 nan 8.360 nan 0.000 0.480 377 E N 2.781 123.040 120.200 0.098 0.000 2.366 377 E HA 0.032 4.381 4.350 -0.000 0.000 0.266 377 E C -0.001 176.673 176.600 0.123 0.000 1.015 377 E CA 0.579 56.959 56.400 -0.032 0.000 0.906 377 E CB 0.223 29.969 29.700 0.076 0.000 0.979 377 E HN 0.246 nan 8.360 nan 0.000 0.443 378 H N 0.469 119.374 119.070 -0.276 0.000 2.904 378 H HA 0.238 4.794 4.556 -0.000 0.000 0.290 378 H C -1.088 174.198 175.328 -0.069 0.000 1.437 378 H CA -1.052 54.965 56.048 -0.051 0.000 1.147 378 H CB 0.439 30.191 29.762 -0.017 0.000 1.824 378 H HN 0.410 nan 8.280 nan 0.000 0.505 379 E N 1.521 121.744 120.200 0.039 0.000 2.070 379 E HA 0.191 4.541 4.350 -0.000 0.000 0.282 379 E C -0.073 176.414 176.600 -0.189 0.000 1.104 379 E CA -0.308 56.089 56.400 -0.005 0.000 0.876 379 E CB 1.372 31.139 29.700 0.111 0.000 1.055 379 E HN 0.236 nan 8.360 nan 0.000 0.401 380 R N 2.688 122.979 120.500 -0.348 0.000 2.294 380 R HA 0.475 4.815 4.340 -0.000 0.000 0.319 380 R C 0.054 176.240 176.300 -0.190 0.000 0.984 380 R CA 0.282 56.138 56.100 -0.406 0.000 0.861 380 R CB 0.834 30.693 30.300 -0.736 0.000 1.104 380 R HN 0.705 nan 8.270 nan 0.000 0.451 381 G N 2.223 110.870 108.800 -0.257 0.000 2.655 381 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.680 381 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.680 381 G C -1.587 173.042 174.900 -0.451 0.000 1.302 381 G CA -0.755 44.188 45.100 -0.262 0.000 0.872 381 G HN 0.756 nan 8.290 nan 0.000 0.540 382 H N -0.454 118.670 119.070 0.090 0.000 2.980 382 H HA 0.603 5.159 4.556 -0.000 0.000 0.367 382 H C -2.504 173.050 175.328 0.376 0.000 1.206 382 H CA -1.265 54.901 56.048 0.196 0.000 1.126 382 H CB 1.908 31.762 29.762 0.154 0.000 1.838 382 H HN 0.532 nan 8.280 nan 0.000 0.552 383 P HA -0.050 nan 4.420 nan 0.000 0.262 383 P C 0.378 177.876 177.300 0.331 0.000 1.182 383 P CA 0.330 63.617 63.100 0.312 0.000 0.761 383 P CB 0.609 32.426 31.700 0.196 0.000 0.795 384 S N 0.545 116.369 115.700 0.208 0.000 2.575 384 S HA -0.018 4.452 4.470 -0.000 0.000 0.215 384 S C 0.954 175.534 174.600 -0.032 0.000 0.966 384 S CA 0.214 58.391 58.200 -0.039 0.000 0.911 384 S CB -0.696 62.238 63.200 -0.444 0.000 0.780 384 S HN 0.241 nan 8.310 nan 0.000 0.514 385 D N 3.210 123.622 120.400 0.020 0.000 2.158 385 D HA -0.074 4.566 4.640 -0.000 0.000 0.197 385 D C 2.071 178.368 176.300 -0.004 0.000 0.995 385 D CA 1.590 55.593 54.000 0.005 0.000 0.846 385 D CB -0.427 40.386 40.800 0.023 0.000 0.941 385 D HN 0.613 nan 8.370 nan 0.000 0.456 386 A N 0.048 122.866 122.820 -0.003 0.000 2.067 386 A HA 0.011 4.331 4.320 -0.000 0.000 0.219 386 A C 0.989 178.541 177.584 -0.053 0.000 1.158 386 A CA 0.457 52.483 52.037 -0.019 0.000 0.661 386 A CB -0.378 18.616 19.000 -0.011 0.000 0.801 386 A HN 0.176 nan 8.150 nan 0.000 0.452 387 L N 0.462 121.627 121.223 -0.096 0.000 2.326 387 L HA 0.382 4.721 4.340 -0.000 0.000 0.278 387 L C 0.271 177.116 176.870 -0.041 0.000 1.092 387 L CA -0.575 54.152 54.840 -0.189 0.000 0.810 387 L CB 0.995 42.714 42.059 -0.567 0.000 1.153 387 L HN 0.220 nan 8.230 nan 0.000 0.439 388 E N 1.292 121.459 120.200 -0.056 0.000 2.250 388 E HA 0.406 4.755 4.350 -0.000 0.000 0.265 388 E C 0.600 177.247 176.600 0.077 0.000 1.033 388 E CA 0.138 56.545 56.400 0.012 0.000 0.888 388 E CB 1.783 31.468 29.700 -0.025 0.000 1.151 388 E HN 0.547 nan 8.360 nan 0.000 0.412 389 A N 3.053 125.905 122.820 0.053 0.000 1.903 389 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 389 A C -0.805 176.798 177.584 0.032 0.000 1.191 389 A CA 1.915 53.974 52.037 0.038 0.000 0.638 389 A CB -1.746 17.207 19.000 -0.078 0.000 0.823 389 A HN 0.659 nan 8.150 nan 0.000 0.451 390 P HA -0.079 nan 4.420 nan 0.000 0.222 390 P C 0.811 178.088 177.300 -0.039 0.000 1.147 390 P CA 0.929 64.005 63.100 -0.041 0.000 0.790 390 P CB -0.155 31.521 31.700 -0.041 0.000 0.780 391 N N -0.939 117.702 118.700 -0.098 0.000 2.453 391 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 391 N C 0.070 175.407 175.510 -0.289 0.000 1.041 391 N CA 0.726 53.647 53.050 -0.214 0.000 0.900 391 N CB -0.332 37.926 38.487 -0.381 0.000 0.961 391 N HN 0.241 nan 8.380 nan 0.000 0.443 392 F N 0.603 120.481 119.950 -0.121 0.000 2.405 392 F HA 0.289 4.816 4.527 -0.000 0.000 0.355 392 F C 0.355 176.072 175.800 -0.138 0.000 1.121 392 F CA -0.843 57.090 58.000 -0.112 0.000 1.112 392 F CB 1.137 39.952 39.000 -0.309 0.000 1.126 392 F HN -0.374 nan 8.300 nan 0.000 0.481 393 V N 4.840 124.856 119.914 0.169 0.000 2.364 393 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 393 V C -0.508 175.679 176.094 0.155 0.000 1.036 393 V CA -0.725 61.615 62.300 0.067 0.000 0.880 393 V CB 0.237 32.039 31.823 -0.035 0.000 0.991 393 V HN 0.454 nan 8.190 nan 0.000 0.460 394 Y N 3.606 123.827 120.300 -0.132 0.000 2.457 394 Y HA 0.784 5.334 4.550 -0.000 0.000 0.333 394 Y C 0.417 176.240 175.900 -0.127 0.000 1.119 394 Y CA -1.634 56.366 58.100 -0.166 0.000 1.143 394 Y CB 1.920 40.092 38.460 -0.480 0.000 1.230 394 Y HN 0.909 nan 8.280 nan 0.000 0.469 395 C N 1.375 120.766 119.300 0.153 0.000 3.311 395 C HA 0.635 5.095 4.460 -0.000 0.000 0.325 395 C C 0.630 175.798 174.990 0.297 0.000 1.352 395 C CA -1.044 58.054 59.018 0.134 0.000 1.308 395 C CB 0.514 28.222 27.740 -0.054 0.000 1.619 395 C HN 0.906 nan 8.230 nan 0.000 0.469 396 I N -1.906 118.811 120.570 0.246 0.000 4.082 396 I HA 0.344 4.514 4.170 -0.000 0.000 0.337 396 I C -0.070 176.238 176.117 0.318 0.000 1.352 396 I CA 0.448 61.895 61.300 0.245 0.000 1.097 396 I CB -0.074 37.998 38.000 0.120 0.000 1.048 396 I HN 0.689 nan 8.210 nan 0.000 0.393 397 Q N 2.559 122.487 119.800 0.213 0.000 2.353 397 Q HA 0.432 4.772 4.340 -0.000 0.000 0.275 397 Q C -1.596 174.379 176.000 -0.042 0.000 1.029 397 Q CA -0.448 55.422 55.803 0.110 0.000 0.848 397 Q CB 2.621 31.438 28.738 0.132 0.000 1.390 397 Q HN 0.562 nan 8.270 nan 0.000 0.401 398 N N -1.248 117.319 118.700 -0.222 0.000 3.106 398 N HA 0.148 4.888 4.740 -0.000 0.000 0.253 398 N C 0.659 175.790 175.510 -0.633 0.000 1.506 398 N CA -0.451 52.423 53.050 -0.293 0.000 0.876 398 N CB 0.030 38.386 38.487 -0.219 0.000 1.452 398 N HN 0.592 nan 8.380 nan 0.000 0.542 399 H N -1.377 117.386 119.070 -0.512 0.000 2.387 399 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 399 H C -0.171 174.942 175.328 -0.358 0.000 1.099 399 H CA 1.671 57.292 56.048 -0.712 0.000 1.315 399 H CB -0.204 29.275 29.762 -0.473 0.000 1.380 399 H HN 0.545 nan 8.280 nan 0.000 0.513 400 D N 0.717 120.718 120.400 -0.665 0.000 2.123 400 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 400 D C 2.198 178.476 176.300 -0.037 0.000 0.976 400 D CA 0.692 54.572 54.000 -0.201 0.000 0.831 400 D CB 0.049 40.692 40.800 -0.261 0.000 0.974 400 D HN 0.361 nan 8.370 nan 0.000 0.469 401 Q N -0.076 119.634 119.800 -0.151 0.000 2.472 401 Q HA 0.101 4.441 4.340 -0.000 0.000 0.208 401 Q C 2.117 178.161 176.000 0.073 0.000 0.958 401 Q CA 0.171 55.966 55.803 -0.012 0.000 0.932 401 Q CB 0.594 29.153 28.738 -0.298 0.000 1.007 401 Q HN 0.439 nan 8.270 nan 0.000 0.508 402 I N -1.148 119.402 120.570 -0.035 0.000 2.681 402 I HA 0.018 4.188 4.170 -0.000 0.000 0.247 402 I C 2.064 178.274 176.117 0.156 0.000 1.091 402 I CA 0.892 62.204 61.300 0.020 0.000 1.442 402 I CB -0.315 37.606 38.000 -0.132 0.000 1.219 402 I HN 0.107 nan 8.210 nan 0.000 0.451 403 G N 1.526 110.483 108.800 0.261 0.000 2.572 403 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 403 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 403 G C 1.236 176.439 174.900 0.505 0.000 1.133 403 G CA 0.663 46.095 45.100 0.553 0.000 0.791 403 G HN 0.476 nan 8.290 nan 0.000 0.538 404 N N 0.502 119.429 118.700 0.380 0.000 2.515 404 N HA -0.025 4.715 4.740 -0.000 0.000 0.185 404 N C 0.800 176.469 175.510 0.266 0.000 1.109 404 N CA -0.026 53.213 53.050 0.315 0.000 0.903 404 N CB -0.179 38.484 38.487 0.293 0.000 0.969 404 N HN 0.215 nan 8.380 nan 0.000 0.450 405 R N 0.699 121.290 120.500 0.151 0.000 2.490 405 R HA 0.213 4.553 4.340 -0.000 0.000 0.278 405 R C -1.481 174.653 176.300 -0.277 0.000 1.069 405 R CA -1.657 54.436 56.100 -0.012 0.000 1.080 405 R CB 0.464 30.778 30.300 0.023 0.000 1.030 405 R HN 0.049 nan 8.270 nan 0.000 0.491 406 P HA -0.190 nan 4.420 nan 0.000 0.216 406 P C 0.708 177.789 177.300 -0.365 0.000 1.154 406 P CA 1.614 64.149 63.100 -0.942 0.000 0.865 406 P CB 0.172 31.401 31.700 -0.784 0.000 0.789 407 L N -3.055 118.048 121.223 -0.200 0.000 2.640 407 L HA 0.355 4.694 4.340 -0.000 0.000 0.230 407 L C 1.237 178.098 176.870 -0.016 0.000 1.123 407 L CA 0.369 55.159 54.840 -0.083 0.000 0.900 407 L CB -0.745 41.273 42.059 -0.068 0.000 1.146 407 L HN 0.098 nan 8.230 nan 0.000 0.484 408 G N 1.715 110.518 108.800 0.005 0.000 2.225 408 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.267 408 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.267 408 G C 0.277 175.220 174.900 0.073 0.000 1.024 408 G CA 0.558 45.711 45.100 0.088 0.000 0.784 408 G HN 0.553 nan 8.290 nan 0.000 0.507 409 E N 0.498 120.708 120.200 0.017 0.000 2.343 409 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 409 E C 0.558 177.143 176.600 -0.025 0.000 1.047 409 E CA -0.572 55.815 56.400 -0.022 0.000 0.874 409 E CB 0.953 30.615 29.700 -0.063 0.000 1.033 409 E HN 0.493 nan 8.360 nan 0.000 0.409 410 R N 1.218 121.667 120.500 -0.086 0.000 2.649 410 R HA 0.124 4.464 4.340 -0.000 0.000 0.270 410 R C 1.311 177.547 176.300 -0.107 0.000 1.105 410 R CA -0.643 55.417 56.100 -0.066 0.000 1.193 410 R CB 0.288 30.549 30.300 -0.065 0.000 1.120 410 R HN 0.485 nan 8.270 nan 0.000 0.561 411 L N 1.627 122.904 121.223 0.091 0.000 2.042 411 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 411 L C 2.098 179.000 176.870 0.053 0.000 1.076 411 L CA 2.126 57.054 54.840 0.147 0.000 0.749 411 L CB -0.690 41.582 42.059 0.356 0.000 0.893 411 L HN 0.799 nan 8.230 nan 0.000 0.432 412 H N -2.882 116.091 119.070 -0.162 0.000 2.546 412 H HA 0.022 4.578 4.556 -0.000 0.000 0.277 412 H C 1.794 177.038 175.328 -0.140 0.000 1.004 412 H CA 0.847 56.736 56.048 -0.265 0.000 1.231 412 H CB -0.365 28.964 29.762 -0.722 0.000 1.382 412 H HN 0.517 nan 8.280 nan 0.000 0.580 413 Q N 0.689 120.180 119.800 -0.516 0.000 2.398 413 Q HA 0.149 4.489 4.340 -0.000 0.000 0.204 413 Q C 0.266 176.173 176.000 -0.155 0.000 0.932 413 Q CA 0.061 55.668 55.803 -0.328 0.000 0.916 413 Q CB 0.642 29.165 28.738 -0.358 0.000 1.024 413 Q HN 0.290 nan 8.270 nan 0.000 0.504 414 S N 1.746 117.375 115.700 -0.118 0.000 2.562 414 S HA -0.016 4.454 4.470 -0.000 0.000 0.281 414 S C -0.264 174.302 174.600 -0.058 0.000 1.333 414 S CA -0.477 57.677 58.200 -0.076 0.000 1.052 414 S CB 0.542 63.704 63.200 -0.064 0.000 0.884 414 S HN 0.214 nan 8.310 nan 0.000 0.506 415 D N 0.929 121.296 120.400 -0.054 0.000 2.487 415 D HA 0.325 4.965 4.640 -0.000 0.000 0.243 415 D C 1.286 177.565 176.300 -0.035 0.000 1.154 415 D CA 1.654 55.628 54.000 -0.042 0.000 0.876 415 D CB -0.110 40.666 40.800 -0.040 0.000 1.161 415 D HN 0.670 nan 8.370 nan 0.000 0.478 416 G N 2.239 111.024 108.800 -0.025 0.000 2.268 416 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.240 416 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.240 416 G C 0.367 175.265 174.900 -0.003 0.000 1.010 416 G CA 0.096 45.185 45.100 -0.018 0.000 0.618 416 G HN 0.683 nan 8.290 nan 0.000 0.516 417 V N 3.212 123.130 119.914 0.006 0.000 2.529 417 V HA 0.461 4.581 4.120 -0.000 0.000 0.292 417 V C 1.313 177.445 176.094 0.063 0.000 1.028 417 V CA 0.688 63.017 62.300 0.048 0.000 1.074 417 V CB 0.779 32.644 31.823 0.069 0.000 0.958 417 V HN 0.827 nan 8.190 nan 0.000 0.481 418 T N 2.702 117.310 114.554 0.090 0.000 2.918 418 T HA 0.481 4.831 4.350 -0.000 0.000 0.283 418 T C 1.064 175.864 174.700 0.166 0.000 1.001 418 T CA -0.727 61.421 62.100 0.079 0.000 1.041 418 T CB 1.115 70.001 68.868 0.030 0.000 1.028 418 T HN 0.322 nan 8.240 nan 0.000 0.511 419 L N 0.451 121.761 121.223 0.144 0.000 2.191 419 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 419 L C 2.778 179.886 176.870 0.398 0.000 1.103 419 L CA 1.378 56.365 54.840 0.245 0.000 0.769 419 L CB -0.637 41.530 42.059 0.179 0.000 0.908 419 L HN 0.849 nan 8.230 nan 0.000 0.438 420 H N -0.583 118.592 119.070 0.175 0.000 2.321 420 H HA -0.165 4.391 4.556 -0.000 0.000 0.300 420 H C 2.076 177.547 175.328 0.239 0.000 1.087 420 H CA 1.207 57.365 56.048 0.183 0.000 1.319 420 H CB 0.204 30.060 29.762 0.158 0.000 1.379 420 H HN 0.415 nan 8.280 nan 0.000 0.501 421 E N 0.384 120.825 120.200 0.401 0.000 2.077 421 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 421 E C 1.904 178.762 176.600 0.430 0.000 0.989 421 E CA 0.990 57.658 56.400 0.448 0.000 0.800 421 E CB -0.130 29.767 29.700 0.328 0.000 0.746 421 E HN 0.440 nan 8.360 nan 0.000 0.452 422 Y N 1.593 122.029 120.300 0.228 0.000 2.181 422 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 422 Y C 2.127 178.088 175.900 0.102 0.000 1.146 422 Y CA 1.592 59.797 58.100 0.175 0.000 1.164 422 Y CB 0.069 38.634 38.460 0.174 0.000 0.982 422 Y HN -0.157 nan 8.280 nan 0.000 0.515 423 R N -0.698 119.899 120.500 0.161 0.000 2.092 423 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 423 R C 2.552 178.727 176.300 -0.210 0.000 1.119 423 R CA 0.995 57.083 56.100 -0.020 0.000 0.970 423 R CB -0.865 29.479 30.300 0.073 0.000 0.864 423 R HN 0.503 nan 8.270 nan 0.000 0.440 424 G N 0.830 109.517 108.800 -0.189 0.000 2.418 424 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 424 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 424 G C 1.541 175.714 174.900 -1.213 0.000 1.158 424 G CA 0.835 45.540 45.100 -0.659 0.000 0.771 424 G HN 0.403 nan 8.290 nan 0.000 0.545 425 A N 1.179 123.478 122.820 -0.867 0.000 1.933 425 A HA 0.258 4.578 4.320 -0.000 0.000 0.218 425 A C 2.820 180.105 177.584 -0.499 0.000 1.175 425 A CA 2.207 53.778 52.037 -0.777 0.000 0.628 425 A CB -0.768 18.118 19.000 -0.190 0.000 0.814 425 A HN 0.795 nan 8.150 nan 0.000 0.444 426 A N -0.048 122.495 122.820 -0.462 0.000 1.908 426 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 426 A C 2.507 179.825 177.584 -0.444 0.000 1.181 426 A CA 2.214 53.964 52.037 -0.479 0.000 0.627 426 A CB -1.026 17.522 19.000 -0.754 0.000 0.818 426 A HN 1.083 nan 8.150 nan 0.000 0.445 427 A N -0.613 121.932 122.820 -0.458 0.000 1.902 427 A HA -0.008 4.311 4.320 -0.000 0.000 0.217 427 A C 2.139 179.550 177.584 -0.288 0.000 1.181 427 A CA 1.725 53.548 52.037 -0.357 0.000 0.623 427 A CB -0.610 18.181 19.000 -0.348 0.000 0.818 427 A HN 0.693 nan 8.150 nan 0.000 0.443 428 L N -0.625 120.379 121.223 -0.365 0.000 1.976 428 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 428 L C 2.284 179.125 176.870 -0.048 0.000 1.071 428 L CA 2.262 57.003 54.840 -0.164 0.000 0.746 428 L CB -0.729 41.242 42.059 -0.147 0.000 0.890 428 L HN 0.352 nan 8.230 nan 0.000 0.432 429 L N -0.565 120.639 121.223 -0.032 0.000 2.013 429 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 429 L C 2.123 178.950 176.870 -0.072 0.000 1.073 429 L CA 2.019 56.859 54.840 0.001 0.000 0.753 429 L CB -0.594 41.491 42.059 0.043 0.000 0.890 429 L HN 0.332 nan 8.230 nan 0.000 0.432 430 L N -1.072 120.080 121.223 -0.118 0.000 2.591 430 L HA 0.030 4.370 4.340 -0.000 0.000 0.228 430 L C 1.714 178.527 176.870 -0.095 0.000 1.133 430 L CA 0.844 55.618 54.840 -0.110 0.000 0.880 430 L CB -0.652 41.315 42.059 -0.154 0.000 1.033 430 L HN 0.487 nan 8.230 nan 0.000 0.450 431 T N -3.653 110.846 114.554 -0.091 0.000 3.040 431 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 431 T C 0.696 175.362 174.700 -0.057 0.000 1.058 431 T CA -0.222 61.838 62.100 -0.067 0.000 0.988 431 T CB 0.047 68.879 68.868 -0.060 0.000 0.993 431 T HN -0.003 nan 8.240 nan 0.000 0.519 432 L N 2.872 124.053 121.223 -0.070 0.000 2.436 432 L HA 0.409 4.749 4.340 -0.000 0.000 0.265 432 L C -1.620 175.178 176.870 -0.120 0.000 1.168 432 L CA -2.211 52.575 54.840 -0.090 0.000 0.815 432 L CB 0.497 42.486 42.059 -0.116 0.000 1.109 432 L HN 0.110 nan 8.230 nan 0.000 0.462 436 P HA 0.687 nan 4.420 nan 0.000 0.284 436 P C -1.016 176.320 177.300 0.060 0.000 1.258 436 P CA -0.822 62.272 63.100 -0.009 0.000 0.824 436 P CB 1.476 33.162 31.700 -0.022 0.000 1.038 437 L N 2.288 123.534 121.223 0.039 0.000 2.408 437 L HA 0.547 4.887 4.340 -0.000 0.000 0.268 437 L C -1.362 175.530 176.870 0.036 0.000 0.986 437 L CA -0.884 53.986 54.840 0.050 0.000 0.820 437 L CB 1.404 43.359 42.059 -0.172 0.000 1.303 437 L HN 0.196 nan 8.230 nan 0.000 0.411 438 L N 3.566 124.828 121.223 0.065 0.000 2.334 438 L HA 0.502 4.842 4.340 -0.000 0.000 0.273 438 L C -0.955 175.845 176.870 -0.116 0.000 1.013 438 L CA -0.616 54.242 54.840 0.030 0.000 0.816 438 L CB 1.932 44.052 42.059 0.102 0.000 1.278 438 L HN 0.499 nan 8.230 nan 0.000 0.431 439 F N 1.871 121.655 119.950 -0.276 0.000 2.399 439 F HA 0.273 4.800 4.527 -0.000 0.000 0.334 439 F C 0.383 175.841 175.800 -0.570 0.000 1.097 439 F CA -0.719 57.049 58.000 -0.387 0.000 1.076 439 F CB 1.207 40.046 39.000 -0.267 0.000 1.162 439 F HN 0.538 nan 8.300 nan 0.000 0.495 440 Q N 3.866 122.768 119.800 -1.497 0.000 2.398 440 Q HA 0.246 4.586 4.340 -0.000 0.000 0.329 440 Q C 0.836 176.409 176.000 -0.711 0.000 1.079 440 Q CA 0.707 55.878 55.803 -1.054 0.000 1.041 440 Q CB -0.115 28.219 28.738 -0.673 0.000 1.084 440 Q HN 1.185 nan 8.270 nan 0.000 0.386 441 G N 2.599 110.965 108.800 -0.723 0.000 2.225 441 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.254 441 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.254 441 G C 0.803 175.142 174.900 -0.936 0.000 0.988 441 G CA 0.599 44.874 45.100 -1.375 0.000 0.625 441 G HN 0.899 nan 8.290 nan 0.000 0.527 442 Q N 0.741 120.275 119.800 -0.443 0.000 2.226 442 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 442 Q C 2.056 177.811 176.000 -0.408 0.000 0.975 442 Q CA 1.851 57.539 55.803 -0.193 0.000 0.866 442 Q CB -0.359 28.384 28.738 0.009 0.000 0.915 442 Q HN 0.634 nan 8.270 nan 0.000 0.440 443 E N 0.952 120.787 120.200 -0.608 0.000 2.338 443 E HA -0.185 4.164 4.350 -0.000 0.000 0.197 443 E C 0.779 177.244 176.600 -0.225 0.000 1.007 443 E CA 1.057 56.901 56.400 -0.926 0.000 0.849 443 E CB -0.290 29.176 29.700 -0.391 0.000 0.774 443 E HN 0.845 nan 8.360 nan 0.000 0.506 444 W N -0.168 121.077 121.300 -0.091 0.000 2.771 444 W HA 0.723 5.383 4.660 0.000 0.000 0.412 444 W C 0.170 176.757 176.519 0.114 0.000 0.965 444 W CA -0.765 56.607 57.345 0.045 0.000 2.045 444 W CB -0.163 29.318 29.460 0.036 0.000 1.176 444 W HN 0.144 nan 8.180 nan 0.000 0.634 445 A N 0.964 123.790 122.820 0.010 0.000 2.466 445 A HA 0.085 4.404 4.320 -0.000 0.000 0.295 445 A C 1.081 178.653 177.584 -0.020 0.000 1.465 445 A CA 0.798 52.617 52.037 -0.363 0.000 0.744 445 A CB -1.863 16.844 19.000 -0.489 0.000 1.098 445 A HN 1.467 nan 8.150 nan 0.000 0.402 446 A N 0.770 123.494 122.820 -0.159 0.000 2.561 446 A HA 0.471 4.790 4.320 -0.000 0.000 0.234 446 A C 1.589 179.321 177.584 0.246 0.000 1.055 446 A CA 0.755 52.745 52.037 -0.077 0.000 0.756 446 A CB -0.008 18.746 19.000 -0.411 0.000 0.986 446 A HN 2.074 nan 8.150 nan 0.000 0.505 447 S N 0.886 116.727 115.700 0.234 0.000 2.527 447 S HA 0.032 4.502 4.470 -0.000 0.000 0.222 447 S C 0.797 175.471 174.600 0.123 0.000 0.985 447 S CA 0.714 59.053 58.200 0.233 0.000 0.921 447 S CB -0.723 62.601 63.200 0.208 0.000 0.772 447 S HN 1.161 nan 8.310 nan 0.000 0.529 448 T N 1.354 115.969 114.554 0.101 0.000 2.907 448 T HA 0.607 4.957 4.350 -0.000 0.000 0.284 448 T C -2.753 172.013 174.700 0.110 0.000 1.004 448 T CA -2.212 59.940 62.100 0.088 0.000 1.063 448 T CB 1.508 70.425 68.868 0.082 0.000 0.992 448 T HN 0.054 nan 8.240 nan 0.000 0.483 449 P HA 0.327 nan 4.420 nan 0.000 0.277 449 P C -1.188 176.276 177.300 0.273 0.000 1.271 449 P CA -0.676 62.509 63.100 0.142 0.000 0.795 449 P CB 0.541 32.299 31.700 0.096 0.000 1.101 450 F N 0.450 120.483 119.950 0.139 0.000 2.532 450 F HA 0.322 4.849 4.527 -0.000 0.000 0.365 450 F C 0.003 175.980 175.800 0.295 0.000 1.112 450 F CA -0.445 57.684 58.000 0.216 0.000 1.082 450 F CB 0.951 40.028 39.000 0.129 0.000 1.319 450 F HN 0.182 nan 8.300 nan 0.000 0.457 451 Q N 3.532 123.357 119.800 0.043 0.000 2.205 451 Q HA 0.300 4.640 4.340 -0.000 0.000 0.249 451 Q C -1.035 175.108 176.000 0.237 0.000 0.948 451 Q CA -1.080 54.830 55.803 0.179 0.000 0.895 451 Q CB 2.009 30.848 28.738 0.168 0.000 1.249 451 Q HN 0.605 nan 8.270 nan 0.000 0.458 452 F N 3.115 123.091 119.950 0.043 0.000 2.506 452 F HA 0.263 4.790 4.527 0.000 0.000 0.371 452 F C -1.041 174.588 175.800 -0.285 0.000 1.078 452 F CA -0.540 57.182 58.000 -0.464 0.000 1.195 452 F CB -0.013 38.634 39.000 -0.587 0.000 1.099 452 F HN 0.357 nan 8.300 nan 0.000 0.548 453 F N 2.987 122.247 119.950 -1.151 0.000 2.588 453 F HA 0.853 5.380 4.527 0.000 0.000 0.314 453 F C -0.893 174.336 175.800 -0.952 0.000 1.069 453 F CA -0.921 56.639 58.000 -0.735 0.000 0.931 453 F CB 1.237 40.118 39.000 -0.198 0.000 1.260 453 F HN 0.426 nan 8.300 nan 0.000 0.465 454 S N -0.117 115.382 115.700 -0.334 0.000 2.656 454 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 454 S C -1.729 172.812 174.600 -0.098 0.000 1.168 454 S CA -0.641 57.401 58.200 -0.265 0.000 0.817 454 S CB 1.947 65.010 63.200 -0.229 0.000 1.146 454 S HN 0.850 nan 8.310 nan 0.000 0.475 455 D N -0.245 120.070 120.400 -0.142 0.000 3.256 455 D HA 0.243 4.883 4.640 -0.000 0.000 0.332 455 D C -0.919 175.327 176.300 -0.090 0.000 1.327 455 D CA -0.163 53.795 54.000 -0.070 0.000 0.735 455 D CB -0.098 40.675 40.800 -0.044 0.000 1.280 455 D HN 0.546 nan 8.370 nan 0.000 0.572 456 H N 0.184 119.301 119.070 0.078 0.000 2.607 456 H HA 0.586 5.142 4.556 0.000 0.000 0.367 456 H C 0.387 175.759 175.328 0.074 0.000 1.181 456 H CA 0.025 56.127 56.048 0.091 0.000 1.402 456 H CB 1.349 31.162 29.762 0.085 0.000 1.474 456 H HN 0.300 nan 8.280 nan 0.000 0.596 457 A N 1.305 124.265 122.820 0.233 0.000 2.302 457 A HA 0.518 4.838 4.320 -0.000 0.000 0.285 457 A C 1.072 178.718 177.584 0.104 0.000 1.105 457 A CA 0.331 52.450 52.037 0.136 0.000 0.816 457 A CB 0.031 19.104 19.000 0.120 0.000 1.067 457 A HN 0.926 nan 8.150 nan 0.000 0.489 458 G N 0.849 109.689 108.800 0.067 0.000 2.596 458 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.295 458 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.295 458 G C 0.733 175.658 174.900 0.040 0.000 1.240 458 G CA 0.879 46.005 45.100 0.043 0.000 0.985 458 G HN 0.845 nan 8.290 nan 0.000 0.555 459 E N -0.352 119.862 120.200 0.023 0.000 2.110 459 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 459 E C 2.633 179.242 176.600 0.015 0.000 0.988 459 E CA 1.199 57.608 56.400 0.014 0.000 0.804 459 E CB -0.112 29.589 29.700 0.000 0.000 0.745 459 E HN 0.369 nan 8.360 nan 0.000 0.458 460 L N 0.747 121.978 121.223 0.014 0.000 2.017 460 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 460 L C 2.193 179.087 176.870 0.041 0.000 1.073 460 L CA 2.257 57.093 54.840 -0.006 0.000 0.745 460 L CB -0.955 41.074 42.059 -0.051 0.000 0.894 460 L HN 0.090 nan 8.230 nan 0.000 0.432 461 G N -1.402 107.459 108.800 0.101 0.000 2.440 461 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 461 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 461 G C 1.460 176.412 174.900 0.086 0.000 1.154 461 G CA 0.830 46.009 45.100 0.132 0.000 0.767 461 G HN 0.568 nan 8.290 nan 0.000 0.552 462 Q N 0.085 119.919 119.800 0.058 0.000 2.119 462 Q HA 0.036 4.376 4.340 -0.000 0.000 0.201 462 Q C 3.001 179.022 176.000 0.036 0.000 0.972 462 Q CA 1.064 56.893 55.803 0.043 0.000 0.847 462 Q CB -0.220 28.536 28.738 0.030 0.000 0.903 462 Q HN 0.496 nan 8.270 nan 0.000 0.433 463 A N 0.369 123.205 122.820 0.026 0.000 1.930 463 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 463 A C 2.315 179.913 177.584 0.023 0.000 1.175 463 A CA 1.031 53.075 52.037 0.012 0.000 0.627 463 A CB -0.528 18.467 19.000 -0.007 0.000 0.815 463 A HN 0.191 nan 8.150 nan 0.000 0.443 464 V N -0.131 119.814 119.914 0.051 0.000 2.295 464 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 464 V C 2.808 178.955 176.094 0.088 0.000 1.049 464 V CA 2.367 64.718 62.300 0.085 0.000 1.024 464 V CB -0.826 31.091 31.823 0.158 0.000 0.648 464 V HN 0.562 nan 8.190 nan 0.000 0.447 465 S N -0.553 115.197 115.700 0.083 0.000 2.359 465 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 465 S C 1.936 176.572 174.600 0.060 0.000 1.035 465 S CA 1.755 60.002 58.200 0.079 0.000 1.018 465 S CB -0.297 62.943 63.200 0.067 0.000 0.876 465 S HN 0.686 nan 8.310 nan 0.000 0.448 466 E N 0.504 120.728 120.200 0.040 0.000 2.077 466 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 466 E C 2.394 179.000 176.600 0.010 0.000 0.989 466 E CA 0.866 57.279 56.400 0.023 0.000 0.800 466 E CB -0.431 29.275 29.700 0.011 0.000 0.746 466 E HN 0.561 nan 8.360 nan 0.000 0.452 467 G N 1.110 109.911 108.800 0.001 0.000 2.442 467 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 467 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 467 G C 1.674 176.552 174.900 -0.037 0.000 1.141 467 G CA 0.863 45.945 45.100 -0.031 0.000 0.763 467 G HN 0.055 nan 8.290 nan 0.000 0.554 468 R N 0.563 121.076 120.500 0.021 0.000 2.073 468 R HA 0.101 4.441 4.340 -0.000 0.000 0.229 468 R C 2.413 178.786 176.300 0.122 0.000 1.120 468 R CA 1.627 57.774 56.100 0.078 0.000 0.967 468 R CB -0.435 29.961 30.300 0.160 0.000 0.862 468 R HN 0.362 nan 8.270 nan 0.000 0.436 469 K N 0.367 120.822 120.400 0.092 0.000 2.032 469 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 469 K C 1.716 178.349 176.600 0.055 0.000 1.048 469 K CA 1.897 58.238 56.287 0.091 0.000 0.927 469 K CB 0.004 32.540 32.500 0.059 0.000 0.712 469 K HN 0.082 nan 8.250 nan 0.000 0.441 470 K N 0.341 120.740 120.400 -0.002 0.000 2.097 470 K HA -0.183 4.137 4.320 -0.000 0.000 0.205 470 K C 2.119 178.657 176.600 -0.104 0.000 1.050 470 K CA 1.461 57.724 56.287 -0.041 0.000 0.938 470 K CB -0.062 32.407 32.500 -0.052 0.000 0.718 470 K HN 0.320 nan 8.250 nan 0.000 0.442 471 E N 0.046 120.128 120.200 -0.198 0.000 2.118 471 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 471 E C -0.095 176.152 176.600 -0.588 0.000 0.992 471 E CA 0.929 57.060 56.400 -0.449 0.000 0.804 471 E CB 0.177 29.485 29.700 -0.654 0.000 0.741 471 E HN 0.073 nan 8.360 nan 0.000 0.458 483 V N 2.722 122.651 119.914 0.024 0.000 2.530 483 V HA 0.399 4.519 4.120 -0.000 0.000 0.282 483 V C -1.679 174.439 176.094 0.041 0.000 1.048 483 V CA -0.938 61.372 62.300 0.016 0.000 0.997 483 V CB 0.945 32.809 31.823 0.069 0.000 0.987 483 V HN 0.428 nan 8.190 nan 0.000 0.477 484 P HA 0.042 nan 4.420 nan 0.000 0.267 484 P C -0.540 176.809 177.300 0.083 0.000 1.205 484 P CA -0.153 62.981 63.100 0.057 0.000 0.765 484 P CB 0.496 32.232 31.700 0.060 0.000 0.828 485 D N 5.466 125.913 120.400 0.077 0.000 2.382 485 D HA 0.009 4.649 4.640 -0.000 0.000 0.259 485 D C -1.179 175.176 176.300 0.093 0.000 1.224 485 D CA -1.995 52.056 54.000 0.085 0.000 0.894 485 D CB 0.631 41.473 40.800 0.069 0.000 1.127 485 D HN 0.184 nan 8.370 nan 0.000 0.487 486 P HA -0.150 nan 4.420 nan 0.000 0.219 486 P C 0.908 178.228 177.300 0.033 0.000 1.146 486 P CA 0.981 64.117 63.100 0.060 0.000 0.808 486 P CB 0.358 32.124 31.700 0.111 0.000 0.779 487 Q N -0.769 119.066 119.800 0.058 0.000 2.451 487 Q HA 0.158 4.498 4.340 -0.000 0.000 0.206 487 Q C 0.936 176.969 176.000 0.055 0.000 0.947 487 Q CA 0.119 55.952 55.803 0.051 0.000 0.937 487 Q CB -0.060 28.717 28.738 0.064 0.000 1.025 487 Q HN 0.165 nan 8.270 nan 0.000 0.511 488 A N 1.093 123.953 122.820 0.066 0.000 2.401 488 A HA 0.067 4.387 4.320 -0.000 0.000 0.259 488 A C 0.912 178.545 177.584 0.081 0.000 1.103 488 A CA -0.209 51.868 52.037 0.066 0.000 0.789 488 A CB 0.431 19.469 19.000 0.063 0.000 1.035 488 A HN 0.185 nan 8.150 nan 0.000 0.491 489 E N 0.917 121.165 120.200 0.080 0.000 2.130 489 E HA -0.286 4.064 4.350 -0.000 0.000 0.196 489 E C 1.762 178.434 176.600 0.120 0.000 0.998 489 E CA 1.766 58.235 56.400 0.115 0.000 0.806 489 E CB 0.025 29.786 29.700 0.101 0.000 0.738 489 E HN 0.837 nan 8.360 nan 0.000 0.459 490 Q N 0.304 120.149 119.800 0.076 0.000 2.181 490 Q HA -0.137 4.203 4.340 -0.000 0.000 0.205 490 Q C 1.938 177.966 176.000 0.046 0.000 0.980 490 Q CA 1.913 57.746 55.803 0.050 0.000 0.862 490 Q CB -0.279 28.484 28.738 0.041 0.000 0.905 490 Q HN 0.160 nan 8.270 nan 0.000 0.429 491 T N 0.153 114.753 114.554 0.077 0.000 2.777 491 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 491 T C 1.224 175.970 174.700 0.076 0.000 1.040 491 T CA 1.175 63.334 62.100 0.099 0.000 1.141 491 T CB -0.464 68.485 68.868 0.135 0.000 0.868 491 T HN 0.374 nan 8.240 nan 0.000 0.444 492 F N 2.003 121.833 119.950 -0.200 0.000 2.075 492 F HA 0.028 4.555 4.527 -0.000 0.000 0.297 492 F C 1.898 177.514 175.800 -0.307 0.000 1.113 492 F CA 1.018 58.666 58.000 -0.587 0.000 1.218 492 F CB -0.731 37.953 39.000 -0.527 0.000 0.984 492 F HN 0.033 nan 8.300 nan 0.000 0.472 493 L N 0.262 121.304 121.223 -0.302 0.000 2.083 493 L HA -0.267 4.073 4.340 -0.000 0.000 0.209 493 L C 2.256 179.011 176.870 -0.192 0.000 1.083 493 L CA 1.235 55.880 54.840 -0.325 0.000 0.752 493 L CB -1.033 40.948 42.059 -0.130 0.000 0.899 493 L HN 0.172 nan 8.230 nan 0.000 0.433 494 N N -0.032 118.613 118.700 -0.092 0.000 2.091 494 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 494 N C 1.840 177.343 175.510 -0.010 0.000 1.021 494 N CA 1.812 54.846 53.050 -0.025 0.000 0.862 494 N CB -0.333 38.166 38.487 0.020 0.000 1.018 494 N HN 0.202 nan 8.380 nan 0.000 0.429 495 S N 0.127 115.805 115.700 -0.037 0.000 2.603 495 S HA 0.077 4.547 4.470 -0.000 0.000 0.220 495 S C 0.411 175.071 174.600 0.100 0.000 0.967 495 S CA 0.059 58.309 58.200 0.084 0.000 0.920 495 S CB 0.321 63.592 63.200 0.119 0.000 0.773 495 S HN 0.185 nan 8.310 nan 0.000 0.529 496 K N 2.110 122.473 120.400 -0.063 0.000 2.448 496 K HA 0.140 4.460 4.320 -0.000 0.000 0.278 496 K C -0.007 176.610 176.600 0.028 0.000 1.009 496 K CA 0.080 56.346 56.287 -0.035 0.000 0.995 496 K CB 0.403 32.829 32.500 -0.124 0.000 0.917 496 K HN 0.286 nan 8.250 nan 0.000 0.481 497 L N 2.601 123.846 121.223 0.037 0.000 2.456 497 L HA 0.008 4.347 4.340 -0.000 0.000 0.272 497 L C 0.998 177.810 176.870 -0.096 0.000 1.189 497 L CA -0.104 54.690 54.840 -0.077 0.000 0.846 497 L CB 0.069 41.948 42.059 -0.300 0.000 1.111 497 L HN 0.512 nan 8.230 nan 0.000 0.475 498 N N 1.990 120.642 118.700 -0.079 0.000 2.527 498 N HA 0.067 4.806 4.740 -0.000 0.000 0.236 498 N C 0.265 175.632 175.510 -0.240 0.000 0.999 498 N CA -0.297 52.706 53.050 -0.080 0.000 0.935 498 N CB 0.648 39.110 38.487 -0.043 0.000 1.132 498 N HN 0.491 nan 8.380 nan 0.000 0.511 499 W N 2.818 124.003 121.300 -0.193 0.000 2.388 499 W HA 0.036 4.695 4.660 -0.000 0.000 0.294 499 W C 2.157 178.357 176.519 -0.532 0.000 1.212 499 W CA 1.039 58.123 57.345 -0.434 0.000 1.271 499 W CB 0.003 29.252 29.460 -0.351 0.000 1.126 499 W HN 0.715 nan 8.180 nan 0.000 0.535 500 A N 0.839 123.578 122.820 -0.134 0.000 2.015 500 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 500 A C 1.861 179.300 177.584 -0.241 0.000 1.163 500 A CA 1.688 53.630 52.037 -0.159 0.000 0.646 500 A CB -0.897 18.054 19.000 -0.081 0.000 0.806 500 A HN 0.534 nan 8.150 nan 0.000 0.448 501 E N 0.909 120.915 120.200 -0.324 0.000 2.268 501 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 501 E C 1.884 178.238 176.600 -0.410 0.000 0.995 501 E CA 1.048 57.253 56.400 -0.325 0.000 0.836 501 E CB -0.509 28.951 29.700 -0.399 0.000 0.763 501 E HN 0.773 nan 8.360 nan 0.000 0.491 502 R N 1.307 121.360 120.500 -0.745 0.000 2.241 502 R HA -0.104 4.236 4.340 -0.000 0.000 0.224 502 R C 0.771 176.950 176.300 -0.202 0.000 1.101 502 R CA 1.516 57.234 56.100 -0.636 0.000 0.995 502 R CB -0.250 29.379 30.300 -1.119 0.000 0.870 502 R HN 0.232 nan 8.270 nan 0.000 0.463 503 E N 0.773 120.873 120.200 -0.166 0.000 2.403 503 E HA 0.193 4.543 4.350 -0.000 0.000 0.188 503 E C 0.104 176.702 176.600 -0.003 0.000 1.056 503 E CA 0.054 56.419 56.400 -0.058 0.000 0.892 503 E CB 1.075 30.737 29.700 -0.065 0.000 1.049 503 E HN 0.515 nan 8.360 nan 0.000 0.465 504 G N -0.510 108.309 108.800 0.032 0.000 2.660 504 G HA2 0.540 4.499 3.960 -0.000 0.000 0.294 504 G HA3 0.540 4.499 3.960 -0.000 0.000 0.294 504 G C 0.201 175.166 174.900 0.110 0.000 1.369 504 G CA -0.252 44.889 45.100 0.067 0.000 0.912 504 G HN 0.178 nan 8.290 nan 0.000 0.479 505 G N 0.385 109.229 108.800 0.073 0.000 2.582 505 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.288 505 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.288 505 G C 0.915 175.836 174.900 0.035 0.000 1.247 505 G CA 0.676 45.805 45.100 0.047 0.000 0.972 505 G HN 0.725 nan 8.290 nan 0.000 0.557 506 E N 0.399 120.573 120.200 -0.044 0.000 2.268 506 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 506 E C 2.102 178.696 176.600 -0.009 0.000 0.995 506 E CA 1.279 57.653 56.400 -0.043 0.000 0.836 506 E CB -0.301 29.339 29.700 -0.100 0.000 0.763 506 E HN 0.659 nan 8.360 nan 0.000 0.491 507 H N 0.415 119.556 119.070 0.118 0.000 2.326 507 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 507 H C 2.040 177.467 175.328 0.165 0.000 1.081 507 H CA 1.387 57.539 56.048 0.173 0.000 1.334 507 H CB -0.259 29.603 29.762 0.165 0.000 1.385 507 H HN 0.170 nan 8.280 nan 0.000 0.504 508 A N 1.203 124.157 122.820 0.223 0.000 1.933 508 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 508 A C 2.520 180.198 177.584 0.157 0.000 1.175 508 A CA 1.558 53.690 52.037 0.158 0.000 0.628 508 A CB -0.492 18.569 19.000 0.101 0.000 0.814 508 A HN 0.280 nan 8.150 nan 0.000 0.444 509 R N -0.902 119.681 120.500 0.138 0.000 2.081 509 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 509 R C 2.170 178.571 176.300 0.168 0.000 1.131 509 R CA 1.994 58.170 56.100 0.128 0.000 0.960 509 R CB -0.475 29.886 30.300 0.103 0.000 0.856 509 R HN 0.507 nan 8.270 nan 0.000 0.436 510 T N 1.314 115.995 114.554 0.212 0.000 2.777 510 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 510 T C 1.561 176.471 174.700 0.350 0.000 1.040 510 T CA 1.108 63.382 62.100 0.290 0.000 1.141 510 T CB -0.217 68.839 68.868 0.312 0.000 0.868 510 T HN 0.114 nan 8.240 nan 0.000 0.444 511 L N 1.813 123.224 121.223 0.312 0.000 2.042 511 L HA -0.011 4.328 4.340 -0.000 0.000 0.210 511 L C 2.497 179.524 176.870 0.262 0.000 1.076 511 L CA 1.777 56.806 54.840 0.314 0.000 0.749 511 L CB -0.641 41.607 42.059 0.315 0.000 0.893 511 L HN 0.108 nan 8.230 nan 0.000 0.432 512 R N -0.822 119.796 120.500 0.198 0.000 2.096 512 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 512 R C 2.274 178.654 176.300 0.134 0.000 1.127 512 R CA 1.809 57.996 56.100 0.144 0.000 0.968 512 R CB -0.496 29.868 30.300 0.107 0.000 0.861 512 R HN 0.434 nan 8.270 nan 0.000 0.440 513 L N 0.279 121.593 121.223 0.151 0.000 2.017 513 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 513 L C 1.770 178.679 176.870 0.066 0.000 1.073 513 L CA 1.728 56.620 54.840 0.087 0.000 0.745 513 L CB -0.698 41.399 42.059 0.063 0.000 0.894 513 L HN 0.146 nan 8.230 nan 0.000 0.432 514 Y N 0.096 120.426 120.300 0.050 0.000 2.165 514 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 514 Y C 2.769 178.690 175.900 0.034 0.000 1.155 514 Y CA 1.869 59.995 58.100 0.043 0.000 1.164 514 Y CB -0.302 38.209 38.460 0.085 0.000 0.978 514 Y HN 0.153 nan 8.280 nan 0.000 0.513 515 R N -0.113 120.501 120.500 0.189 0.000 2.091 515 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 515 R C 1.680 178.012 176.300 0.054 0.000 1.136 515 R CA 1.662 57.822 56.100 0.100 0.000 0.959 515 R CB -0.375 29.978 30.300 0.088 0.000 0.856 515 R HN 0.356 nan 8.270 nan 0.000 0.437 516 D N 0.683 121.109 120.400 0.044 0.000 2.117 516 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 516 D C 2.030 178.322 176.300 -0.014 0.000 0.982 516 D CA 0.998 55.006 54.000 0.014 0.000 0.828 516 D CB -0.181 40.626 40.800 0.012 0.000 0.967 516 D HN 0.156 nan 8.370 nan 0.000 0.464 517 L N 0.247 121.443 121.223 -0.046 0.000 2.017 517 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 517 L C 2.533 179.373 176.870 -0.050 0.000 1.073 517 L CA 0.743 55.532 54.840 -0.085 0.000 0.745 517 L CB -0.349 41.596 42.059 -0.189 0.000 0.894 517 L HN 0.024 nan 8.230 nan 0.000 0.432 518 L N -0.726 120.487 121.223 -0.017 0.000 2.141 518 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 518 L C 2.757 179.632 176.870 0.007 0.000 1.094 518 L CA 0.971 55.814 54.840 0.005 0.000 0.763 518 L CB -0.452 41.628 42.059 0.036 0.000 0.908 518 L HN 0.237 nan 8.230 nan 0.000 0.437 519 R N 0.190 120.695 120.500 0.008 0.000 2.075 519 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 519 R C 2.301 178.606 176.300 0.008 0.000 1.126 519 R CA 1.151 57.257 56.100 0.011 0.000 0.963 519 R CB -0.179 30.128 30.300 0.012 0.000 0.858 519 R HN 0.153 nan 8.270 nan 0.000 0.435 520 L N 1.385 122.604 121.223 -0.007 0.000 2.046 520 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 520 L C 2.488 179.354 176.870 -0.006 0.000 1.077 520 L CA 1.772 56.602 54.840 -0.016 0.000 0.747 520 L CB -0.539 41.500 42.059 -0.032 0.000 0.896 520 L HN 0.153 nan 8.230 nan 0.000 0.432 521 R N -0.750 119.750 120.500 -0.000 0.000 2.081 521 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 521 R C 2.539 178.891 176.300 0.087 0.000 1.131 521 R CA 1.719 57.832 56.100 0.021 0.000 0.960 521 R CB -0.231 30.066 30.300 -0.005 0.000 0.856 521 R HN 0.349 nan 8.270 nan 0.000 0.436 522 R N 0.290 120.833 120.500 0.071 0.000 2.073 522 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 522 R C 1.392 177.824 176.300 0.221 0.000 1.120 522 R CA 1.851 58.010 56.100 0.099 0.000 0.967 522 R CB 0.075 30.403 30.300 0.047 0.000 0.862 522 R HN 0.335 nan 8.270 nan 0.000 0.436 523 E N -0.134 120.142 120.200 0.127 0.000 2.307 523 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 523 E C -0.226 176.342 176.600 -0.054 0.000 0.975 523 E CA -0.151 56.300 56.400 0.085 0.000 0.878 523 E CB 0.249 29.967 29.700 0.030 0.000 0.845 523 E HN 0.272 nan 8.360 nan 0.000 0.488 524 D N 1.912 122.234 120.400 -0.130 0.000 2.343 524 D HA 0.000 4.640 4.640 -0.000 0.000 0.255 524 D C -1.585 174.372 176.300 -0.573 0.000 1.187 524 D CA -1.836 52.022 54.000 -0.236 0.000 0.875 524 D CB 1.449 42.166 40.800 -0.138 0.000 1.136 524 D HN -0.081 nan 8.370 nan 0.000 0.469 525 P HA -0.107 nan 4.420 nan 0.000 0.221 525 P C 1.500 178.587 177.300 -0.354 0.000 1.150 525 P CA 0.400 63.152 63.100 -0.580 0.000 0.800 525 P CB 0.508 32.067 31.700 -0.235 0.000 0.787 526 V N 0.246 120.025 119.914 -0.226 0.000 2.446 526 V HA -0.114 4.006 4.120 -0.000 0.000 0.244 526 V C 2.636 178.675 176.094 -0.091 0.000 1.039 526 V CA 1.164 63.392 62.300 -0.122 0.000 1.045 526 V CB -1.121 30.647 31.823 -0.091 0.000 0.681 526 V HN -0.002 nan 8.190 nan 0.000 0.459 527 L N -0.371 120.786 121.223 -0.110 0.000 2.450 527 L HA -0.145 4.194 4.340 -0.000 0.000 0.224 527 L C 2.264 179.166 176.870 0.053 0.000 1.149 527 L CA 1.227 56.044 54.840 -0.039 0.000 0.816 527 L CB -0.905 41.132 42.059 -0.037 0.000 0.932 527 L HN 0.500 nan 8.230 nan 0.000 0.449 528 H N -0.728 118.317 119.070 -0.042 0.000 2.543 528 H HA -0.092 4.464 4.556 -0.000 0.000 0.286 528 H C 1.017 176.317 175.328 -0.047 0.000 1.037 528 H CA -0.373 55.649 56.048 -0.043 0.000 1.250 528 H CB -0.071 29.669 29.762 -0.037 0.000 1.373 528 H HN 0.322 nan 8.280 nan 0.000 0.580 529 N N 1.444 120.185 118.700 0.069 0.000 2.292 529 N HA -0.136 4.604 4.740 -0.000 0.000 0.258 529 N C 0.268 175.773 175.510 -0.009 0.000 1.261 529 N CA 0.395 53.453 53.050 0.013 0.000 0.845 529 N CB 0.511 38.990 38.487 -0.014 0.000 1.064 529 N HN 0.119 nan 8.380 nan 0.000 0.471 530 R N 2.145 122.633 120.500 -0.021 0.000 2.642 530 R HA 0.158 4.498 4.340 -0.000 0.000 0.435 530 R C -0.613 175.663 176.300 -0.040 0.000 1.046 530 R CA -0.157 55.920 56.100 -0.039 0.000 1.103 530 R CB 0.156 30.431 30.300 -0.042 0.000 1.425 530 R HN 0.692 nan 8.270 nan 0.000 0.586 531 Q N 0.079 119.857 119.800 -0.038 0.000 2.333 531 Q HA 0.400 4.740 4.340 -0.000 0.000 0.268 531 Q C 0.633 176.606 176.000 -0.045 0.000 1.007 531 Q CA -0.436 55.346 55.803 -0.036 0.000 0.810 531 Q CB 2.426 31.147 28.738 -0.029 0.000 1.264 531 Q HN -0.082 nan 8.270 nan 0.000 0.452 532 R N 1.367 121.837 120.500 -0.049 0.000 2.152 532 R HA -0.213 4.127 4.340 -0.000 0.000 0.232 532 R C 1.691 177.961 176.300 -0.050 0.000 1.117 532 R CA 1.353 57.414 56.100 -0.064 0.000 0.981 532 R CB 0.134 30.391 30.300 -0.072 0.000 0.870 532 R HN 0.720 nan 8.270 nan 0.000 0.451 533 E N 0.888 121.066 120.200 -0.036 0.000 2.219 533 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 533 E C 0.796 177.380 176.600 -0.027 0.000 0.998 533 E CA 1.186 57.569 56.400 -0.028 0.000 0.818 533 E CB 0.106 29.793 29.700 -0.023 0.000 0.741 533 E HN 0.285 nan 8.360 nan 0.000 0.477 534 N N 0.049 118.730 118.700 -0.032 0.000 2.280 534 N HA 0.074 4.814 4.740 -0.000 0.000 0.192 534 N C -0.606 174.885 175.510 -0.032 0.000 1.109 534 N CA 0.058 53.088 53.050 -0.033 0.000 0.855 534 N CB 0.572 39.038 38.487 -0.034 0.000 0.974 534 N HN 0.118 nan 8.380 nan 0.000 0.482 535 L N 1.136 122.341 121.223 -0.031 0.000 2.313 535 L HA 0.458 4.798 4.340 -0.000 0.000 0.283 535 L C -0.158 176.710 176.870 -0.003 0.000 1.013 535 L CA -0.253 54.574 54.840 -0.022 0.000 0.816 535 L CB 1.464 43.494 42.059 -0.048 0.000 1.236 535 L HN 0.022 nan 8.230 nan 0.000 0.419 536 T N 0.275 114.861 114.554 0.053 0.000 2.916 536 T HA 0.910 5.260 4.350 -0.000 0.000 0.292 536 T C -0.256 174.475 174.700 0.053 0.000 1.055 536 T CA -0.262 61.892 62.100 0.090 0.000 1.009 536 T CB 1.821 70.817 68.868 0.213 0.000 1.118 536 T HN 0.730 nan 8.240 nan 0.000 0.497 537 T N -1.958 112.458 114.554 -0.231 0.000 2.864 537 T HA 0.918 5.268 4.350 -0.000 0.000 0.299 537 T C -0.040 173.895 174.700 -1.274 0.000 1.166 537 T CA -0.341 61.351 62.100 -0.680 0.000 1.007 537 T CB 1.649 70.324 68.868 -0.322 0.000 1.219 537 T HN 1.516 nan 8.240 nan 0.000 0.506 538 G N 0.269 107.974 108.800 -1.824 0.000 2.489 538 G HA2 0.662 4.622 3.960 -0.000 0.000 0.305 538 G HA3 0.662 4.622 3.960 -0.000 0.000 0.305 538 G C -1.680 172.727 174.900 -0.822 0.000 1.311 538 G CA -0.455 43.909 45.100 -1.226 0.000 0.813 538 G HN 1.494 nan 8.290 nan 0.000 0.480 539 H N -1.758 117.147 119.070 -0.274 0.000 3.016 539 H HA 0.766 5.322 4.556 -0.000 0.000 0.362 539 H C -2.104 173.323 175.328 0.165 0.000 1.233 539 H CA -0.836 55.200 56.048 -0.020 0.000 1.124 539 H CB 2.815 32.547 29.762 -0.049 0.000 1.850 539 H HN 0.506 nan 8.280 nan 0.000 0.549 540 D N 1.410 121.874 120.400 0.107 0.000 2.476 540 D HA 0.390 5.030 4.640 -0.000 0.000 0.251 540 D C 1.041 177.412 176.300 0.118 0.000 1.291 540 D CA 0.905 54.923 54.000 0.031 0.000 0.939 540 D CB 0.924 41.756 40.800 0.053 0.000 1.221 540 D HN 1.144 nan 8.370 nan 0.000 0.567 541 G N 4.516 113.416 108.800 0.167 0.000 2.596 541 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.304 541 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.304 541 G C 0.537 175.514 174.900 0.128 0.000 1.189 541 G CA 0.467 45.649 45.100 0.137 0.000 0.986 541 G HN 0.554 nan 8.290 nan 0.000 0.548 542 D N 0.689 121.117 120.400 0.046 0.000 2.325 542 D HA 0.295 4.935 4.640 -0.000 0.000 0.225 542 D C 0.678 176.964 176.300 -0.023 0.000 1.096 542 D CA 0.364 54.354 54.000 -0.018 0.000 0.844 542 D CB 0.550 41.316 40.800 -0.056 0.000 0.925 542 D HN 0.284 nan 8.370 nan 0.000 0.513 543 V N 2.186 122.133 119.914 0.055 0.000 2.383 543 V HA 0.166 4.286 4.120 -0.000 0.000 0.275 543 V C 0.111 176.294 176.094 0.149 0.000 1.036 543 V CA -0.883 61.471 62.300 0.089 0.000 0.889 543 V CB 1.607 33.504 31.823 0.123 0.000 0.985 543 V HN -0.012 nan 8.190 nan 0.000 0.459 544 L N 7.473 128.774 121.223 0.130 0.000 2.326 544 L HA 0.565 4.905 4.340 -0.000 0.000 0.278 544 L C -0.426 176.608 176.870 0.272 0.000 1.092 544 L CA -0.027 54.899 54.840 0.144 0.000 0.810 544 L CB 0.793 42.937 42.059 0.142 0.000 1.153 544 L HN 0.779 nan 8.230 nan 0.000 0.439 545 W N 4.963 126.365 121.300 0.170 0.000 2.736 545 W HA 0.753 5.413 4.660 0.000 0.000 0.335 545 W C -2.029 174.592 176.519 0.169 0.000 1.059 545 W CA -1.171 56.278 57.345 0.174 0.000 1.226 545 W CB 0.954 30.527 29.460 0.188 0.000 1.416 545 W HN 0.317 nan 8.180 nan 0.000 0.505 546 V N 4.012 124.210 119.914 0.473 0.000 2.482 546 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 546 V C -0.238 176.062 176.094 0.343 0.000 1.026 546 V CA -0.787 61.695 62.300 0.303 0.000 0.856 546 V CB 1.497 33.415 31.823 0.158 0.000 1.001 546 V HN 0.664 nan 8.190 nan 0.000 0.424 547 R N 2.567 123.280 120.500 0.355 0.000 2.445 547 R HA 0.725 5.065 4.340 -0.000 0.000 0.308 547 R C -0.926 175.390 176.300 0.026 0.000 0.961 547 R CA -0.262 55.917 56.100 0.131 0.000 0.862 547 R CB 1.816 32.090 30.300 -0.044 0.000 1.144 547 R HN 0.715 nan 8.270 nan 0.000 0.447 548 T N 3.499 118.034 114.554 -0.032 0.000 2.792 548 T HA 0.389 4.739 4.350 -0.000 0.000 0.280 548 T C -0.995 173.656 174.700 -0.081 0.000 0.990 548 T CA -0.496 61.577 62.100 -0.046 0.000 0.960 548 T CB 1.594 70.440 68.868 -0.035 0.000 0.939 548 T HN 0.264 nan 8.240 nan 0.000 0.439 549 V N 4.078 123.944 119.914 -0.080 0.000 2.483 549 V HA 0.735 4.855 4.120 -0.000 0.000 0.297 549 V C 0.375 176.434 176.094 -0.058 0.000 1.027 549 V CA -0.753 61.496 62.300 -0.084 0.000 0.855 549 V CB 1.601 33.362 31.823 -0.104 0.000 0.995 549 V HN 1.115 nan 8.190 nan 0.000 0.424 550 T N 0.851 115.374 114.554 -0.052 0.000 2.742 550 T HA 0.555 4.905 4.350 -0.000 0.000 0.282 550 T C 1.290 175.968 174.700 -0.037 0.000 1.025 550 T CA 0.109 62.185 62.100 -0.039 0.000 1.020 550 T CB 1.622 70.471 68.868 -0.032 0.000 1.317 550 T HN 0.676 nan 8.240 nan 0.000 0.538 551 G N -0.250 108.533 108.800 -0.029 0.000 2.479 551 G HA2 0.101 4.061 3.960 -0.000 0.000 0.220 551 G HA3 0.101 4.061 3.960 -0.000 0.000 0.220 551 G C 1.408 176.291 174.900 -0.029 0.000 1.115 551 G CA 0.751 45.835 45.100 -0.026 0.000 0.757 551 G HN 1.162 nan 8.290 nan 0.000 0.560 552 A N -0.815 121.984 122.820 -0.035 0.000 2.178 552 A HA 0.579 4.899 4.320 -0.000 0.000 0.211 552 A C 1.374 178.928 177.584 -0.049 0.000 1.157 552 A CA 1.458 53.470 52.037 -0.043 0.000 0.780 552 A CB -0.139 18.828 19.000 -0.055 0.000 0.828 552 A HN 1.581 nan 8.150 nan 0.000 0.476 553 G N -1.157 107.614 108.800 -0.049 0.000 2.278 553 G HA2 0.276 4.235 3.960 -0.000 0.000 0.265 553 G HA3 0.276 4.235 3.960 -0.000 0.000 0.265 553 G C -1.068 173.796 174.900 -0.061 0.000 1.329 553 G CA -0.140 44.929 45.100 -0.051 0.000 1.017 553 G HN 0.553 nan 8.290 nan 0.000 0.472 554 E N -0.080 120.083 120.200 -0.062 0.000 2.292 554 E HA 0.680 5.030 4.350 -0.000 0.000 0.272 554 E C -0.821 175.741 176.600 -0.063 0.000 0.881 554 E CA -0.966 55.386 56.400 -0.079 0.000 0.754 554 E CB 1.404 31.042 29.700 -0.104 0.000 1.201 554 E HN 0.485 nan 8.360 nan 0.000 0.425 555 R N 1.998 122.462 120.500 -0.061 0.000 2.750 555 R HA 0.597 4.937 4.340 -0.000 0.000 0.281 555 R C -1.214 175.080 176.300 -0.010 0.000 0.972 555 R CA -0.988 55.094 56.100 -0.030 0.000 0.912 555 R CB 2.078 32.360 30.300 -0.029 0.000 1.187 555 R HN 0.346 nan 8.270 nan 0.000 0.464 556 V N 3.275 123.210 119.914 0.036 0.000 2.525 556 V HA 0.322 4.442 4.120 -0.000 0.000 0.299 556 V C -0.271 175.892 176.094 0.115 0.000 1.034 556 V CA -0.917 61.449 62.300 0.109 0.000 0.863 556 V CB 2.437 34.364 31.823 0.173 0.000 0.999 556 V HN 0.465 nan 8.190 nan 0.000 0.423 557 L N 6.408 127.717 121.223 0.143 0.000 2.292 557 L HA 0.618 4.958 4.340 -0.000 0.000 0.284 557 L C -0.932 176.065 176.870 0.211 0.000 1.065 557 L CA -0.004 54.909 54.840 0.122 0.000 0.806 557 L CB 1.215 43.326 42.059 0.087 0.000 1.175 557 L HN 0.591 nan 8.230 nan 0.000 0.431 558 L N 5.104 126.431 121.223 0.175 0.000 2.346 558 L HA 0.450 4.789 4.340 -0.000 0.000 0.276 558 L C -1.341 175.685 176.870 0.259 0.000 1.006 558 L CA -0.634 54.346 54.840 0.232 0.000 0.817 558 L CB 2.416 44.580 42.059 0.175 0.000 1.272 558 L HN 0.612 nan 8.230 nan 0.000 0.421 559 W N 3.837 125.177 121.300 0.066 0.000 2.756 559 W HA 0.335 4.995 4.660 -0.000 0.000 0.333 559 W C -0.704 175.841 176.519 0.043 0.000 1.025 559 W CA -1.336 56.028 57.345 0.032 0.000 1.246 559 W CB 1.418 30.894 29.460 0.028 0.000 1.358 559 W HN 0.369 nan 8.180 nan 0.000 0.444 560 N N 5.489 124.313 118.700 0.207 0.000 2.439 560 N HA 0.078 4.818 4.740 -0.000 0.000 0.243 560 N C 0.493 175.879 175.510 -0.207 0.000 1.088 560 N CA 0.058 53.115 53.050 0.012 0.000 0.940 560 N CB 0.690 39.225 38.487 0.080 0.000 1.180 560 N HN 0.410 nan 8.380 nan 0.000 0.505 561 L N 1.745 122.738 121.223 -0.383 0.000 2.478 561 L HA 0.229 4.568 4.340 -0.000 0.000 0.223 561 L C 1.493 178.231 176.870 -0.221 0.000 1.140 561 L CA 0.385 54.940 54.840 -0.474 0.000 0.842 561 L CB -1.613 40.120 42.059 -0.544 0.000 0.953 561 L HN 0.500 nan 8.230 nan 0.000 0.452 562 G N -0.777 107.948 108.800 -0.124 0.000 2.611 562 G HA2 0.156 4.116 3.960 -0.000 0.000 0.273 562 G HA3 0.156 4.116 3.960 -0.000 0.000 0.273 562 G C 0.638 175.518 174.900 -0.032 0.000 1.305 562 G CA -0.249 44.813 45.100 -0.064 0.000 1.010 562 G HN 0.184 nan 8.290 nan 0.000 0.509 563 Q N -0.415 119.375 119.800 -0.017 0.000 2.356 563 Q HA 0.109 4.449 4.340 -0.000 0.000 0.205 563 Q C 0.144 176.152 176.000 0.014 0.000 0.901 563 Q CA 0.263 56.065 55.803 -0.002 0.000 0.938 563 Q CB 0.515 29.248 28.738 -0.009 0.000 1.081 563 Q HN 0.779 nan 8.270 nan 0.000 0.517 564 D N -0.516 119.895 120.400 0.018 0.000 2.592 564 D HA 0.261 4.901 4.640 -0.000 0.000 0.259 564 D C -0.382 175.943 176.300 0.042 0.000 1.144 564 D CA -0.667 53.349 54.000 0.026 0.000 1.080 564 D CB 0.459 41.271 40.800 0.019 0.000 1.225 564 D HN -0.347 nan 8.370 nan 0.000 0.619 565 T N 0.470 115.051 114.554 0.045 0.000 2.799 565 T HA 0.515 4.865 4.350 -0.000 0.000 0.286 565 T C -0.096 174.634 174.700 0.050 0.000 0.973 565 T CA -0.724 61.411 62.100 0.058 0.000 1.035 565 T CB 0.747 69.650 68.868 0.058 0.000 0.932 565 T HN 0.128 nan 8.240 nan 0.000 0.469 566 R N 1.701 122.237 120.500 0.060 0.000 2.513 566 R HA 0.640 4.980 4.340 -0.000 0.000 0.301 566 R C -0.605 175.729 176.300 0.057 0.000 0.968 566 R CA -0.717 55.414 56.100 0.051 0.000 0.872 566 R CB 1.869 32.200 30.300 0.051 0.000 1.177 566 R HN 0.735 nan 8.270 nan 0.000 0.444 567 A N 2.526 125.372 122.820 0.043 0.000 2.363 567 A HA 0.255 4.575 4.320 -0.000 0.000 0.270 567 A C 1.318 178.921 177.584 0.032 0.000 1.121 567 A CA -0.505 51.557 52.037 0.041 0.000 0.800 567 A CB 0.640 19.656 19.000 0.028 0.000 1.052 567 A HN 0.534 nan 8.150 nan 0.000 0.493 568 V N 2.683 122.620 119.914 0.037 0.000 2.392 568 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 568 V C 2.837 178.927 176.094 -0.007 0.000 1.059 568 V CA 2.611 64.925 62.300 0.024 0.000 1.051 568 V CB -1.118 30.725 31.823 0.033 0.000 0.658 568 V HN 1.002 nan 8.190 nan 0.000 0.455 569 A N -0.436 122.381 122.820 -0.005 0.000 2.125 569 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 569 A C 1.982 179.546 177.584 -0.033 0.000 1.156 569 A CA 1.578 53.601 52.037 -0.023 0.000 0.671 569 A CB -0.336 18.657 19.000 -0.013 0.000 0.794 569 A HN 0.657 nan 8.150 nan 0.000 0.459 570 E N -0.696 119.491 120.200 -0.021 0.000 2.474 570 E HA 0.177 4.527 4.350 -0.000 0.000 0.195 570 E C -0.534 176.048 176.600 -0.031 0.000 1.039 570 E CA -0.332 56.053 56.400 -0.023 0.000 0.881 570 E CB 0.590 30.286 29.700 -0.008 0.000 0.970 570 E HN 0.299 nan 8.360 nan 0.000 0.486 571 V N 2.597 122.488 119.914 -0.038 0.000 2.508 571 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 571 V C 0.318 176.350 176.094 -0.104 0.000 1.041 571 V CA -0.120 62.154 62.300 -0.043 0.000 1.016 571 V CB 0.788 32.598 31.823 -0.022 0.000 0.984 571 V HN 0.095 nan 8.190 nan 0.000 0.478 572 K N 6.234 126.581 120.400 -0.088 0.000 2.312 572 K HA 0.559 4.879 4.320 -0.000 0.000 0.287 572 K C -0.868 175.606 176.600 -0.209 0.000 1.062 572 K CA -0.056 56.154 56.287 -0.130 0.000 0.934 572 K CB 0.555 33.008 32.500 -0.079 0.000 1.027 572 K HN 0.493 nan 8.250 nan 0.000 0.478 573 L N 4.458 125.456 121.223 -0.375 0.000 2.388 573 L HA 0.374 4.713 4.340 -0.000 0.000 0.264 573 L C -1.614 174.910 176.870 -0.577 0.000 0.998 573 L CA -1.862 52.549 54.840 -0.714 0.000 0.817 573 L CB 2.171 43.447 42.059 -1.305 0.000 1.338 573 L HN 0.519 nan 8.230 nan 0.000 0.414 574 P HA 0.098 nan 4.420 nan 0.000 0.255 574 P C -0.834 176.431 177.300 -0.058 0.000 1.357 574 P CA 0.372 63.383 63.100 -0.147 0.000 0.839 574 P CB -0.300 31.443 31.700 0.073 0.000 1.356 575 F N -4.030 115.796 119.950 -0.207 0.000 2.745 575 F HA 0.564 5.091 4.527 -0.000 0.000 0.316 575 F C -0.649 175.051 175.800 -0.167 0.000 1.155 575 F CA -1.373 56.525 58.000 -0.170 0.000 0.937 575 F CB 0.177 39.060 39.000 -0.195 0.000 1.361 575 F HN -0.514 nan 8.300 nan 0.000 0.472 576 T N 2.200 116.807 114.554 0.087 0.000 2.761 576 T HA 0.346 4.696 4.350 -0.000 0.000 0.296 576 T C -0.293 174.467 174.700 0.100 0.000 0.934 576 T CA -0.308 61.794 62.100 0.003 0.000 1.091 576 T CB 1.059 69.939 68.868 0.021 0.000 0.896 576 T HN 0.701 nan 8.240 nan 0.000 0.515 577 V N 7.114 127.002 119.914 -0.042 0.000 2.655 577 V HA 0.193 4.313 4.120 -0.000 0.000 0.300 577 V C -1.922 174.208 176.094 0.060 0.000 1.044 577 V CA -1.715 60.607 62.300 0.037 0.000 1.095 577 V CB 0.637 32.420 31.823 -0.065 0.000 0.952 577 V HN 0.710 nan 8.190 nan 0.000 0.485 578 P HA 0.227 nan 4.420 nan 0.000 0.269 578 P C -0.036 177.279 177.300 0.026 0.000 1.217 578 P CA 0.061 63.185 63.100 0.039 0.000 0.783 578 P CB 0.405 32.123 31.700 0.030 0.000 0.898 579 R N 0.592 121.101 120.500 0.015 0.000 2.254 579 R HA 0.155 4.495 4.340 -0.000 0.000 0.193 579 R C 0.430 176.738 176.300 0.014 0.000 0.929 579 R CA 0.113 56.221 56.100 0.012 0.000 1.038 579 R CB 0.152 30.455 30.300 0.006 0.000 1.009 579 R HN 0.397 nan 8.270 nan 0.000 0.512 580 R N 1.670 122.177 120.500 0.012 0.000 2.254 580 R HA 0.214 4.554 4.340 -0.000 0.000 0.318 580 R C -0.498 175.812 176.300 0.017 0.000 1.031 580 R CA -0.392 55.715 56.100 0.011 0.000 0.905 580 R CB 1.180 31.482 30.300 0.004 0.000 1.050 580 R HN 0.004 nan 8.270 nan 0.000 0.456 581 L N 5.878 127.115 121.223 0.024 0.000 2.369 581 L HA 0.073 4.412 4.340 -0.000 0.000 0.279 581 L C 0.320 177.204 176.870 0.024 0.000 1.108 581 L CA 0.271 55.132 54.840 0.035 0.000 0.852 581 L CB 0.533 42.622 42.059 0.050 0.000 1.169 581 L HN 0.836 nan 8.230 nan 0.000 0.452 582 L N 5.965 127.199 121.223 0.018 0.000 2.388 582 L HA 0.266 4.606 4.340 -0.000 0.000 0.209 582 L C 0.186 177.062 176.870 0.011 0.000 1.061 582 L CA 0.343 55.187 54.840 0.007 0.000 0.834 582 L CB 0.315 42.370 42.059 -0.007 0.000 1.029 582 L HN 0.520 nan 8.230 nan 0.000 0.473 583 L N -0.885 120.348 121.223 0.016 0.000 2.549 583 L HA 0.452 4.792 4.340 -0.000 0.000 0.259 583 L C -1.581 175.316 176.870 0.045 0.000 0.934 583 L CA -0.578 54.275 54.840 0.022 0.000 0.865 583 L CB 2.295 44.345 42.059 -0.015 0.000 1.352 583 L HN -0.088 nan 8.230 nan 0.000 0.410 584 H N 2.041 121.097 119.070 -0.023 0.000 2.529 584 H HA 0.305 4.861 4.556 -0.000 0.000 0.348 584 H C 0.299 175.602 175.328 -0.042 0.000 1.079 584 H CA 0.348 56.382 56.048 -0.023 0.000 1.198 584 H CB 2.245 32.000 29.762 -0.012 0.000 1.521 584 H HN 0.850 nan 8.280 nan 0.000 0.514 585 T N 0.901 115.451 114.554 -0.006 0.000 3.007 585 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 585 T C 0.630 175.375 174.700 0.076 0.000 1.107 585 T CA 0.851 62.952 62.100 0.002 0.000 1.118 585 T CB 0.234 69.040 68.868 -0.104 0.000 0.889 585 T HN 0.465 nan 8.240 nan 0.000 0.506 586 E N 0.642 121.002 120.200 0.266 0.000 2.558 586 E HA 0.323 4.673 4.350 -0.000 0.000 0.205 586 E C 1.308 177.896 176.600 -0.020 0.000 1.006 586 E CA 0.218 56.639 56.400 0.034 0.000 0.961 586 E CB 0.297 29.933 29.700 -0.107 0.000 1.044 586 E HN 0.626 nan 8.360 nan 0.000 0.465 587 G N 2.492 111.312 108.800 0.033 0.000 2.179 587 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.257 587 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.257 587 G C 0.286 175.088 174.900 -0.163 0.000 1.010 587 G CA 0.237 45.315 45.100 -0.036 0.000 0.736 587 G HN 0.185 nan 8.290 nan 0.000 0.513 588 R N -0.313 119.905 120.500 -0.470 0.000 2.615 588 R HA 0.366 4.706 4.340 -0.000 0.000 0.270 588 R C 1.155 177.302 176.300 -0.254 0.000 1.081 588 R CA 0.116 55.931 56.100 -0.474 0.000 1.154 588 R CB 0.610 30.425 30.300 -0.808 0.000 1.063 588 R HN 0.451 nan 8.270 nan 0.000 0.519 589 E N 0.424 120.541 120.200 -0.139 0.000 2.250 589 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 589 E C -0.352 176.234 176.600 -0.024 0.000 0.986 589 E CA 0.614 56.980 56.400 -0.057 0.000 0.849 589 E CB 0.327 30.004 29.700 -0.037 0.000 0.797 589 E HN 0.462 nan 8.360 nan 0.000 0.482 590 D N 0.199 120.581 120.400 -0.031 0.000 2.268 590 D HA 0.210 4.849 4.640 -0.000 0.000 0.249 590 D C -0.096 176.244 176.300 0.067 0.000 1.008 590 D CA -0.426 53.581 54.000 0.013 0.000 0.939 590 D CB 1.434 42.238 40.800 0.007 0.000 1.170 590 D HN -0.064 nan 8.370 nan 0.000 0.468 591 L N 1.451 122.719 121.223 0.076 0.000 2.391 591 L HA 0.179 4.519 4.340 -0.000 0.000 0.249 591 L C 0.026 176.959 176.870 0.104 0.000 1.308 591 L CA 0.406 55.308 54.840 0.104 0.000 1.209 591 L CB -0.568 41.531 42.059 0.065 0.000 1.401 591 L HN 0.082 nan 8.230 nan 0.000 0.416 592 T N 1.888 116.536 114.554 0.156 0.000 2.928 592 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 592 T C -0.248 174.592 174.700 0.234 0.000 1.000 592 T CA -0.390 61.794 62.100 0.140 0.000 0.989 592 T CB 1.707 70.629 68.868 0.091 0.000 1.005 592 T HN 0.139 nan 8.240 nan 0.000 0.442 593 L N 3.304 124.628 121.223 0.167 0.000 2.277 593 L HA 0.532 4.872 4.340 -0.000 0.000 0.284 593 L C 1.297 178.259 176.870 0.153 0.000 1.028 593 L CA -0.835 54.106 54.840 0.169 0.000 0.835 593 L CB 0.860 42.985 42.059 0.111 0.000 1.215 593 L HN 0.754 nan 8.230 nan 0.000 0.425 594 G N 2.145 111.056 108.800 0.184 0.000 2.732 594 G HA2 0.315 4.275 3.960 -0.000 0.000 0.244 594 G HA3 0.315 4.275 3.960 -0.000 0.000 0.244 594 G C 0.380 175.381 174.900 0.168 0.000 1.226 594 G CA -0.225 44.975 45.100 0.167 0.000 0.860 594 G HN 0.782 nan 8.290 nan 0.000 0.583 595 A N -0.491 122.416 122.820 0.144 0.000 2.573 595 A HA 0.483 4.803 4.320 -0.000 0.000 0.250 595 A C 1.746 179.439 177.584 0.183 0.000 1.049 595 A CA 1.391 53.500 52.037 0.120 0.000 0.767 595 A CB -0.679 18.370 19.000 0.081 0.000 0.965 595 A HN 2.659 nan 8.150 nan 0.000 0.514 596 G N 1.950 110.846 108.800 0.160 0.000 2.199 596 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 596 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 596 G C 0.065 175.248 174.900 0.471 0.000 0.982 596 G CA 0.602 45.871 45.100 0.281 0.000 0.632 596 G HN 0.883 nan 8.290 nan 0.000 0.529 597 E N 0.321 120.718 120.200 0.329 0.000 2.318 597 E HA 0.681 5.031 4.350 -0.000 0.000 0.265 597 E C 0.337 177.064 176.600 0.212 0.000 1.069 597 E CA 0.048 56.578 56.400 0.218 0.000 0.893 597 E CB 1.499 31.290 29.700 0.152 0.000 1.076 597 E HN 0.767 nan 8.360 nan 0.000 0.414 598 A N 1.377 124.169 122.820 -0.046 0.000 2.469 598 A HA 0.704 5.024 4.320 -0.000 0.000 0.299 598 A C -1.400 176.000 177.584 -0.307 0.000 1.098 598 A CA -0.644 51.329 52.037 -0.106 0.000 0.737 598 A CB 2.037 20.901 19.000 -0.227 0.000 1.312 598 A HN 0.353 nan 8.150 nan 0.000 0.414 599 V N 1.245 121.047 119.914 -0.186 0.000 2.971 599 V HA 0.688 4.808 4.120 -0.000 0.000 0.309 599 V C -1.795 174.266 176.094 -0.054 0.000 1.130 599 V CA -0.643 61.555 62.300 -0.170 0.000 0.964 599 V CB 1.895 33.626 31.823 -0.153 0.000 1.029 599 V HN 1.067 nan 8.190 nan 0.000 0.427 600 L N 7.217 128.417 121.223 -0.038 0.000 2.287 600 L HA 0.829 5.169 4.340 -0.000 0.000 0.287 600 L C -0.471 176.403 176.870 0.007 0.000 1.022 600 L CA -0.022 54.812 54.840 -0.010 0.000 0.814 600 L CB 1.632 43.675 42.059 -0.027 0.000 1.217 600 L HN 0.675 nan 8.230 nan 0.000 0.420 601 V N 2.082 122.009 119.914 0.021 0.000 2.919 601 V HA 1.117 5.237 4.120 -0.000 0.000 0.316 601 V C -0.042 176.060 176.094 0.013 0.000 1.077 601 V CA 0.085 62.398 62.300 0.022 0.000 0.977 601 V CB 1.207 33.051 31.823 0.036 0.000 1.039 601 V HN 0.922 nan 8.190 nan 0.000 0.441 602 G N 0.000 108.803 108.800 0.005 0.000 5.446 602 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 602 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 602 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 602 G HN 0.000 nan 8.290 nan 0.000 0.925