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 2bhu_1_A DATA FIRST_RESID 14 DATA SEQUENCE SFQTQHDPRT RLGATPLPGG AGTRFRLWTS TARTVAVRVN GTEHVMTSLG DATA SEQUENCE GGIYELELPV GPGARYLFVL DGVPTPDPYA RFLPDGVHGE AEVVDFGTFD DATA SEQUENCE WTDADWHGIK LADCVFYEVH VGTFTPEGTY RAAAEKLPYL KELGVTAIQV DATA SEQUENCE MPLAAFDGQR GWGYDGAAFY APYAPYGRPE DLMALVDAAH RLGLGVFLDV DATA SEQUENCE VYNHFGPSGN YLSSYAPSYF TDRFSSAWGM GLDYAEPHMR RYVTGNARMW DATA SEQUENCE LRDYHFDGLR LDATPYMTDD SETHILTELA QEIHELGGTH LLLAEDHRNL DATA SEQUENCE PDLVTVNHLD GIWTDDFHHE TRVTLTGEQE GYYAGYRGGA EALAYTIRRG DATA SEQUENCE WRYEGQFWAV KGEEHERGHP SDALEAPNFV YCIQNHDQIG NRPLGERLHQ DATA SEQUENCE SDGVTLHEYR GAAALLLTLP MTPLLFQGQE 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 0.048 0.000 1.107 14 S CB 0.000 63.225 63.200 0.041 0.000 0.593 15 F N 4.628 124.586 119.950 0.014 0.000 2.572 15 F HA 0.535 5.061 4.527 -0.000 0.000 0.370 15 F C 0.106 175.917 175.800 0.019 0.000 1.103 15 F CA 0.545 58.557 58.000 0.020 0.000 1.286 15 F CB 0.619 39.641 39.000 0.036 0.000 1.105 15 F HN 0.274 nan 8.300 nan 0.000 0.583 16 Q N 4.359 123.615 119.800 -0.906 0.000 2.333 16 Q HA 0.202 4.542 4.340 -0.000 0.000 0.267 16 Q C -0.201 175.178 176.000 -1.035 0.000 1.012 16 Q CA -1.005 54.395 55.803 -0.672 0.000 0.824 16 Q CB 1.857 30.380 28.738 -0.359 0.000 1.290 16 Q HN 0.785 nan 8.270 nan 0.000 0.449 17 T N 1.052 115.344 114.554 -0.436 0.000 2.937 17 T HA -0.062 4.288 4.350 -0.000 0.000 0.316 17 T C 0.940 175.533 174.700 -0.178 0.000 1.079 17 T CA 0.564 62.590 62.100 -0.123 0.000 1.131 17 T CB 0.552 69.504 68.868 0.141 0.000 1.000 17 T HN 0.575 nan 8.240 nan 0.000 0.549 18 Q N 1.600 121.325 119.800 -0.126 0.000 2.451 18 Q HA 0.032 4.371 4.340 -0.000 0.000 0.206 18 Q C 0.085 175.891 176.000 -0.323 0.000 0.947 18 Q CA 0.518 56.170 55.803 -0.251 0.000 0.937 18 Q CB 0.169 28.735 28.738 -0.286 0.000 1.025 18 Q HN 0.638 nan 8.270 nan 0.000 0.511 19 H N 0.432 119.505 119.070 0.005 0.000 2.467 19 H HA 0.279 4.835 4.556 -0.000 0.000 0.326 19 H C -0.894 174.434 175.328 0.001 0.000 1.094 19 H CA -0.249 55.809 56.048 0.016 0.000 1.253 19 H CB 1.429 31.218 29.762 0.046 0.000 1.439 19 H HN -0.011 nan 8.280 nan 0.000 0.479 20 D N 3.666 124.126 120.400 0.100 0.000 2.863 20 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 20 D C -2.108 174.225 176.300 0.056 0.000 1.211 20 D CA -2.282 51.750 54.000 0.054 0.000 0.888 20 D CB 2.577 43.383 40.800 0.011 0.000 1.483 20 D HN 0.096 nan 8.370 nan 0.000 0.533 21 P HA -0.063 nan 4.420 nan 0.000 0.217 21 P C 1.046 178.356 177.300 0.017 0.000 1.148 21 P CA 0.998 64.120 63.100 0.036 0.000 0.828 21 P CB 0.291 32.010 31.700 0.033 0.000 0.783 22 R N -1.007 119.499 120.500 0.010 0.000 2.237 22 R HA -0.006 4.334 4.340 -0.000 0.000 0.219 22 R C 1.239 177.535 176.300 -0.006 0.000 1.080 22 R CA 1.637 57.736 56.100 -0.002 0.000 0.995 22 R CB -0.619 29.679 30.300 -0.003 0.000 0.875 22 R HN 0.325 nan 8.270 nan 0.000 0.462 23 T N -2.878 111.675 114.554 -0.001 0.000 3.182 23 T HA 0.172 4.522 4.350 -0.000 0.000 0.277 23 T C 0.409 175.103 174.700 -0.009 0.000 1.013 23 T CA -0.579 61.516 62.100 -0.008 0.000 0.900 23 T CB 0.174 69.033 68.868 -0.013 0.000 1.098 23 T HN 0.000 nan 8.240 nan 0.000 0.543 24 R N 1.790 122.288 120.500 -0.003 0.000 2.522 24 R HA 0.310 4.650 4.340 -0.000 0.000 0.284 24 R C -0.221 176.026 176.300 -0.088 0.000 1.032 24 R CA -0.343 55.750 56.100 -0.012 0.000 1.049 24 R CB 0.172 30.476 30.300 0.007 0.000 0.956 24 R HN 0.403 nan 8.270 nan 0.000 0.422 25 L N 4.494 125.589 121.223 -0.213 0.000 2.439 25 L HA 0.299 4.639 4.340 -0.000 0.000 0.269 25 L C 1.269 177.964 176.870 -0.291 0.000 1.179 25 L CA 0.846 55.441 54.840 -0.410 0.000 0.828 25 L CB 0.819 42.295 42.059 -0.972 0.000 1.106 25 L HN 1.098 nan 8.230 nan 0.000 0.467 26 G N 1.707 110.467 108.800 -0.066 0.000 2.445 26 G HA2 0.039 3.999 3.960 -0.000 0.000 0.212 26 G HA3 0.039 3.999 3.960 -0.000 0.000 0.212 26 G C -0.960 174.030 174.900 0.149 0.000 1.217 26 G CA -0.239 44.992 45.100 0.217 0.000 1.002 26 G HN 1.010 nan 8.290 nan 0.000 0.574 27 A N -0.292 122.540 122.820 0.020 0.000 2.304 27 A HA 0.840 5.160 4.320 -0.000 0.000 0.314 27 A C -0.089 177.347 177.584 -0.248 0.000 1.187 27 A CA 0.672 52.483 52.037 -0.376 0.000 0.810 27 A CB 1.291 19.916 19.000 -0.625 0.000 1.183 27 A HN 1.562 nan 8.150 nan 0.000 0.487 28 T N 4.707 119.079 114.554 -0.302 0.000 2.881 28 T HA 0.520 4.870 4.350 -0.000 0.000 0.291 28 T C -2.914 171.673 174.700 -0.189 0.000 0.990 28 T CA -1.047 60.960 62.100 -0.155 0.000 0.976 28 T CB 1.562 70.387 68.868 -0.072 0.000 0.970 28 T HN 0.382 nan 8.240 nan 0.000 0.438 29 P HA 0.130 nan 4.420 nan 0.000 0.265 29 P C -0.455 176.797 177.300 -0.079 0.000 1.187 29 P CA -0.154 62.877 63.100 -0.114 0.000 0.766 29 P CB 0.454 32.110 31.700 -0.074 0.000 0.820 30 L N 5.177 126.354 121.223 -0.077 0.000 2.421 30 L HA 0.427 4.767 4.340 -0.000 0.000 0.263 30 L C -1.569 175.285 176.870 -0.027 0.000 1.122 30 L CA -1.997 52.813 54.840 -0.049 0.000 0.804 30 L CB 0.264 42.294 42.059 -0.048 0.000 1.150 30 L HN 0.309 nan 8.230 nan 0.000 0.457 31 P HA 0.118 nan 4.420 nan 0.000 0.274 31 P C 0.457 177.753 177.300 -0.006 0.000 1.246 31 P CA -0.021 63.076 63.100 -0.005 0.000 0.795 31 P CB 0.630 32.330 31.700 0.000 0.000 1.006 32 G N -0.107 108.692 108.800 -0.002 0.000 2.203 32 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.263 32 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.263 32 G C 0.845 175.742 174.900 -0.004 0.000 1.012 32 G CA 0.660 45.758 45.100 -0.002 0.000 0.749 32 G HN 1.122 nan 8.290 nan 0.000 0.512 33 G N -1.458 107.337 108.800 -0.007 0.000 2.225 33 G HA2 0.068 4.028 3.960 -0.000 0.000 0.267 33 G HA3 0.068 4.028 3.960 -0.000 0.000 0.267 33 G C 1.298 176.192 174.900 -0.010 0.000 1.024 33 G CA 1.276 46.370 45.100 -0.009 0.000 0.784 33 G HN 2.145 nan 8.290 nan 0.000 0.507 34 A N -1.198 121.614 122.820 -0.013 0.000 2.206 34 A HA 0.586 4.906 4.320 -0.000 0.000 0.211 34 A C 2.295 179.869 177.584 -0.018 0.000 1.158 34 A CA 1.968 53.997 52.037 -0.012 0.000 0.761 34 A CB -0.162 18.831 19.000 -0.011 0.000 0.801 34 A HN 2.591 nan 8.150 nan 0.000 0.473 35 G N -2.140 106.642 108.800 -0.030 0.000 2.348 35 G HA2 0.121 4.081 3.960 -0.000 0.000 0.199 35 G HA3 0.121 4.081 3.960 -0.000 0.000 0.199 35 G C -0.297 174.547 174.900 -0.093 0.000 1.235 35 G CA -0.151 44.925 45.100 -0.041 0.000 1.264 35 G HN 0.737 nan 8.290 nan 0.000 0.543 36 T N 0.531 115.000 114.554 -0.141 0.000 2.916 36 T HA 0.651 5.000 4.350 -0.000 0.000 0.298 36 T C -0.308 174.159 174.700 -0.387 0.000 1.031 36 T CA -0.509 61.385 62.100 -0.343 0.000 0.993 36 T CB 2.137 70.665 68.868 -0.565 0.000 1.045 36 T HN 0.705 nan 8.240 nan 0.000 0.454 37 R N 2.301 122.564 120.500 -0.395 0.000 2.255 37 R HA 0.549 4.889 4.340 -0.000 0.000 0.326 37 R C -1.381 174.674 176.300 -0.409 0.000 0.986 37 R CA -0.489 55.457 56.100 -0.257 0.000 0.847 37 R CB 0.338 30.565 30.300 -0.123 0.000 1.111 37 R HN 0.454 nan 8.270 nan 0.000 0.452 38 F N 3.494 123.442 119.950 -0.004 0.000 2.420 38 F HA 0.533 5.059 4.527 -0.000 0.000 0.342 38 F C 0.442 176.300 175.800 0.097 0.000 1.113 38 F CA -0.475 57.569 58.000 0.074 0.000 1.059 38 F CB 1.631 40.716 39.000 0.141 0.000 1.128 38 F HN 0.327 nan 8.300 nan 0.000 0.475 39 R N 3.126 123.763 120.500 0.229 0.000 2.698 39 R HA 0.845 5.185 4.340 -0.000 0.000 0.275 39 R C -1.739 174.527 176.300 -0.056 0.000 1.001 39 R CA -1.119 55.027 56.100 0.077 0.000 0.896 39 R CB 2.655 32.964 30.300 0.015 0.000 1.218 39 R HN 0.604 nan 8.270 nan 0.000 0.462 40 L N -1.751 119.416 121.223 -0.093 0.000 2.479 40 L HA 0.741 5.081 4.340 -0.000 0.000 0.255 40 L C -1.708 175.224 176.870 0.103 0.000 1.026 40 L CA -0.794 53.964 54.840 -0.136 0.000 0.842 40 L CB 1.368 43.189 42.059 -0.397 0.000 1.444 40 L HN 0.686 nan 8.230 nan 0.000 0.409 41 W N 0.888 122.148 121.300 -0.067 0.000 2.600 41 W HA 0.799 5.459 4.660 -0.001 0.000 0.325 41 W C -1.184 175.383 176.519 0.081 0.000 1.034 41 W CA -0.433 56.878 57.345 -0.056 0.000 1.226 41 W CB 1.887 31.121 29.460 -0.377 0.000 1.379 41 W HN 0.896 nan 8.180 nan 0.000 0.466 42 T N 3.421 117.720 114.554 -0.425 0.000 2.916 42 T HA 0.331 4.681 4.350 -0.000 0.000 0.298 42 T C 0.646 174.986 174.700 -0.599 0.000 1.031 42 T CA 0.057 61.822 62.100 -0.559 0.000 0.993 42 T CB 1.304 70.028 68.868 -0.240 0.000 1.045 42 T HN 0.479 nan 8.240 nan 0.000 0.454 43 S N 1.959 117.259 115.700 -0.667 0.000 2.503 43 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 43 S C 1.518 176.027 174.600 -0.151 0.000 0.999 43 S CA 0.852 58.859 58.200 -0.322 0.000 0.914 43 S CB -0.148 62.879 63.200 -0.289 0.000 0.782 43 S HN 0.883 nan 8.310 nan 0.000 0.520 44 T N -1.866 112.585 114.554 -0.173 0.000 2.969 44 T HA 0.582 4.932 4.350 -0.000 0.000 0.258 44 T C 0.622 175.257 174.700 -0.109 0.000 0.962 44 T CA 0.289 62.322 62.100 -0.112 0.000 0.903 44 T CB -0.137 68.666 68.868 -0.109 0.000 1.177 44 T HN 0.468 nan 8.240 nan 0.000 0.511 45 A N 1.704 124.431 122.820 -0.154 0.000 2.407 45 A HA 0.581 4.900 4.320 -0.000 0.000 0.248 45 A C 1.250 178.763 177.584 -0.119 0.000 1.082 45 A CA -0.530 51.405 52.037 -0.169 0.000 0.785 45 A CB 0.398 19.237 19.000 -0.268 0.000 1.020 45 A HN 0.445 nan 8.150 nan 0.000 0.489 46 R N 0.056 120.499 120.500 -0.095 0.000 2.175 46 R HA 0.071 4.411 4.340 -0.000 0.000 0.202 46 R C 0.133 176.399 176.300 -0.056 0.000 1.018 46 R CA 1.235 57.307 56.100 -0.047 0.000 1.029 46 R CB 0.129 30.411 30.300 -0.031 0.000 0.959 46 R HN 0.842 nan 8.270 nan 0.000 0.480 47 T N -1.390 113.104 114.554 -0.099 0.000 2.841 47 T HA 0.610 4.959 4.350 -0.000 0.000 0.283 47 T C -0.489 174.103 174.700 -0.179 0.000 1.000 47 T CA -0.710 61.332 62.100 -0.097 0.000 0.977 47 T CB 2.389 71.221 68.868 -0.059 0.000 0.979 47 T HN -0.210 nan 8.240 nan 0.000 0.446 48 V N 1.767 121.563 119.914 -0.196 0.000 2.569 48 V HA 0.848 4.968 4.120 -0.000 0.000 0.301 48 V C -0.094 175.953 176.094 -0.079 0.000 1.044 48 V CA -0.695 61.444 62.300 -0.269 0.000 0.874 48 V CB 1.139 32.522 31.823 -0.733 0.000 1.002 48 V HN 1.421 nan 8.190 nan 0.000 0.424 49 A N 3.689 126.509 122.820 0.001 0.000 2.527 49 A HA 0.956 5.275 4.320 -0.000 0.000 0.293 49 A C -1.369 176.330 177.584 0.190 0.000 1.117 49 A CA -0.757 51.328 52.037 0.080 0.000 0.723 49 A CB 2.324 21.346 19.000 0.038 0.000 1.313 49 A HN 1.045 nan 8.150 nan 0.000 0.411 50 V N 0.856 120.871 119.914 0.168 0.000 2.555 50 V HA 0.688 4.808 4.120 -0.000 0.000 0.302 50 V C -0.230 175.862 176.094 -0.003 0.000 1.038 50 V CA -0.764 61.592 62.300 0.093 0.000 0.887 50 V CB 1.525 33.286 31.823 -0.103 0.000 0.991 50 V HN 0.891 nan 8.190 nan 0.000 0.434 51 R N 5.015 125.480 120.500 -0.059 0.000 2.246 51 R HA 0.666 5.006 4.340 -0.000 0.000 0.332 51 R C -1.763 174.512 176.300 -0.042 0.000 0.974 51 R CA -0.376 55.704 56.100 -0.034 0.000 0.837 51 R CB 1.491 31.765 30.300 -0.044 0.000 1.145 51 R HN 0.612 nan 8.270 nan 0.000 0.467 52 V N 5.689 125.611 119.914 0.013 0.000 2.378 52 V HA 0.186 4.306 4.120 -0.000 0.000 0.288 52 V C -0.086 176.048 176.094 0.066 0.000 1.016 52 V CA -0.960 61.354 62.300 0.022 0.000 0.840 52 V CB 1.510 33.305 31.823 -0.047 0.000 0.994 52 V HN 0.952 nan 8.190 nan 0.000 0.431 53 N N 4.202 122.937 118.700 0.059 0.000 2.721 53 N HA -0.232 4.508 4.740 -0.000 0.000 0.249 53 N C 1.193 176.719 175.510 0.027 0.000 1.072 53 N CA 1.527 54.605 53.050 0.048 0.000 0.710 53 N CB -1.077 37.446 38.487 0.060 0.000 0.993 53 N HN 1.517 nan 8.380 nan 0.000 0.547 54 G N -2.676 106.129 108.800 0.008 0.000 2.217 54 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 54 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 54 G C 0.148 175.032 174.900 -0.027 0.000 0.990 54 G CA 0.582 45.676 45.100 -0.011 0.000 0.627 54 G HN 0.506 nan 8.290 nan 0.000 0.522 55 T N 2.109 116.650 114.554 -0.022 0.000 2.749 55 T HA 0.517 4.867 4.350 -0.000 0.000 0.287 55 T C 0.018 174.611 174.700 -0.179 0.000 0.970 55 T CA -0.394 61.644 62.100 -0.103 0.000 0.980 55 T CB 1.649 70.465 68.868 -0.086 0.000 0.924 55 T HN 0.366 nan 8.240 nan 0.000 0.456 56 E N 2.408 122.476 120.200 -0.220 0.000 2.354 56 E HA 0.251 4.601 4.350 -0.000 0.000 0.269 56 E C -0.726 175.623 176.600 -0.420 0.000 1.036 56 E CA -0.317 55.971 56.400 -0.187 0.000 0.876 56 E CB 0.600 30.238 29.700 -0.103 0.000 1.009 56 E HN 0.607 nan 8.360 nan 0.000 0.416 57 H N -0.300 118.751 119.070 -0.030 0.000 2.782 57 H HA 0.215 4.771 4.556 -0.000 0.000 0.347 57 H C -0.834 174.500 175.328 0.011 0.000 1.038 57 H CA -0.680 55.360 56.048 -0.012 0.000 1.255 57 H CB 1.188 30.936 29.762 -0.024 0.000 1.623 57 H HN 0.157 nan 8.280 nan 0.000 0.525 58 V N 4.510 124.497 119.914 0.121 0.000 2.655 58 V HA 0.012 4.132 4.120 -0.000 0.000 0.300 58 V C 0.597 176.773 176.094 0.136 0.000 1.044 58 V CA 0.308 62.669 62.300 0.102 0.000 1.095 58 V CB 0.124 31.992 31.823 0.074 0.000 0.952 58 V HN 0.727 nan 8.190 nan 0.000 0.485 59 M N 3.000 122.691 119.600 0.152 0.000 2.359 59 M HA 0.335 4.814 4.480 -0.000 0.000 0.322 59 M C 0.220 176.666 176.300 0.242 0.000 1.166 59 M CA -0.222 55.200 55.300 0.203 0.000 1.067 59 M CB 1.292 34.034 32.600 0.237 0.000 1.523 59 M HN 0.558 nan 8.290 nan 0.000 0.467 60 T N 1.011 115.676 114.554 0.186 0.000 2.817 60 T HA 0.171 4.521 4.350 -0.000 0.000 0.293 60 T C -0.026 174.665 174.700 -0.015 0.000 0.964 60 T CA -0.405 61.755 62.100 0.100 0.000 1.085 60 T CB 0.873 69.772 68.868 0.052 0.000 0.921 60 T HN 0.638 nan 8.240 nan 0.000 0.502 61 S N 2.870 118.480 115.700 -0.149 0.000 2.474 61 S HA 0.282 4.752 4.470 -0.000 0.000 0.276 61 S C 0.962 175.373 174.600 -0.315 0.000 1.227 61 S CA -0.788 57.077 58.200 -0.559 0.000 1.050 61 S CB -0.126 62.849 63.200 -0.375 0.000 0.939 61 S HN 0.632 nan 8.310 nan 0.000 0.490 62 L N 4.682 125.707 121.223 -0.330 0.000 2.616 62 L HA 0.397 4.737 4.340 -0.000 0.000 0.229 62 L C 1.202 177.999 176.870 -0.122 0.000 1.110 62 L CA 0.161 54.904 54.840 -0.161 0.000 0.884 62 L CB -0.690 41.304 42.059 -0.107 0.000 1.115 62 L HN 0.943 nan 8.230 nan 0.000 0.481 63 G N -0.554 108.156 108.800 -0.150 0.000 2.690 63 G HA2 0.129 4.089 3.960 -0.000 0.000 0.686 63 G HA3 0.129 4.089 3.960 -0.000 0.000 0.686 63 G C 0.529 175.420 174.900 -0.015 0.000 1.277 63 G CA -0.435 44.624 45.100 -0.069 0.000 0.799 63 G HN 0.484 nan 8.290 nan 0.000 0.613 64 G N -0.870 107.955 108.800 0.042 0.000 2.168 64 G HA2 0.348 4.308 3.960 -0.000 0.000 0.257 64 G HA3 0.348 4.308 3.960 -0.000 0.000 0.257 64 G C 2.055 177.120 174.900 0.275 0.000 0.997 64 G CA 1.102 46.274 45.100 0.120 0.000 0.708 64 G HN 3.147 nan 8.290 nan 0.000 0.520 65 G N -1.498 107.434 108.800 0.219 0.000 2.148 65 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 65 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 65 G C 0.302 175.431 174.900 0.380 0.000 0.981 65 G CA 0.462 45.758 45.100 0.327 0.000 0.670 65 G HN 1.213 nan 8.290 nan 0.000 0.528 66 I N 0.436 121.102 120.570 0.159 0.000 2.395 66 I HA 0.504 4.674 4.170 -0.000 0.000 0.289 66 I C 0.171 176.206 176.117 -0.137 0.000 1.023 66 I CA -0.975 60.392 61.300 0.112 0.000 1.350 66 I CB 0.439 38.471 38.000 0.054 0.000 1.409 66 I HN 0.075 nan 8.210 nan 0.000 0.507 67 Y N 3.873 124.194 120.300 0.034 0.000 2.462 67 Y HA 0.524 5.074 4.550 -0.000 0.000 0.346 67 Y C 0.210 176.121 175.900 0.019 0.000 0.976 67 Y CA -0.682 57.428 58.100 0.016 0.000 1.044 67 Y CB 2.289 40.743 38.460 -0.010 0.000 1.230 67 Y HN 0.537 nan 8.280 nan 0.000 0.455 68 E N 2.364 122.660 120.200 0.161 0.000 2.356 68 E HA 0.699 5.049 4.350 -0.000 0.000 0.275 68 E C -2.328 174.369 176.600 0.162 0.000 0.904 68 E CA -0.881 55.603 56.400 0.139 0.000 0.757 68 E CB 2.494 32.237 29.700 0.071 0.000 1.232 68 E HN 0.551 nan 8.360 nan 0.000 0.442 69 L N 2.137 123.480 121.223 0.200 0.000 2.549 69 L HA 0.407 4.747 4.340 -0.000 0.000 0.259 69 L C -1.749 175.248 176.870 0.211 0.000 0.934 69 L CA -0.139 54.810 54.840 0.181 0.000 0.865 69 L CB 2.216 44.379 42.059 0.173 0.000 1.352 69 L HN 0.603 nan 8.230 nan 0.000 0.410 70 E N 4.809 125.083 120.200 0.124 0.000 2.166 70 E HA 0.720 5.070 4.350 -0.000 0.000 0.275 70 E C -1.372 175.272 176.600 0.074 0.000 0.941 70 E CA -0.532 55.921 56.400 0.089 0.000 0.784 70 E CB 2.074 31.794 29.700 0.033 0.000 1.115 70 E HN 0.432 nan 8.360 nan 0.000 0.399 71 L N 3.368 124.646 121.223 0.092 0.000 2.393 71 L HA 0.396 4.736 4.340 -0.000 0.000 0.260 71 L C -2.349 174.540 176.870 0.031 0.000 1.002 71 L CA -2.344 52.517 54.840 0.035 0.000 0.818 71 L CB 2.523 44.582 42.059 -0.000 0.000 1.369 71 L HN 0.334 nan 8.230 nan 0.000 0.412 72 P HA 0.047 nan 4.420 nan 0.000 0.228 72 P C -0.640 176.673 177.300 0.021 0.000 1.748 72 P CA 0.054 63.161 63.100 0.012 0.000 0.909 72 P CB -0.231 31.476 31.700 0.011 0.000 1.882 73 V N -2.309 117.626 119.914 0.034 0.000 2.769 73 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 73 V C 0.321 176.425 176.094 0.017 0.000 1.058 73 V CA -0.800 61.528 62.300 0.047 0.000 0.952 73 V CB 1.873 33.757 31.823 0.101 0.000 1.019 73 V HN 0.219 nan 8.190 nan 0.000 0.445 74 G N 1.586 110.396 108.800 0.017 0.000 2.820 74 G HA2 0.744 4.704 3.960 -0.000 0.000 0.291 74 G HA3 0.744 4.704 3.960 -0.000 0.000 0.291 74 G C -3.057 171.842 174.900 -0.001 0.000 1.323 74 G CA -1.973 43.123 45.100 -0.007 0.000 1.055 74 G HN 0.693 nan 8.290 nan 0.000 0.520 75 P HA 0.229 nan 4.420 nan 0.000 0.264 75 P C 0.888 178.196 177.300 0.013 0.000 1.183 75 P CA 1.650 64.738 63.100 -0.020 0.000 0.763 75 P CB 0.992 32.662 31.700 -0.049 0.000 0.807 76 G N 1.589 110.414 108.800 0.042 0.000 2.254 76 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.225 76 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.225 76 G C 0.457 175.416 174.900 0.098 0.000 1.003 76 G CA -0.029 45.109 45.100 0.065 0.000 0.622 76 G HN 0.842 nan 8.290 nan 0.000 0.507 77 A N 0.980 123.868 122.820 0.113 0.000 2.520 77 A HA 0.591 4.911 4.320 -0.000 0.000 0.235 77 A C 0.673 178.388 177.584 0.218 0.000 1.065 77 A CA 0.499 52.626 52.037 0.150 0.000 0.764 77 A CB 0.242 19.344 19.000 0.171 0.000 1.002 77 A HN 0.415 nan 8.150 nan 0.000 0.502 78 R N 0.534 121.142 120.500 0.179 0.000 2.460 78 R HA 0.592 4.932 4.340 -0.000 0.000 0.303 78 R C -1.089 175.317 176.300 0.176 0.000 0.968 78 R CA -0.219 55.967 56.100 0.143 0.000 0.889 78 R CB 1.058 31.388 30.300 0.050 0.000 1.123 78 R HN 0.857 nan 8.270 nan 0.000 0.455 79 Y N -0.100 120.175 120.300 -0.042 0.000 2.656 79 Y HA 0.701 5.251 4.550 -0.000 0.000 0.334 79 Y C -1.538 174.232 175.900 -0.217 0.000 1.179 79 Y CA -1.465 56.544 58.100 -0.151 0.000 1.050 79 Y CB 1.030 39.365 38.460 -0.208 0.000 1.308 79 Y HN 0.367 nan 8.280 nan 0.000 0.456 80 L N -0.926 120.104 121.223 -0.322 0.000 2.654 80 L HA 0.796 5.136 4.340 -0.000 0.000 0.257 80 L C -1.850 174.808 176.870 -0.353 0.000 1.093 80 L CA -1.474 53.124 54.840 -0.403 0.000 0.903 80 L CB 0.838 42.742 42.059 -0.260 0.000 1.520 80 L HN 0.589 nan 8.230 nan 0.000 0.402 81 F N -0.168 119.841 119.950 0.100 0.000 2.432 81 F HA 0.820 5.347 4.527 -0.000 0.000 0.329 81 F C 0.030 175.813 175.800 -0.029 0.000 1.076 81 F CA -0.960 57.090 58.000 0.084 0.000 1.018 81 F CB 2.136 41.268 39.000 0.220 0.000 1.201 81 F HN 0.230 nan 8.300 nan 0.000 0.489 82 V N 3.950 123.955 119.914 0.152 0.000 2.376 82 V HA 0.400 4.520 4.120 -0.000 0.000 0.287 82 V C -0.550 175.510 176.094 -0.056 0.000 1.015 82 V CA -0.696 61.609 62.300 0.009 0.000 0.834 82 V CB 1.356 33.176 31.823 -0.005 0.000 1.001 82 V HN 0.494 nan 8.190 nan 0.000 0.428 83 L N 4.239 125.387 121.223 -0.125 0.000 2.294 83 L HA 0.566 4.906 4.340 -0.000 0.000 0.283 83 L C 0.027 176.809 176.870 -0.147 0.000 1.015 83 L CA -0.629 54.094 54.840 -0.194 0.000 0.831 83 L CB 1.212 43.082 42.059 -0.314 0.000 1.217 83 L HN 0.599 nan 8.230 nan 0.000 0.420 84 D N 3.447 123.769 120.400 -0.129 0.000 2.701 84 D HA -0.209 4.431 4.640 -0.000 0.000 0.235 84 D C 1.224 177.480 176.300 -0.074 0.000 1.155 84 D CA 1.508 55.452 54.000 -0.093 0.000 0.649 84 D CB -0.751 39.995 40.800 -0.091 0.000 1.050 84 D HN 1.106 nan 8.370 nan 0.000 0.425 85 G N -2.280 106.479 108.800 -0.069 0.000 2.179 85 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 85 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 85 G C 0.361 175.228 174.900 -0.055 0.000 0.977 85 G CA 0.259 45.327 45.100 -0.055 0.000 0.641 85 G HN 0.638 nan 8.290 nan 0.000 0.533 86 V N 2.556 122.429 119.914 -0.068 0.000 2.350 86 V HA 0.449 4.569 4.120 -0.000 0.000 0.276 86 V C -1.813 174.236 176.094 -0.075 0.000 1.028 86 V CA -1.742 60.519 62.300 -0.066 0.000 0.860 86 V CB 1.566 33.348 31.823 -0.068 0.000 0.990 86 V HN 0.109 nan 8.190 nan 0.000 0.453 87 P HA 0.236 nan 4.420 nan 0.000 0.267 87 P C -0.373 176.856 177.300 -0.119 0.000 1.209 87 P CA 0.274 63.328 63.100 -0.076 0.000 0.763 87 P CB 0.358 32.015 31.700 -0.071 0.000 0.816 88 T N 4.921 119.399 114.554 -0.128 0.000 2.928 88 T HA 0.416 4.766 4.350 -0.000 0.000 0.296 88 T C -2.668 171.935 174.700 -0.162 0.000 1.000 88 T CA -1.671 60.295 62.100 -0.223 0.000 0.989 88 T CB 1.397 70.159 68.868 -0.178 0.000 1.005 88 T HN 0.101 nan 8.240 nan 0.000 0.442 89 P HA 0.107 nan 4.420 nan 0.000 0.269 89 P C -0.529 176.846 177.300 0.125 0.000 1.217 89 P CA -0.307 62.676 63.100 -0.196 0.000 0.783 89 P CB 0.449 31.987 31.700 -0.271 0.000 0.898 90 D N 2.345 122.819 120.400 0.123 0.000 2.325 90 D HA 0.113 4.753 4.640 -0.000 0.000 0.251 90 D C -1.631 174.802 176.300 0.222 0.000 1.196 90 D CA -2.152 52.047 54.000 0.332 0.000 0.866 90 D CB 0.360 41.379 40.800 0.365 0.000 1.101 90 D HN 0.102 nan 8.370 nan 0.000 0.476 91 P HA -0.102 nan 4.420 nan 0.000 0.222 91 P C 0.240 177.545 177.300 0.008 0.000 1.147 91 P CA 1.033 64.147 63.100 0.023 0.000 0.790 91 P CB -0.018 31.530 31.700 -0.253 0.000 0.780 92 Y N -0.988 119.389 120.300 0.128 0.000 2.493 92 Y HA 0.398 4.948 4.550 -0.000 0.000 0.275 92 Y C 1.275 177.184 175.900 0.016 0.000 1.183 92 Y CA -0.774 57.264 58.100 -0.103 0.000 1.258 92 Y CB -0.765 37.593 38.460 -0.171 0.000 1.108 92 Y HN -0.159 nan 8.280 nan 0.000 0.521 93 A N 0.805 123.776 122.820 0.253 0.000 2.565 93 A HA 0.048 4.368 4.320 -0.000 0.000 0.237 93 A C 1.243 179.001 177.584 0.290 0.000 1.053 93 A CA -0.133 52.056 52.037 0.253 0.000 0.755 93 A CB 0.448 19.534 19.000 0.142 0.000 0.980 93 A HN 0.334 nan 8.150 nan 0.000 0.506 94 R N 0.263 120.958 120.500 0.325 0.000 2.280 94 R HA 0.263 4.603 4.340 -0.000 0.000 0.195 94 R C -0.853 175.728 176.300 0.470 0.000 0.935 94 R CA 0.434 56.770 56.100 0.393 0.000 1.033 94 R CB -0.386 30.133 30.300 0.364 0.000 0.964 94 R HN 0.658 nan 8.270 nan 0.000 0.489 95 F N -0.620 119.434 119.950 0.173 0.000 2.672 95 F HA 0.349 4.876 4.527 -0.000 0.000 0.311 95 F C -1.604 174.242 175.800 0.076 0.000 1.113 95 F CA -1.160 56.923 58.000 0.138 0.000 0.996 95 F CB 1.219 40.290 39.000 0.118 0.000 1.286 95 F HN -0.233 nan 8.300 nan 0.000 0.441 96 L N 7.690 128.555 121.223 -0.596 0.000 2.470 96 L HA 0.353 4.693 4.340 -0.000 0.000 0.253 96 L C -1.904 174.555 176.870 -0.685 0.000 1.163 96 L CA -1.366 53.202 54.840 -0.453 0.000 0.932 96 L CB 1.431 43.347 42.059 -0.239 0.000 1.213 96 L HN 0.397 nan 8.230 nan 0.000 0.485 97 P HA -0.109 nan 4.420 nan 0.000 0.220 97 P C 0.340 177.482 177.300 -0.265 0.000 1.148 97 P CA 1.147 63.978 63.100 -0.450 0.000 0.803 97 P CB 0.324 31.968 31.700 -0.093 0.000 0.782 98 D N -0.789 119.488 120.400 -0.205 0.000 2.388 98 D HA 0.303 4.943 4.640 -0.000 0.000 0.221 98 D C 1.224 177.447 176.300 -0.130 0.000 1.133 98 D CA 0.439 54.359 54.000 -0.134 0.000 0.831 98 D CB 0.334 41.086 40.800 -0.080 0.000 0.962 98 D HN 0.111 nan 8.370 nan 0.000 0.502 99 G N 0.687 109.370 108.800 -0.195 0.000 2.728 99 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.294 99 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.294 99 G C 0.950 175.769 174.900 -0.135 0.000 1.342 99 G CA -0.290 44.714 45.100 -0.160 0.000 0.866 99 G HN 0.334 nan 8.290 nan 0.000 0.534 100 V N -3.058 116.757 119.914 -0.166 0.000 3.141 100 V HA 0.091 4.211 4.120 -0.000 0.000 0.265 100 V C 1.704 177.680 176.094 -0.195 0.000 1.126 100 V CA 2.279 64.470 62.300 -0.182 0.000 1.141 100 V CB -0.535 31.174 31.823 -0.189 0.000 0.743 100 V HN 0.773 nan 8.190 nan 0.000 0.492 101 H N 0.649 119.788 119.070 0.116 0.000 2.586 101 H HA 0.496 5.052 4.556 -0.000 0.000 0.273 101 H C 1.172 176.486 175.328 -0.023 0.000 0.997 101 H CA 0.498 56.611 56.048 0.109 0.000 1.177 101 H CB 0.562 30.401 29.762 0.128 0.000 1.471 101 H HN 0.598 nan 8.280 nan 0.000 0.538 102 G N 0.281 109.087 108.800 0.010 0.000 2.613 102 G HA2 0.274 4.234 3.960 -0.000 0.000 0.303 102 G HA3 0.274 4.234 3.960 -0.000 0.000 0.303 102 G C -0.255 174.568 174.900 -0.128 0.000 1.312 102 G CA -0.641 44.426 45.100 -0.054 0.000 1.036 102 G HN 0.116 nan 8.290 nan 0.000 0.513 103 E N -0.406 119.708 120.200 -0.143 0.000 2.392 103 E HA 0.397 4.747 4.350 -0.000 0.000 0.264 103 E C 0.439 176.887 176.600 -0.253 0.000 1.024 103 E CA -0.164 56.106 56.400 -0.217 0.000 0.903 103 E CB 1.131 30.737 29.700 -0.156 0.000 0.963 103 E HN 0.530 nan 8.360 nan 0.000 0.432 104 A N 2.806 125.359 122.820 -0.445 0.000 2.287 104 A HA 0.193 4.513 4.320 -0.000 0.000 0.273 104 A C -0.031 177.454 177.584 -0.165 0.000 1.091 104 A CA -0.321 51.488 52.037 -0.380 0.000 0.817 104 A CB 0.674 19.304 19.000 -0.616 0.000 1.069 104 A HN 0.714 nan 8.150 nan 0.000 0.492 105 E N 0.567 120.821 120.200 0.089 0.000 2.183 105 E HA 0.499 4.849 4.350 -0.000 0.000 0.271 105 E C -1.259 175.537 176.600 0.326 0.000 0.919 105 E CA -0.693 55.846 56.400 0.231 0.000 0.781 105 E CB 1.497 31.360 29.700 0.272 0.000 1.140 105 E HN 0.401 nan 8.360 nan 0.000 0.402 106 V N 4.240 124.340 119.914 0.311 0.000 2.521 106 V HA 0.101 4.221 4.120 -0.000 0.000 0.286 106 V C -0.042 176.074 176.094 0.037 0.000 1.034 106 V CA -0.154 62.246 62.300 0.167 0.000 1.045 106 V CB 0.978 32.837 31.823 0.060 0.000 0.974 106 V HN 0.440 nan 8.190 nan 0.000 0.480 107 V N 4.050 123.926 119.914 -0.064 0.000 2.555 107 V HA 0.419 4.538 4.120 -0.000 0.000 0.302 107 V C -0.393 175.464 176.094 -0.395 0.000 1.038 107 V CA -0.640 61.500 62.300 -0.267 0.000 0.887 107 V CB 2.058 33.641 31.823 -0.400 0.000 0.991 107 V HN 0.899 nan 8.190 nan 0.000 0.434 108 D N 2.832 123.014 120.400 -0.364 0.000 2.392 108 D HA 0.362 5.002 4.640 -0.000 0.000 0.228 108 D C 0.314 176.423 176.300 -0.319 0.000 1.074 108 D CA -0.445 53.393 54.000 -0.270 0.000 0.838 108 D CB 1.188 41.914 40.800 -0.122 0.000 1.067 108 D HN 0.313 nan 8.370 nan 0.000 0.511 109 F N 1.643 121.592 119.950 -0.002 0.000 2.604 109 F HA 0.164 4.691 4.527 -0.000 0.000 0.298 109 F C 2.431 178.274 175.800 0.072 0.000 1.131 109 F CA 0.428 58.427 58.000 -0.001 0.000 1.457 109 F CB 0.069 39.061 39.000 -0.014 0.000 1.095 109 F HN 0.525 nan 8.300 nan 0.000 0.574 110 G N -1.108 107.797 108.800 0.174 0.000 2.712 110 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.212 110 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.212 110 G C 1.657 176.624 174.900 0.112 0.000 1.142 110 G CA 0.886 46.081 45.100 0.158 0.000 0.789 110 G HN 0.258 nan 8.290 nan 0.000 0.535 111 T N 0.766 115.357 114.554 0.061 0.000 2.737 111 T HA -0.014 4.335 4.350 -0.000 0.000 0.265 111 T C 0.869 175.568 174.700 -0.001 0.000 1.038 111 T CA 0.107 62.216 62.100 0.014 0.000 1.144 111 T CB -0.213 68.643 68.868 -0.021 0.000 0.866 111 T HN 0.154 nan 8.240 nan 0.000 0.434 112 F N 3.240 123.099 119.950 -0.151 0.000 2.607 112 F HA 0.069 4.596 4.527 -0.000 0.000 0.374 112 F C 0.601 176.209 175.800 -0.320 0.000 1.104 112 F CA -0.726 57.077 58.000 -0.327 0.000 1.296 112 F CB 0.378 39.030 39.000 -0.579 0.000 1.085 112 F HN -0.023 nan 8.300 nan 0.000 0.584 113 D N 7.206 126.950 120.400 -1.093 0.000 2.522 113 D HA 0.038 4.678 4.640 -0.000 0.000 0.218 113 D C -0.754 175.162 176.300 -0.639 0.000 1.149 113 D CA -0.251 53.358 54.000 -0.651 0.000 0.981 113 D CB -0.209 40.300 40.800 -0.486 0.000 1.041 113 D HN 0.407 nan 8.370 nan 0.000 0.518 114 W N 1.162 122.397 121.300 -0.108 0.000 2.158 114 W HA 0.067 4.727 4.660 -0.000 0.000 0.339 114 W C 1.867 178.414 176.519 0.047 0.000 1.294 114 W CA -0.230 57.172 57.345 0.096 0.000 1.231 114 W CB 0.869 30.449 29.460 0.201 0.000 1.143 114 W HN 0.282 nan 8.180 nan 0.000 0.571 115 T N -2.553 112.209 114.554 0.345 0.000 3.145 115 T HA -0.007 4.343 4.350 -0.000 0.000 0.281 115 T C 0.246 175.088 174.700 0.237 0.000 1.003 115 T CA -0.203 62.024 62.100 0.212 0.000 0.901 115 T CB -0.220 68.713 68.868 0.109 0.000 1.112 115 T HN 0.432 nan 8.240 nan 0.000 0.535 116 D N 0.878 121.483 120.400 0.341 0.000 2.587 116 D HA 0.395 5.035 4.640 -0.000 0.000 0.233 116 D C 1.470 177.885 176.300 0.191 0.000 1.213 116 D CA -0.237 53.942 54.000 0.297 0.000 0.827 116 D CB 0.156 41.225 40.800 0.448 0.000 1.006 116 D HN 0.370 nan 8.370 nan 0.000 0.490 117 A N 0.559 123.466 122.820 0.144 0.000 2.070 117 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 117 A C 1.474 179.030 177.584 -0.046 0.000 1.159 117 A CA 1.019 53.096 52.037 0.066 0.000 0.656 117 A CB -0.144 18.910 19.000 0.090 0.000 0.800 117 A HN 0.098 nan 8.150 nan 0.000 0.453 118 D N -1.803 118.570 120.400 -0.046 0.000 2.328 118 D HA 0.024 4.664 4.640 -0.000 0.000 0.221 118 D C 0.047 176.112 176.300 -0.392 0.000 1.072 118 D CA -0.107 53.801 54.000 -0.152 0.000 0.850 118 D CB -0.073 40.736 40.800 0.014 0.000 0.922 118 D HN 0.701 nan 8.370 nan 0.000 0.516 119 W N 1.288 122.251 121.300 -0.561 0.000 2.390 119 W HA 0.153 4.812 4.660 -0.000 0.000 0.312 119 W C -0.422 175.624 176.519 -0.788 0.000 1.123 119 W CA -0.184 56.825 57.345 -0.560 0.000 1.202 119 W CB 0.750 29.950 29.460 -0.434 0.000 1.251 119 W HN 0.016 nan 8.180 nan 0.000 0.511 120 H N 4.264 122.724 119.070 -1.017 0.000 2.549 120 H HA 0.248 4.804 4.556 -0.000 0.000 0.253 120 H C 1.082 175.825 175.328 -0.976 0.000 1.170 120 H CA 0.406 55.981 56.048 -0.790 0.000 0.943 120 H CB 0.276 29.759 29.762 -0.465 0.000 1.849 120 H HN 0.721 nan 8.280 nan 0.000 0.603 121 G N 1.191 109.065 108.800 -1.544 0.000 2.725 121 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 121 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 121 G C -0.734 173.749 174.900 -0.696 0.000 1.357 121 G CA -0.237 44.387 45.100 -0.794 0.000 0.866 121 G HN 0.368 nan 8.290 nan 0.000 0.548 122 I N -0.557 119.926 120.570 -0.144 0.000 2.656 122 I HA 0.580 4.750 4.170 -0.000 0.000 0.292 122 I C -0.071 176.081 176.117 0.058 0.000 1.144 122 I CA -1.095 60.203 61.300 -0.003 0.000 1.038 122 I CB 1.599 39.762 38.000 0.271 0.000 1.244 122 I HN 0.653 nan 8.210 nan 0.000 0.420 123 K N 5.240 125.642 120.400 0.002 0.000 2.144 123 K HA 0.207 4.526 4.320 -0.000 0.000 0.270 123 K C 0.561 177.185 176.600 0.040 0.000 1.005 123 K CA -0.601 55.697 56.287 0.020 0.000 0.932 123 K CB 1.541 34.023 32.500 -0.030 0.000 1.021 123 K HN 0.487 nan 8.250 nan 0.000 0.462 124 L N 3.235 124.500 121.223 0.071 0.000 2.042 124 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 124 L C 1.962 178.813 176.870 -0.031 0.000 1.076 124 L CA 2.041 56.917 54.840 0.059 0.000 0.749 124 L CB -0.711 41.413 42.059 0.110 0.000 0.893 124 L HN 0.874 nan 8.230 nan 0.000 0.432 125 A N -1.509 121.292 122.820 -0.032 0.000 2.125 125 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 125 A C 1.619 179.151 177.584 -0.086 0.000 1.156 125 A CA 1.709 53.711 52.037 -0.059 0.000 0.671 125 A CB -0.550 18.418 19.000 -0.052 0.000 0.794 125 A HN 0.561 nan 8.150 nan 0.000 0.459 126 D N -1.336 119.011 120.400 -0.089 0.000 2.369 126 D HA 0.150 4.790 4.640 -0.000 0.000 0.211 126 D C -0.313 175.905 176.300 -0.137 0.000 1.077 126 D CA 0.034 53.976 54.000 -0.097 0.000 0.842 126 D CB -0.056 40.703 40.800 -0.069 0.000 0.947 126 D HN 0.286 nan 8.370 nan 0.000 0.509 127 C N 1.240 120.399 119.300 -0.235 0.000 2.435 127 C HA 0.426 4.886 4.460 -0.000 0.000 0.375 127 C C 0.578 175.291 174.990 -0.461 0.000 1.281 127 C CA -0.620 58.108 59.018 -0.483 0.000 1.963 127 C CB 0.858 28.016 27.740 -0.971 0.000 2.490 127 C HN -0.040 nan 8.230 nan 0.000 0.557 128 V N 5.059 124.740 119.914 -0.389 0.000 2.349 128 V HA 0.345 4.464 4.120 -0.000 0.000 0.284 128 V C -0.386 175.573 176.094 -0.226 0.000 1.014 128 V CA -0.274 61.883 62.300 -0.238 0.000 0.826 128 V CB 0.446 32.221 31.823 -0.080 0.000 1.009 128 V HN 0.655 nan 8.190 nan 0.000 0.431 129 F N 3.820 123.755 119.950 -0.024 0.000 2.389 129 F HA 0.457 4.984 4.527 0.000 0.000 0.337 129 F C -0.149 175.701 175.800 0.083 0.000 1.112 129 F CA -0.478 57.513 58.000 -0.014 0.000 1.192 129 F CB 0.739 39.683 39.000 -0.094 0.000 1.185 129 F HN 0.471 nan 8.300 nan 0.000 0.552 130 Y N 2.337 122.746 120.300 0.182 0.000 2.363 130 Y HA 0.263 4.813 4.550 -0.000 0.000 0.325 130 Y C -0.390 175.525 175.900 0.024 0.000 0.984 130 Y CA -0.835 57.310 58.100 0.076 0.000 1.248 130 Y CB 0.812 39.305 38.460 0.054 0.000 1.116 130 Y HN 0.652 nan 8.280 nan 0.000 0.470 131 E N 5.648 125.728 120.200 -0.201 0.000 2.223 131 E HA 0.487 4.837 4.350 -0.000 0.000 0.282 131 E C -1.273 175.081 176.600 -0.409 0.000 1.046 131 E CA -0.593 55.724 56.400 -0.137 0.000 0.857 131 E CB 0.822 30.567 29.700 0.075 0.000 1.055 131 E HN 0.504 nan 8.360 nan 0.000 0.409 132 V N 2.498 122.257 119.914 -0.259 0.000 2.656 132 V HA 0.377 4.497 4.120 -0.000 0.000 0.307 132 V C -0.717 175.270 176.094 -0.180 0.000 1.051 132 V CA -0.922 61.155 62.300 -0.371 0.000 0.893 132 V CB 1.688 33.156 31.823 -0.591 0.000 0.999 132 V HN 0.763 nan 8.190 nan 0.000 0.426 133 H N 3.729 122.699 119.070 -0.167 0.000 2.597 133 H HA 0.435 4.991 4.556 -0.000 0.000 0.303 133 H C 0.393 175.782 175.328 0.103 0.000 1.057 133 H CA -0.106 55.967 56.048 0.042 0.000 1.261 133 H CB 2.106 32.006 29.762 0.230 0.000 1.397 133 H HN 0.651 nan 8.280 nan 0.000 0.461 134 V N 4.663 124.241 119.914 -0.561 0.000 2.407 134 V HA -0.216 3.903 4.120 -0.000 0.000 0.248 134 V C 2.545 178.448 176.094 -0.318 0.000 1.055 134 V CA 2.149 64.149 62.300 -0.500 0.000 1.049 134 V CB -0.650 30.605 31.823 -0.946 0.000 0.662 134 V HN 0.920 nan 8.190 nan 0.000 0.455 135 G N 0.056 108.663 108.800 -0.321 0.000 2.422 135 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 135 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 135 G C 1.623 176.869 174.900 0.576 0.000 1.140 135 G CA 1.585 46.962 45.100 0.460 0.000 0.775 135 G HN 0.604 nan 8.290 nan 0.000 0.545 136 T N -3.084 111.886 114.554 0.692 0.000 3.001 136 T HA 0.173 4.523 4.350 -0.000 0.000 0.251 136 T C 1.860 176.810 174.700 0.416 0.000 1.040 136 T CA -0.027 62.356 62.100 0.472 0.000 0.985 136 T CB -0.133 69.105 68.868 0.617 0.000 1.011 136 T HN 0.043 nan 8.240 nan 0.000 0.509 137 F N 4.409 124.521 119.950 0.270 0.000 2.216 137 F HA 0.128 4.655 4.527 -0.000 0.000 0.300 137 F C 0.919 177.009 175.800 0.484 0.000 1.085 137 F CA 1.099 59.281 58.000 0.304 0.000 1.326 137 F CB -0.393 38.738 39.000 0.218 0.000 1.027 137 F HN 0.356 nan 8.300 nan 0.000 0.497 138 T N -4.144 110.577 114.554 0.277 0.000 2.883 138 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 138 T C -2.060 172.715 174.700 0.126 0.000 1.117 138 T CA -1.763 60.418 62.100 0.135 0.000 1.006 138 T CB 1.627 70.463 68.868 -0.052 0.000 1.191 138 T HN -0.320 nan 8.240 nan 0.000 0.508 139 P HA -0.061 nan 4.420 nan 0.000 0.215 139 P C 1.038 178.369 177.300 0.051 0.000 1.153 139 P CA 1.272 64.400 63.100 0.048 0.000 0.853 139 P CB 0.086 31.803 31.700 0.029 0.000 0.788 140 E N -0.810 119.415 120.200 0.041 0.000 2.150 140 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 140 E C 1.453 178.118 176.600 0.108 0.000 0.985 140 E CA 1.133 57.567 56.400 0.057 0.000 0.814 140 E CB -0.993 28.724 29.700 0.027 0.000 0.752 140 E HN 0.250 nan 8.360 nan 0.000 0.466 141 G N 1.135 110.008 108.800 0.122 0.000 2.198 141 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 141 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 141 G C 0.206 175.157 174.900 0.084 0.000 1.042 141 G CA 0.610 45.815 45.100 0.174 0.000 0.791 141 G HN 0.437 nan 8.290 nan 0.000 0.502 142 T N -3.971 110.589 114.554 0.009 0.000 2.916 142 T HA 0.649 4.999 4.350 -0.000 0.000 0.292 142 T C 0.957 175.614 174.700 -0.071 0.000 1.064 142 T CA -0.332 61.716 62.100 -0.087 0.000 1.011 142 T CB 1.431 70.293 68.868 -0.009 0.000 1.152 142 T HN 0.156 nan 8.240 nan 0.000 0.510 143 Y N 0.217 120.558 120.300 0.068 0.000 2.165 143 Y HA -0.108 4.442 4.550 -0.000 0.000 0.286 143 Y C 3.023 178.947 175.900 0.039 0.000 1.155 143 Y CA 0.487 58.614 58.100 0.044 0.000 1.164 143 Y CB -0.187 38.304 38.460 0.053 0.000 0.978 143 Y HN 0.382 nan 8.280 nan 0.000 0.513 144 R N 0.340 120.947 120.500 0.178 0.000 2.081 144 R HA -0.131 4.208 4.340 -0.000 0.000 0.235 144 R C 2.450 178.783 176.300 0.056 0.000 1.131 144 R CA 1.227 57.387 56.100 0.101 0.000 0.960 144 R CB -1.042 29.301 30.300 0.072 0.000 0.856 144 R HN 0.399 nan 8.270 nan 0.000 0.436 145 A N 1.005 123.850 122.820 0.042 0.000 1.930 145 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 145 A C 2.376 179.963 177.584 0.005 0.000 1.175 145 A CA 1.552 53.583 52.037 -0.011 0.000 0.627 145 A CB -0.468 18.517 19.000 -0.026 0.000 0.815 145 A HN 0.334 nan 8.150 nan 0.000 0.443 146 A N 0.067 122.968 122.820 0.135 0.000 1.908 146 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 146 A C 2.471 180.179 177.584 0.206 0.000 1.181 146 A CA 2.061 54.283 52.037 0.309 0.000 0.627 146 A CB -0.981 18.232 19.000 0.355 0.000 0.818 146 A HN 1.077 nan 8.150 nan 0.000 0.445 147 A N -0.392 122.496 122.820 0.114 0.000 1.972 147 A HA -0.136 4.183 4.320 -0.000 0.000 0.219 147 A C 1.790 179.389 177.584 0.025 0.000 1.169 147 A CA 1.623 53.697 52.037 0.062 0.000 0.635 147 A CB -0.365 18.658 19.000 0.039 0.000 0.810 147 A HN 0.463 nan 8.150 nan 0.000 0.446 148 E N 0.125 120.316 120.200 -0.014 0.000 2.418 148 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 148 E C 1.058 177.597 176.600 -0.103 0.000 1.026 148 E CA 0.606 56.964 56.400 -0.069 0.000 0.862 148 E CB -0.082 29.549 29.700 -0.114 0.000 0.799 148 E HN 0.471 nan 8.360 nan 0.000 0.518 149 K N 0.374 120.726 120.400 -0.082 0.000 2.404 149 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 149 K C 2.038 178.721 176.600 0.139 0.000 1.023 149 K CA -0.055 56.195 56.287 -0.061 0.000 1.094 149 K CB 0.167 32.574 32.500 -0.156 0.000 0.841 149 K HN 0.174 nan 8.250 nan 0.000 0.523 150 L N 1.066 122.347 121.223 0.096 0.000 2.046 150 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 150 L C -0.683 176.217 176.870 0.051 0.000 1.077 150 L CA 1.499 56.383 54.840 0.072 0.000 0.747 150 L CB -1.548 40.527 42.059 0.028 0.000 0.896 150 L HN 0.053 nan 8.230 nan 0.000 0.432 151 P HA -0.233 nan 4.420 nan 0.000 0.216 151 P C 1.404 178.736 177.300 0.054 0.000 1.150 151 P CA 1.282 64.403 63.100 0.035 0.000 0.837 151 P CB -0.091 31.627 31.700 0.029 0.000 0.786 152 Y N 0.593 120.888 120.300 -0.007 0.000 2.165 152 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 152 Y C 1.948 177.865 175.900 0.029 0.000 1.155 152 Y CA 1.537 59.652 58.100 0.025 0.000 1.164 152 Y CB -1.119 37.368 38.460 0.045 0.000 0.978 152 Y HN -0.201 nan 8.280 nan 0.000 0.513 153 L N 0.142 121.292 121.223 -0.122 0.000 2.093 153 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 153 L C 2.499 179.241 176.870 -0.214 0.000 1.085 153 L CA 1.701 56.373 54.840 -0.280 0.000 0.755 153 L CB -0.600 41.361 42.059 -0.164 0.000 0.904 153 L HN 0.140 nan 8.230 nan 0.000 0.435 154 K N 0.861 121.195 120.400 -0.110 0.000 2.026 154 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 154 K C 1.999 178.550 176.600 -0.081 0.000 1.048 154 K CA 1.675 57.921 56.287 -0.067 0.000 0.929 154 K CB -0.152 32.332 32.500 -0.028 0.000 0.713 154 K HN 0.076 nan 8.250 nan 0.000 0.439 155 E N 0.355 120.496 120.200 -0.099 0.000 2.077 155 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 155 E C 1.872 178.402 176.600 -0.117 0.000 0.989 155 E CA 1.339 57.688 56.400 -0.084 0.000 0.800 155 E CB -0.587 29.077 29.700 -0.060 0.000 0.746 155 E HN 0.294 nan 8.360 nan 0.000 0.452 156 L N -0.448 120.629 121.223 -0.244 0.000 2.021 156 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 156 L C 1.741 178.566 176.870 -0.076 0.000 1.074 156 L CA 2.698 57.407 54.840 -0.218 0.000 0.760 156 L CB -0.572 41.243 42.059 -0.407 0.000 0.889 156 L HN 0.413 nan 8.230 nan 0.000 0.433 157 G N -2.074 106.680 108.800 -0.077 0.000 2.183 157 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.168 157 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.168 157 G C 0.261 175.154 174.900 -0.012 0.000 1.008 157 G CA 0.159 45.244 45.100 -0.026 0.000 0.677 157 G HN 0.880 nan 8.290 nan 0.000 0.498 158 V N -0.725 119.175 119.914 -0.024 0.000 3.133 158 V HA 0.824 4.944 4.120 -0.000 0.000 0.305 158 V C 1.235 177.325 176.094 -0.007 0.000 1.084 158 V CA 1.269 63.572 62.300 0.004 0.000 1.089 158 V CB 1.371 33.222 31.823 0.047 0.000 1.073 158 V HN 0.992 nan 8.190 nan 0.000 0.477 159 T N -1.836 112.713 114.554 -0.007 0.000 2.975 159 T HA 0.661 5.011 4.350 -0.000 0.000 0.261 159 T C 0.342 175.084 174.700 0.069 0.000 0.984 159 T CA 0.447 62.558 62.100 0.019 0.000 0.911 159 T CB 0.267 69.133 68.868 -0.003 0.000 1.127 159 T HN 1.791 nan 8.240 nan 0.000 0.514 160 A N 0.876 123.727 122.820 0.051 0.000 2.459 160 A HA 0.746 5.066 4.320 -0.000 0.000 0.296 160 A C -1.334 176.420 177.584 0.284 0.000 1.039 160 A CA -0.781 51.370 52.037 0.190 0.000 0.698 160 A CB 1.197 20.234 19.000 0.061 0.000 1.261 160 A HN 0.496 nan 8.150 nan 0.000 0.405 161 I N 1.568 122.339 120.570 0.334 0.000 2.331 161 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 161 I C -0.181 176.153 176.117 0.362 0.000 0.998 161 I CA -0.492 60.987 61.300 0.299 0.000 1.267 161 I CB 1.430 39.529 38.000 0.164 0.000 1.386 161 I HN 0.736 nan 8.210 nan 0.000 0.476 162 Q N 7.082 127.051 119.800 0.282 0.000 2.398 162 Q HA 0.360 4.700 4.340 -0.000 0.000 0.251 162 Q C -1.661 174.401 176.000 0.103 0.000 0.999 162 Q CA -0.452 55.473 55.803 0.202 0.000 0.874 162 Q CB 1.211 30.008 28.738 0.098 0.000 1.215 162 Q HN 0.489 nan 8.270 nan 0.000 0.470 163 V N 5.848 125.810 119.914 0.080 0.000 2.432 163 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 163 V C 0.676 176.717 176.094 -0.090 0.000 1.043 163 V CA -0.471 61.826 62.300 -0.006 0.000 0.925 163 V CB 0.967 32.817 31.823 0.044 0.000 0.985 163 V HN 0.891 nan 8.190 nan 0.000 0.466 164 M N 5.961 125.511 119.600 -0.083 0.000 2.207 164 M HA 0.226 4.706 4.480 -0.000 0.000 0.311 164 M C -2.191 173.986 176.300 -0.205 0.000 1.127 164 M CA -1.105 54.109 55.300 -0.144 0.000 1.181 164 M CB 0.122 32.695 32.600 -0.045 0.000 1.409 164 M HN 0.353 nan 8.290 nan 0.000 0.461 165 P HA 0.009 nan 4.420 nan 0.000 0.266 165 P C -0.249 176.985 177.300 -0.109 0.000 1.195 165 P CA 0.442 63.319 63.100 -0.372 0.000 0.768 165 P CB 0.382 31.749 31.700 -0.554 0.000 0.838 166 L N 0.880 122.036 121.223 -0.112 0.000 2.731 166 L HA 0.276 4.615 4.340 -0.000 0.000 0.240 166 L C 1.079 178.105 176.870 0.261 0.000 1.120 166 L CA -0.145 54.788 54.840 0.155 0.000 0.913 166 L CB -0.120 41.993 42.059 0.090 0.000 1.213 166 L HN 0.337 nan 8.230 nan 0.000 0.515 167 A N 1.349 124.294 122.820 0.209 0.000 2.498 167 A HA 0.474 4.794 4.320 -0.000 0.000 0.239 167 A C 0.741 178.525 177.584 0.333 0.000 1.068 167 A CA 0.127 52.375 52.037 0.351 0.000 0.766 167 A CB 0.136 19.319 19.000 0.306 0.000 1.003 167 A HN 0.263 nan 8.150 nan 0.000 0.497 168 A N 1.907 124.916 122.820 0.316 0.000 2.511 168 A HA 0.524 4.844 4.320 -0.000 0.000 0.242 168 A C -0.009 177.710 177.584 0.225 0.000 1.069 168 A CA 0.287 52.439 52.037 0.190 0.000 0.763 168 A CB -0.586 18.499 19.000 0.142 0.000 1.001 168 A HN 1.504 nan 8.150 nan 0.000 0.498 169 F N -0.175 119.830 119.950 0.091 0.000 2.640 169 F HA 0.724 5.251 4.527 -0.000 0.000 0.324 169 F C -0.442 175.405 175.800 0.077 0.000 1.077 169 F CA -1.716 56.311 58.000 0.045 0.000 0.965 169 F CB 0.805 39.763 39.000 -0.069 0.000 1.351 169 F HN 0.402 nan 8.300 nan 0.000 0.487 170 D N 0.067 120.654 120.400 0.312 0.000 2.304 170 D HA 0.517 5.157 4.640 -0.000 0.000 0.247 170 D C 0.371 176.746 176.300 0.126 0.000 1.089 170 D CA 1.430 55.538 54.000 0.180 0.000 0.910 170 D CB 1.421 42.389 40.800 0.279 0.000 1.199 170 D HN 1.136 nan 8.370 nan 0.000 0.426 171 G N 2.255 111.101 108.800 0.078 0.000 2.710 171 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.668 171 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.668 171 G C 0.181 175.133 174.900 0.087 0.000 1.320 171 G CA -0.402 44.726 45.100 0.047 0.000 0.860 171 G HN 0.440 nan 8.290 nan 0.000 0.538 172 Q N 0.040 119.867 119.800 0.045 0.000 2.319 172 Q HA 0.129 4.469 4.340 -0.000 0.000 0.202 172 Q C 1.405 177.424 176.000 0.031 0.000 0.896 172 Q CA 1.161 56.973 55.803 0.014 0.000 0.942 172 Q CB 0.488 29.203 28.738 -0.038 0.000 1.083 172 Q HN 0.824 nan 8.270 nan 0.000 0.510 173 R N -1.766 118.768 120.500 0.058 0.000 2.716 173 R HA 0.779 5.119 4.340 -0.000 0.000 0.271 173 R C -0.651 175.836 176.300 0.312 0.000 1.028 173 R CA -0.462 55.657 56.100 0.031 0.000 0.883 173 R CB 0.863 30.583 30.300 -0.967 0.000 1.250 173 R HN -0.032 nan 8.270 nan 0.000 0.465 174 G N -0.600 108.485 108.800 0.475 0.000 2.355 174 G HA2 0.307 4.267 3.960 -0.000 0.000 0.296 174 G HA3 0.307 4.267 3.960 -0.000 0.000 0.296 174 G C -1.066 173.925 174.900 0.150 0.000 1.507 174 G CA -0.730 44.363 45.100 -0.011 0.000 0.823 174 G HN 0.432 nan 8.290 nan 0.000 0.569 175 W N 0.067 121.081 121.300 -0.478 0.000 2.388 175 W HA 0.294 4.954 4.660 0.000 0.000 0.294 175 W C 2.109 178.471 176.519 -0.262 0.000 1.212 175 W CA 2.086 59.300 57.345 -0.220 0.000 1.271 175 W CB -0.204 29.214 29.460 -0.070 0.000 1.126 175 W HN 1.783 nan 8.180 nan 0.000 0.535 176 G N -3.098 105.417 108.800 -0.475 0.000 2.296 176 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.188 176 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.188 176 G C 0.559 175.047 174.900 -0.686 0.000 1.000 176 G CA -0.019 44.686 45.100 -0.659 0.000 0.672 176 G HN 0.235 nan 8.290 nan 0.000 0.483 177 Y N 1.746 121.944 120.300 -0.171 0.000 2.529 177 Y HA 0.250 4.800 4.550 -0.000 0.000 0.290 177 Y C 1.568 177.448 175.900 -0.033 0.000 1.177 177 Y CA 0.665 58.698 58.100 -0.112 0.000 1.305 177 Y CB 0.301 38.720 38.460 -0.069 0.000 1.047 177 Y HN 0.145 nan 8.280 nan 0.000 0.522 178 D N -0.307 120.066 120.400 -0.045 0.000 2.342 178 D HA 0.099 4.739 4.640 -0.000 0.000 0.221 178 D C 1.141 177.550 176.300 0.182 0.000 1.101 178 D CA 0.108 54.177 54.000 0.114 0.000 0.837 178 D CB -0.075 40.831 40.800 0.177 0.000 0.938 178 D HN 0.235 nan 8.370 nan 0.000 0.508 179 G N 0.467 109.334 108.800 0.112 0.000 2.287 179 G HA2 0.224 4.184 3.960 -0.000 0.000 0.235 179 G HA3 0.224 4.184 3.960 -0.000 0.000 0.235 179 G C 0.787 175.954 174.900 0.446 0.000 1.258 179 G CA 0.304 45.581 45.100 0.296 0.000 0.884 179 G HN 0.201 nan 8.290 nan 0.000 0.518 180 A N 1.966 125.081 122.820 0.492 0.000 2.140 180 A HA 0.702 5.022 4.320 -0.000 0.000 0.199 180 A C 1.370 179.241 177.584 0.479 0.000 1.416 180 A CA 1.034 53.366 52.037 0.492 0.000 1.018 180 A CB 0.426 19.611 19.000 0.307 0.000 1.117 180 A HN 1.689 nan 8.150 nan 0.000 0.480 181 A N -0.051 123.054 122.820 0.475 0.000 2.508 181 A HA 0.620 4.940 4.320 -0.000 0.000 0.336 181 A C 0.115 178.067 177.584 0.614 0.000 1.360 181 A CA -0.545 51.761 52.037 0.449 0.000 0.841 181 A CB -0.345 18.840 19.000 0.308 0.000 1.136 181 A HN 0.189 nan 8.150 nan 0.000 0.489 182 F N 0.377 120.616 119.950 0.482 0.000 2.365 182 F HA -0.062 4.464 4.527 -0.000 0.000 0.300 182 F C 1.181 177.090 175.800 0.181 0.000 1.090 182 F CA 1.162 59.355 58.000 0.323 0.000 1.408 182 F CB -0.724 38.443 39.000 0.278 0.000 1.060 182 F HN 0.774 nan 8.300 nan 0.000 0.534 183 Y N -0.657 119.796 120.300 0.254 0.000 2.466 183 Y HA 0.412 4.962 4.550 -0.000 0.000 0.272 183 Y C 1.120 177.069 175.900 0.081 0.000 1.169 183 Y CA 0.040 58.138 58.100 -0.004 0.000 1.285 183 Y CB -0.061 38.396 38.460 -0.005 0.000 1.078 183 Y HN -0.110 nan 8.280 nan 0.000 0.523 184 A N 1.467 124.520 122.820 0.388 0.000 2.277 184 A HA 0.495 4.815 4.320 -0.000 0.000 0.318 184 A C -2.746 175.109 177.584 0.452 0.000 1.339 184 A CA -1.904 50.370 52.037 0.395 0.000 0.875 184 A CB 0.150 19.326 19.000 0.294 0.000 1.158 184 A HN -0.116 nan 8.150 nan 0.000 0.514 185 P HA 0.009 nan 4.420 nan 0.000 0.268 185 P C -0.573 177.037 177.300 0.516 0.000 1.204 185 P CA 0.188 63.650 63.100 0.603 0.000 0.768 185 P CB 0.137 32.194 31.700 0.595 0.000 0.842 186 Y N 3.561 123.979 120.300 0.197 0.000 2.745 186 Y HA 0.115 4.665 4.550 -0.000 0.000 0.335 186 Y C 1.509 177.334 175.900 -0.126 0.000 1.212 186 Y CA -0.148 57.851 58.100 -0.167 0.000 1.535 186 Y CB 0.041 38.186 38.460 -0.525 0.000 1.220 186 Y HN 0.556 nan 8.280 nan 0.000 0.531 187 A N 7.352 129.894 122.820 -0.464 0.000 1.972 187 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 187 A C -0.396 176.989 177.584 -0.333 0.000 1.169 187 A CA 1.303 53.186 52.037 -0.257 0.000 0.635 187 A CB -1.569 17.176 19.000 -0.425 0.000 0.810 187 A HN 0.727 nan 8.150 nan 0.000 0.446 188 P HA -0.135 nan 4.420 nan 0.000 0.222 188 P C 0.809 178.009 177.300 -0.166 0.000 1.147 188 P CA 0.962 63.778 63.100 -0.473 0.000 0.790 188 P CB -0.181 31.129 31.700 -0.651 0.000 0.780 189 Y N -1.331 118.795 120.300 -0.290 0.000 2.516 189 Y HA 0.201 4.751 4.550 -0.000 0.000 0.291 189 Y C 1.472 177.057 175.900 -0.525 0.000 1.131 189 Y CA -0.196 57.641 58.100 -0.439 0.000 1.281 189 Y CB 0.177 38.223 38.460 -0.689 0.000 1.013 189 Y HN -0.022 nan 8.280 nan 0.000 0.554 190 G N 0.147 108.950 108.800 0.005 0.000 2.359 190 G HA2 0.092 4.052 3.960 -0.000 0.000 0.314 190 G HA3 0.092 4.052 3.960 -0.000 0.000 0.314 190 G C -1.470 173.623 174.900 0.322 0.000 1.364 190 G CA -1.219 43.991 45.100 0.183 0.000 0.978 190 G HN -0.028 nan 8.290 nan 0.000 0.615 191 R N 0.664 121.253 120.500 0.148 0.000 2.583 191 R HA 0.393 4.733 4.340 -0.000 0.000 0.268 191 R C -1.478 174.736 176.300 -0.143 0.000 1.101 191 R CA -1.260 54.702 56.100 -0.231 0.000 1.180 191 R CB 0.810 30.965 30.300 -0.240 0.000 1.128 191 R HN 0.248 nan 8.270 nan 0.000 0.568 192 P HA -0.268 nan 4.420 nan 0.000 0.216 192 P C 0.799 178.087 177.300 -0.019 0.000 1.153 192 P CA 1.547 64.659 63.100 0.019 0.000 0.858 192 P CB 0.042 31.722 31.700 -0.033 0.000 0.789 193 E N -0.495 119.629 120.200 -0.126 0.000 2.204 193 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 193 E C 1.107 177.628 176.600 -0.132 0.000 0.990 193 E CA 1.206 57.514 56.400 -0.153 0.000 0.821 193 E CB -0.863 28.830 29.700 -0.011 0.000 0.750 193 E HN 0.244 nan 8.360 nan 0.000 0.477 194 D N 0.938 121.330 120.400 -0.014 0.000 2.149 194 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 194 D C 2.049 178.333 176.300 -0.027 0.000 0.972 194 D CA 0.634 54.680 54.000 0.078 0.000 0.835 194 D CB -0.091 40.858 40.800 0.248 0.000 0.966 194 D HN 0.213 nan 8.370 nan 0.000 0.476 195 L N 0.682 121.792 121.223 -0.188 0.000 2.056 195 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 195 L C 2.266 178.931 176.870 -0.341 0.000 1.078 195 L CA 1.392 55.890 54.840 -0.570 0.000 0.749 195 L CB -0.564 41.159 42.059 -0.560 0.000 0.901 195 L HN -0.085 nan 8.230 nan 0.000 0.433 196 M N -0.728 118.649 119.600 -0.371 0.000 2.108 196 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 196 M C 2.275 178.091 176.300 -0.806 0.000 1.066 196 M CA 1.958 56.761 55.300 -0.829 0.000 1.107 196 M CB -0.689 30.791 32.600 -1.866 0.000 1.356 196 M HN 0.433 nan 8.290 nan 0.000 0.406 197 A N 0.266 122.787 122.820 -0.497 0.000 1.933 197 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 197 A C 2.110 179.637 177.584 -0.095 0.000 1.175 197 A CA 1.420 53.400 52.037 -0.094 0.000 0.628 197 A CB -0.758 18.262 19.000 0.035 0.000 0.814 197 A HN 0.465 nan 8.150 nan 0.000 0.444 198 L N -0.109 121.031 121.223 -0.138 0.000 2.027 198 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 198 L C 2.324 179.077 176.870 -0.194 0.000 1.074 198 L CA 1.984 56.755 54.840 -0.116 0.000 0.745 198 L CB -0.564 41.436 42.059 -0.099 0.000 0.898 198 L HN 0.130 nan 8.230 nan 0.000 0.433 199 V N -0.073 119.669 119.914 -0.287 0.000 2.358 199 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 199 V C 2.322 178.175 176.094 -0.401 0.000 1.047 199 V CA 1.956 63.995 62.300 -0.435 0.000 1.035 199 V CB -0.812 30.732 31.823 -0.465 0.000 0.658 199 V HN 0.546 nan 8.190 nan 0.000 0.452 200 D N 0.181 120.548 120.400 -0.055 0.000 2.117 200 D HA -0.152 4.487 4.640 -0.000 0.000 0.197 200 D C 2.126 178.430 176.300 0.008 0.000 0.987 200 D CA 1.481 55.559 54.000 0.129 0.000 0.829 200 D CB -0.138 40.818 40.800 0.259 0.000 0.961 200 D HN 0.378 nan 8.370 nan 0.000 0.460 201 A N 0.404 123.200 122.820 -0.041 0.000 1.902 201 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 201 A C 2.354 179.891 177.584 -0.078 0.000 1.181 201 A CA 2.125 54.139 52.037 -0.038 0.000 0.623 201 A CB -1.074 17.910 19.000 -0.027 0.000 0.818 201 A HN 0.315 nan 8.150 nan 0.000 0.443 202 A N -0.686 122.039 122.820 -0.158 0.000 1.877 202 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 202 A C 1.947 179.391 177.584 -0.233 0.000 1.186 202 A CA 1.737 53.661 52.037 -0.188 0.000 0.620 202 A CB -1.076 17.782 19.000 -0.236 0.000 0.822 202 A HN 0.765 nan 8.150 nan 0.000 0.443 203 H N -1.495 117.327 119.070 -0.413 0.000 2.387 203 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 203 H C 2.382 177.537 175.328 -0.288 0.000 1.090 203 H CA 1.085 56.730 56.048 -0.672 0.000 1.332 203 H CB 0.023 29.433 29.762 -0.588 0.000 1.386 203 H HN 0.468 nan 8.280 nan 0.000 0.516 204 R N 1.188 121.695 120.500 0.012 0.000 2.105 204 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 204 R C 1.638 177.953 176.300 0.025 0.000 1.135 204 R CA 1.120 57.246 56.100 0.042 0.000 0.967 204 R CB -0.128 30.195 30.300 0.040 0.000 0.861 204 R HN 0.314 nan 8.270 nan 0.000 0.442 205 L N -0.145 121.070 121.223 -0.015 0.000 2.599 205 L HA 0.169 4.509 4.340 -0.000 0.000 0.230 205 L C 0.973 177.848 176.870 0.009 0.000 1.141 205 L CA 0.515 55.353 54.840 -0.003 0.000 0.877 205 L CB 0.258 42.306 42.059 -0.017 0.000 1.009 205 L HN 0.613 nan 8.230 nan 0.000 0.447 206 G N 0.722 109.518 108.800 -0.006 0.000 2.160 206 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 206 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 206 G C -0.056 174.862 174.900 0.029 0.000 1.022 206 G CA -0.152 45.016 45.100 0.114 0.000 0.741 206 G HN 0.242 nan 8.290 nan 0.000 0.508 207 L N 0.305 121.403 121.223 -0.210 0.000 2.325 207 L HA 0.727 5.067 4.340 -0.000 0.000 0.278 207 L C 1.208 177.945 176.870 -0.220 0.000 1.023 207 L CA -0.581 54.204 54.840 -0.093 0.000 0.811 207 L CB 1.730 43.759 42.059 -0.050 0.000 1.249 207 L HN 0.198 nan 8.230 nan 0.000 0.431 208 G N 1.575 110.473 108.800 0.163 0.000 2.537 208 G HA2 0.551 4.511 3.960 -0.000 0.000 0.273 208 G HA3 0.551 4.511 3.960 -0.000 0.000 0.273 208 G C -0.851 174.272 174.900 0.372 0.000 1.189 208 G CA -0.307 45.026 45.100 0.389 0.000 0.881 208 G HN 0.330 nan 8.290 nan 0.000 0.535 209 V N 0.413 120.563 119.914 0.393 0.000 2.569 209 V HA 0.512 4.632 4.120 -0.000 0.000 0.301 209 V C -1.016 175.371 176.094 0.489 0.000 1.044 209 V CA -0.598 61.922 62.300 0.367 0.000 0.874 209 V CB 1.176 33.002 31.823 0.006 0.000 1.002 209 V HN 0.620 nan 8.190 nan 0.000 0.424 210 F N 4.042 124.228 119.950 0.393 0.000 2.561 210 F HA 0.788 5.314 4.527 -0.000 0.000 0.321 210 F C -0.398 175.430 175.800 0.046 0.000 1.065 210 F CA -1.011 57.155 58.000 0.277 0.000 0.934 210 F CB 2.228 41.357 39.000 0.214 0.000 1.215 210 F HN 0.360 nan 8.300 nan 0.000 0.471 211 L N 2.371 123.490 121.223 -0.174 0.000 2.362 211 L HA 0.460 4.799 4.340 -0.000 0.000 0.275 211 L C -0.909 175.677 176.870 -0.474 0.000 0.998 211 L CA -0.454 54.021 54.840 -0.608 0.000 0.820 211 L CB 1.357 42.523 42.059 -1.490 0.000 1.270 211 L HN 0.435 nan 8.230 nan 0.000 0.415 212 D N 3.468 123.615 120.400 -0.422 0.000 2.343 212 D HA 0.395 5.035 4.640 -0.000 0.000 0.255 212 D C -0.739 175.229 176.300 -0.552 0.000 1.187 212 D CA 0.177 53.933 54.000 -0.407 0.000 0.875 212 D CB 1.066 41.686 40.800 -0.301 0.000 1.136 212 D HN 0.419 nan 8.370 nan 0.000 0.469 213 V N 1.220 120.772 119.914 -0.603 0.000 2.914 213 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 213 V C -0.479 175.127 176.094 -0.812 0.000 1.084 213 V CA -0.902 60.921 62.300 -0.796 0.000 0.963 213 V CB 2.042 33.275 31.823 -0.984 0.000 1.025 213 V HN 0.199 nan 8.190 nan 0.000 0.432 214 V N 4.621 124.007 119.914 -0.881 0.000 2.305 214 V HA 0.400 4.520 4.120 -0.000 0.000 0.275 214 V C -0.814 175.030 176.094 -0.416 0.000 1.020 214 V CA -0.105 61.847 62.300 -0.579 0.000 0.811 214 V CB 0.602 32.122 31.823 -0.505 0.000 1.031 214 V HN 0.925 nan 8.190 nan 0.000 0.439 215 Y N 2.931 123.180 120.300 -0.085 0.000 2.681 215 Y HA 0.189 4.739 4.550 -0.000 0.000 0.267 215 Y C 1.439 177.536 175.900 0.327 0.000 1.166 215 Y CA -1.267 56.932 58.100 0.165 0.000 1.209 215 Y CB -0.458 38.114 38.460 0.187 0.000 1.161 215 Y HN 0.815 nan 8.280 nan 0.000 0.534 216 N N -0.615 118.332 118.700 0.412 0.000 2.250 216 N HA 0.018 4.758 4.740 -0.000 0.000 0.190 216 N C 0.165 176.040 175.510 0.608 0.000 1.116 216 N CA 0.201 53.571 53.050 0.533 0.000 0.881 216 N CB 0.405 39.227 38.487 0.559 0.000 1.006 216 N HN 0.218 nan 8.380 nan 0.000 0.491 217 H N -2.346 116.949 119.070 0.375 0.000 3.024 217 H HA 0.315 4.871 4.556 -0.000 0.000 0.324 217 H C -1.862 173.635 175.328 0.283 0.000 1.347 217 H CA -1.036 55.246 56.048 0.391 0.000 1.182 217 H CB 0.122 30.141 29.762 0.429 0.000 1.889 217 H HN -0.122 nan 8.280 nan 0.000 0.528 218 F N 0.587 120.712 119.950 0.292 0.000 2.470 218 F HA 0.534 5.061 4.527 -0.000 0.000 0.329 218 F C 1.477 177.429 175.800 0.253 0.000 1.072 218 F CA 0.184 58.303 58.000 0.199 0.000 0.989 218 F CB 1.774 40.801 39.000 0.045 0.000 1.193 218 F HN 0.785 nan 8.300 nan 0.000 0.481 219 G N 1.510 110.538 108.800 0.380 0.000 2.667 219 G HA2 0.247 4.207 3.960 -0.000 0.000 0.250 219 G HA3 0.247 4.207 3.960 -0.000 0.000 0.250 219 G C -1.856 173.173 174.900 0.216 0.000 1.212 219 G CA -0.920 44.374 45.100 0.323 0.000 0.874 219 G HN 0.505 nan 8.290 nan 0.000 0.561 220 P HA 0.103 nan 4.420 nan 0.000 0.249 220 P C 0.211 177.497 177.300 -0.023 0.000 1.229 220 P CA 0.430 63.528 63.100 -0.002 0.000 0.788 220 P CB 0.792 32.427 31.700 -0.108 0.000 1.072 221 S N -0.993 114.747 115.700 0.067 0.000 2.575 221 S HA 0.571 5.041 4.470 -0.000 0.000 0.278 221 S C 0.548 175.207 174.600 0.097 0.000 1.139 221 S CA 0.264 58.538 58.200 0.122 0.000 0.954 221 S CB 0.850 64.206 63.200 0.259 0.000 1.054 221 S HN 0.240 nan 8.310 nan 0.000 0.483 222 G N 3.653 112.449 108.800 -0.007 0.000 2.201 222 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.212 222 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.212 222 G C -0.166 174.707 174.900 -0.046 0.000 0.994 222 G CA 0.013 45.078 45.100 -0.058 0.000 0.644 222 G HN 0.926 nan 8.290 nan 0.000 0.508 223 N N 0.078 118.671 118.700 -0.179 0.000 2.437 223 N HA 0.525 5.264 4.740 -0.000 0.000 0.243 223 N C 0.227 175.539 175.510 -0.331 0.000 1.041 223 N CA -0.668 52.267 53.050 -0.192 0.000 0.940 223 N CB 0.179 38.526 38.487 -0.233 0.000 1.133 223 N HN 0.234 nan 8.380 nan 0.000 0.506 224 Y N 2.765 123.041 120.300 -0.039 0.000 2.524 224 Y HA 0.285 4.835 4.550 0.000 0.000 0.266 224 Y C 1.506 177.473 175.900 0.112 0.000 1.180 224 Y CA -0.241 57.897 58.100 0.064 0.000 1.244 224 Y CB 0.282 38.850 38.460 0.180 0.000 1.125 224 Y HN 0.492 nan 8.280 nan 0.000 0.524 225 L N -1.120 120.101 121.223 -0.003 0.000 2.079 225 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 225 L C 2.507 179.509 176.870 0.221 0.000 1.081 225 L CA 1.693 56.474 54.840 -0.097 0.000 0.752 225 L CB -0.382 41.275 42.059 -0.670 0.000 0.896 225 L HN 0.182 nan 8.230 nan 0.000 0.433 226 S N -1.275 114.565 115.700 0.234 0.000 2.515 226 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 226 S C 2.053 176.726 174.600 0.123 0.000 0.987 226 S CA 1.021 59.358 58.200 0.229 0.000 0.936 226 S CB -0.047 63.237 63.200 0.140 0.000 0.766 226 S HN 0.384 nan 8.310 nan 0.000 0.528 227 S N 0.030 115.807 115.700 0.128 0.000 2.428 227 S HA 0.029 4.499 4.470 -0.000 0.000 0.230 227 S C 1.214 175.725 174.600 -0.148 0.000 1.014 227 S CA 0.842 59.036 58.200 -0.011 0.000 0.957 227 S CB -0.280 62.907 63.200 -0.023 0.000 0.784 227 S HN 0.718 nan 8.310 nan 0.000 0.499 228 Y N 1.153 121.449 120.300 -0.007 0.000 2.201 228 Y HA 0.389 4.939 4.550 -0.000 0.000 0.292 228 Y C 1.030 176.771 175.900 -0.263 0.000 1.119 228 Y CA 0.544 58.584 58.100 -0.101 0.000 1.127 228 Y CB 0.162 38.623 38.460 0.002 0.000 1.019 228 Y HN 0.213 nan 8.280 nan 0.000 0.514 229 A N -0.752 122.069 122.820 0.002 0.000 2.497 229 A HA 0.422 4.742 4.320 -0.000 0.000 0.280 229 A C -2.430 175.167 177.584 0.022 0.000 1.065 229 A CA -1.184 50.692 52.037 -0.270 0.000 0.781 229 A CB 0.753 19.138 19.000 -1.025 0.000 1.289 229 A HN -0.062 nan 8.150 nan 0.000 0.415 230 P HA -0.159 nan 4.420 nan 0.000 0.219 230 P C 1.450 178.826 177.300 0.127 0.000 1.146 230 P CA 2.011 65.180 63.100 0.115 0.000 0.808 230 P CB 0.212 31.944 31.700 0.054 0.000 0.779 231 S N -3.114 112.616 115.700 0.049 0.000 2.607 231 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 231 S C 1.480 176.083 174.600 0.006 0.000 0.969 231 S CA 0.149 58.382 58.200 0.055 0.000 0.927 231 S CB -1.427 61.833 63.200 0.101 0.000 0.772 231 S HN 0.103 nan 8.310 nan 0.000 0.533 232 Y N 1.207 121.438 120.300 -0.116 0.000 2.333 232 Y HA 0.165 4.715 4.550 -0.000 0.000 0.290 232 Y C 0.575 175.991 175.900 -0.807 0.000 1.144 232 Y CA 0.585 58.400 58.100 -0.476 0.000 1.228 232 Y CB -0.175 37.769 38.460 -0.860 0.000 0.985 232 Y HN 0.297 nan 8.280 nan 0.000 0.542 233 F N -1.972 118.040 119.950 0.103 0.000 2.575 233 F HA 0.546 5.073 4.527 -0.001 0.000 0.330 233 F C 0.321 176.080 175.800 -0.067 0.000 1.056 233 F CA -1.330 56.664 58.000 -0.010 0.000 0.964 233 F CB 1.560 40.540 39.000 -0.033 0.000 1.258 233 F HN -0.513 nan 8.300 nan 0.000 0.484 234 T N -0.724 113.839 114.554 0.015 0.000 2.903 234 T HA 0.290 4.640 4.350 -0.000 0.000 0.299 234 T C -0.188 174.400 174.700 -0.188 0.000 1.093 234 T CA -0.684 61.344 62.100 -0.120 0.000 1.002 234 T CB 1.145 69.879 68.868 -0.223 0.000 1.127 234 T HN 0.688 nan 8.240 nan 0.000 0.488 235 D N 2.344 122.669 120.400 -0.125 0.000 2.328 235 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 235 D C 1.582 177.807 176.300 -0.125 0.000 1.066 235 D CA -0.063 53.869 54.000 -0.114 0.000 0.861 235 D CB -0.126 40.642 40.800 -0.053 0.000 0.912 235 D HN 0.535 nan 8.370 nan 0.000 0.521 236 R N -0.319 120.068 120.500 -0.188 0.000 2.091 236 R HA -0.058 4.282 4.340 -0.000 0.000 0.238 236 R C -0.027 176.300 176.300 0.044 0.000 1.136 236 R CA 1.269 57.334 56.100 -0.058 0.000 0.959 236 R CB -0.013 30.303 30.300 0.027 0.000 0.856 236 R HN 0.322 nan 8.270 nan 0.000 0.437 237 F N -3.798 116.191 119.950 0.065 0.000 2.711 237 F HA 0.678 5.204 4.527 -0.000 0.000 0.313 237 F C -1.216 174.623 175.800 0.065 0.000 1.141 237 F CA -1.268 56.769 58.000 0.062 0.000 0.941 237 F CB 1.359 40.410 39.000 0.085 0.000 1.349 237 F HN -0.317 nan 8.300 nan 0.000 0.464 238 S N -0.230 115.660 115.700 0.317 0.000 2.570 238 S HA 0.677 5.147 4.470 -0.000 0.000 0.270 238 S C -1.159 173.529 174.600 0.146 0.000 1.149 238 S CA -0.909 57.408 58.200 0.194 0.000 0.837 238 S CB 1.745 64.966 63.200 0.034 0.000 1.124 238 S HN 0.769 nan 8.310 nan 0.000 0.465 239 S N 0.864 116.604 115.700 0.067 0.000 2.671 239 S HA 0.565 5.035 4.470 -0.000 0.000 0.272 239 S C 1.563 175.857 174.600 -0.510 0.000 1.174 239 S CA -0.120 57.941 58.200 -0.233 0.000 1.004 239 S CB 0.619 63.775 63.200 -0.073 0.000 1.077 239 S HN 0.901 nan 8.310 nan 0.000 0.553 240 A N 0.087 122.247 122.820 -1.099 0.000 2.121 240 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 240 A C 1.138 178.188 177.584 -0.891 0.000 1.154 240 A CA 0.973 52.343 52.037 -1.111 0.000 0.679 240 A CB -0.398 17.687 19.000 -1.525 0.000 0.795 240 A HN 0.864 nan 8.150 nan 0.000 0.458 241 W N -1.535 119.591 121.300 -0.290 0.000 2.998 241 W HA 0.454 5.115 4.660 0.001 0.000 0.336 241 W C 0.656 177.062 176.519 -0.189 0.000 1.112 241 W CA 0.434 57.553 57.345 -0.378 0.000 1.682 241 W CB -0.233 28.665 29.460 -0.937 0.000 1.065 241 W HN 0.415 nan 8.180 nan 0.000 0.570 242 G N 0.044 108.890 108.800 0.076 0.000 2.328 242 G HA2 0.317 4.276 3.960 -0.000 0.000 0.295 242 G HA3 0.317 4.276 3.960 -0.000 0.000 0.295 242 G C -1.207 173.748 174.900 0.092 0.000 1.413 242 G CA -1.239 43.932 45.100 0.118 0.000 0.817 242 G HN -0.157 nan 8.290 nan 0.000 0.546 243 M N 0.769 120.382 119.600 0.022 0.000 2.193 243 M HA 0.371 4.851 4.480 -0.000 0.000 0.332 243 M C 1.169 177.556 176.300 0.146 0.000 1.044 243 M CA 1.332 56.630 55.300 -0.004 0.000 0.967 243 M CB 0.228 32.710 32.600 -0.197 0.000 1.631 243 M HN 0.909 nan 8.290 nan 0.000 0.454 244 G N 4.591 113.434 108.800 0.071 0.000 2.403 244 G HA2 0.468 4.427 3.960 -0.000 0.000 0.259 244 G HA3 0.468 4.427 3.960 -0.000 0.000 0.259 244 G C -1.076 173.967 174.900 0.239 0.000 1.244 244 G CA -0.848 44.316 45.100 0.107 0.000 0.849 244 G HN 0.619 nan 8.290 nan 0.000 0.532 245 L N 2.234 123.687 121.223 0.384 0.000 2.360 245 L HA 0.173 4.513 4.340 -0.000 0.000 0.276 245 L C 0.437 177.270 176.870 -0.062 0.000 1.121 245 L CA -0.251 54.675 54.840 0.143 0.000 0.845 245 L CB 1.268 43.318 42.059 -0.016 0.000 1.143 245 L HN 0.427 nan 8.230 nan 0.000 0.452 246 D N 2.376 122.688 120.400 -0.147 0.000 2.422 246 D HA 0.033 4.673 4.640 -0.000 0.000 0.227 246 D C 0.360 176.631 176.300 -0.048 0.000 1.190 246 D CA -0.126 53.851 54.000 -0.039 0.000 0.905 246 D CB 0.324 41.102 40.800 -0.036 0.000 1.034 246 D HN 0.324 nan 8.370 nan 0.000 0.507 247 Y N 1.705 122.128 120.300 0.205 0.000 2.578 247 Y HA 0.121 4.671 4.550 -0.000 0.000 0.297 247 Y C 2.139 178.076 175.900 0.060 0.000 1.176 247 Y CA 0.262 58.429 58.100 0.112 0.000 1.315 247 Y CB -0.190 38.307 38.460 0.062 0.000 1.031 247 Y HN 0.528 nan 8.280 nan 0.000 0.524 248 A N -0.453 122.476 122.820 0.182 0.000 2.167 248 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 248 A C 0.831 178.448 177.584 0.055 0.000 1.151 248 A CA 0.374 52.474 52.037 0.105 0.000 0.735 248 A CB -0.240 18.818 19.000 0.096 0.000 0.802 248 A HN 0.179 nan 8.150 nan 0.000 0.467 249 E N 0.302 120.530 120.200 0.047 0.000 2.130 249 E HA 0.357 4.707 4.350 -0.000 0.000 0.284 249 E C -2.109 174.468 176.600 -0.038 0.000 1.018 249 E CA -2.805 53.586 56.400 -0.016 0.000 0.817 249 E CB 1.068 30.757 29.700 -0.018 0.000 1.078 249 E HN 0.031 nan 8.360 nan 0.000 0.396 250 P HA -0.189 nan 4.420 nan 0.000 0.216 250 P C 0.632 177.826 177.300 -0.177 0.000 1.150 250 P CA 1.266 64.257 63.100 -0.183 0.000 0.843 250 P CB 0.117 31.622 31.700 -0.325 0.000 0.787 251 H N -1.988 116.929 119.070 -0.254 0.000 2.421 251 H HA -0.049 4.506 4.556 -0.000 0.000 0.298 251 H C 1.925 177.392 175.328 0.232 0.000 1.087 251 H CA 1.387 57.336 56.048 -0.166 0.000 1.330 251 H CB -0.556 28.794 29.762 -0.685 0.000 1.388 251 H HN 0.142 nan 8.280 nan 0.000 0.526 252 M N 0.981 120.760 119.600 0.298 0.000 2.132 252 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 252 M C 2.263 178.827 176.300 0.440 0.000 1.065 252 M CA 1.363 56.899 55.300 0.393 0.000 1.122 252 M CB -0.002 32.683 32.600 0.141 0.000 1.365 252 M HN -0.040 nan 8.290 nan 0.000 0.411 253 R N -0.602 120.125 120.500 0.377 0.000 2.083 253 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 253 R C 2.308 178.795 176.300 0.312 0.000 1.137 253 R CA 1.926 58.246 56.100 0.367 0.000 0.951 253 R CB -0.529 29.892 30.300 0.202 0.000 0.851 253 R HN 0.421 nan 8.270 nan 0.000 0.434 254 R N -0.653 120.023 120.500 0.293 0.000 2.148 254 R HA -0.126 4.214 4.340 -0.000 0.000 0.223 254 R C 2.032 178.649 176.300 0.529 0.000 1.088 254 R CA 1.037 57.345 56.100 0.347 0.000 0.985 254 R CB -0.262 30.146 30.300 0.180 0.000 0.880 254 R HN 0.305 nan 8.270 nan 0.000 0.451 255 Y N 1.292 121.867 120.300 0.459 0.000 2.128 255 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 255 Y C 2.199 178.292 175.900 0.320 0.000 1.154 255 Y CA 1.892 60.288 58.100 0.493 0.000 1.149 255 Y CB -0.070 38.611 38.460 0.369 0.000 0.976 255 Y HN -0.078 nan 8.280 nan 0.000 0.505 256 V N -2.437 117.660 119.914 0.306 0.000 2.488 256 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 256 V C 2.140 178.088 176.094 -0.242 0.000 1.046 256 V CA 2.013 64.191 62.300 -0.202 0.000 1.053 256 V CB -1.515 30.015 31.823 -0.488 0.000 0.679 256 V HN 0.555 nan 8.190 nan 0.000 0.458 257 T N -1.484 113.086 114.554 0.027 0.000 2.904 257 T HA 0.070 4.420 4.350 -0.000 0.000 0.267 257 T C 2.027 176.725 174.700 -0.003 0.000 1.059 257 T CA 1.378 63.519 62.100 0.068 0.000 1.137 257 T CB -0.842 68.156 68.868 0.216 0.000 0.879 257 T HN 0.648 nan 8.240 nan 0.000 0.467 258 G N 1.358 110.164 108.800 0.009 0.000 2.422 258 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 258 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 258 G C 1.640 176.461 174.900 -0.132 0.000 1.140 258 G CA 0.629 45.554 45.100 -0.291 0.000 0.775 258 G HN 0.601 nan 8.290 nan 0.000 0.545 259 N N 1.120 119.637 118.700 -0.305 0.000 2.106 259 N HA -0.085 4.654 4.740 -0.000 0.000 0.188 259 N C 2.562 177.934 175.510 -0.229 0.000 1.029 259 N CA 1.220 53.846 53.050 -0.707 0.000 0.848 259 N CB -0.153 37.883 38.487 -0.751 0.000 1.007 259 N HN 0.217 nan 8.380 nan 0.000 0.423 260 A N 1.600 124.419 122.820 -0.002 0.000 1.908 260 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 260 A C 2.296 179.894 177.584 0.023 0.000 1.181 260 A CA 1.158 53.277 52.037 0.136 0.000 0.627 260 A CB -0.521 18.556 19.000 0.127 0.000 0.818 260 A HN 0.366 nan 8.150 nan 0.000 0.445 261 R N -1.342 119.110 120.500 -0.080 0.000 2.092 261 R HA -0.043 4.296 4.340 -0.000 0.000 0.231 261 R C 2.363 178.597 176.300 -0.111 0.000 1.119 261 R CA 1.440 57.471 56.100 -0.115 0.000 0.970 261 R CB -0.386 29.818 30.300 -0.159 0.000 0.864 261 R HN 0.694 nan 8.270 nan 0.000 0.440 262 M N -0.171 119.335 119.600 -0.156 0.000 2.065 262 M HA -0.221 4.259 4.480 -0.000 0.000 0.259 262 M C 1.459 177.752 176.300 -0.012 0.000 1.069 262 M CA 1.935 57.114 55.300 -0.202 0.000 1.110 262 M CB -0.215 32.207 32.600 -0.297 0.000 1.328 262 M HN 0.210 nan 8.290 nan 0.000 0.405 263 W N 0.680 122.018 121.300 0.062 0.000 2.338 263 W HA -0.211 4.449 4.660 -0.000 0.000 0.304 263 W C 2.178 178.852 176.519 0.259 0.000 1.212 263 W CA 0.694 58.147 57.345 0.180 0.000 1.264 263 W CB -0.495 28.906 29.460 -0.098 0.000 1.142 263 W HN 0.233 nan 8.180 nan 0.000 0.512 264 L N -0.364 121.019 121.223 0.268 0.000 2.044 264 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 264 L C 2.685 179.571 176.870 0.027 0.000 1.075 264 L CA 1.342 56.215 54.840 0.055 0.000 0.747 264 L CB -0.864 40.961 42.059 -0.390 0.000 0.903 264 L HN -0.028 nan 8.230 nan 0.000 0.435 265 R N 0.127 120.606 120.500 -0.034 0.000 2.055 265 R HA -0.117 4.223 4.340 -0.000 0.000 0.226 265 R C 1.751 178.079 176.300 0.047 0.000 1.135 265 R CA 1.640 57.719 56.100 -0.034 0.000 0.959 265 R CB -0.017 30.241 30.300 -0.071 0.000 0.854 265 R HN 0.292 nan 8.270 nan 0.000 0.431 266 D N -0.742 119.641 120.400 -0.029 0.000 2.249 266 D HA -0.096 4.543 4.640 -0.000 0.000 0.205 266 D C 1.021 177.278 176.300 -0.072 0.000 0.962 266 D CA 1.087 54.977 54.000 -0.184 0.000 0.860 266 D CB 0.115 40.398 40.800 -0.862 0.000 0.955 266 D HN 0.349 nan 8.370 nan 0.000 0.505 267 Y N -0.636 119.815 120.300 0.252 0.000 2.467 267 Y HA 0.169 4.719 4.550 -0.000 0.000 0.250 267 Y C 0.309 176.310 175.900 0.168 0.000 1.155 267 Y CA -0.026 58.275 58.100 0.335 0.000 1.249 267 Y CB 0.000 38.786 38.460 0.543 0.000 1.146 267 Y HN 0.087 nan 8.280 nan 0.000 0.524 268 H N -2.486 116.589 119.070 0.008 0.000 2.992 268 H HA -0.197 4.359 4.556 -0.000 0.000 0.266 268 H C -0.281 175.094 175.328 0.077 0.000 1.200 268 H CA -0.098 55.880 56.048 -0.117 0.000 1.135 268 H CB -1.934 27.483 29.762 -0.576 0.000 1.282 268 H HN 0.181 nan 8.280 nan 0.000 0.351 269 F N 1.221 121.323 119.950 0.253 0.000 2.545 269 F HA -0.051 4.476 4.527 0.000 0.000 0.348 269 F C 1.844 177.742 175.800 0.164 0.000 1.163 269 F CA 0.584 58.673 58.000 0.148 0.000 1.331 269 F CB 0.455 39.490 39.000 0.059 0.000 1.138 269 F HN 0.097 nan 8.300 nan 0.000 0.602 270 D N 0.885 121.401 120.400 0.193 0.000 2.354 270 D HA 0.205 4.845 4.640 -0.000 0.000 0.209 270 D C 0.803 176.910 176.300 -0.322 0.000 1.015 270 D CA 0.648 54.649 54.000 0.001 0.000 0.867 270 D CB 0.585 41.387 40.800 0.002 0.000 0.933 270 D HN 0.624 nan 8.370 nan 0.000 0.520 271 G N -0.042 108.455 108.800 -0.505 0.000 2.466 271 G HA2 0.482 4.442 3.960 -0.000 0.000 0.291 271 G HA3 0.482 4.442 3.960 -0.000 0.000 0.291 271 G C -1.912 172.913 174.900 -0.126 0.000 1.460 271 G CA -0.798 44.092 45.100 -0.351 0.000 0.791 271 G HN 0.005 nan 8.290 nan 0.000 0.505 272 L N 0.339 121.581 121.223 0.032 0.000 2.362 272 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 272 L C 0.116 176.977 176.870 -0.014 0.000 1.002 272 L CA -1.108 53.699 54.840 -0.055 0.000 0.818 272 L CB 2.363 44.348 42.059 -0.124 0.000 1.298 272 L HN 0.511 nan 8.230 nan 0.000 0.420 273 R N 3.484 123.898 120.500 -0.144 0.000 2.246 273 R HA 0.489 4.829 4.340 -0.000 0.000 0.332 273 R C -1.452 174.629 176.300 -0.364 0.000 0.974 273 R CA -0.572 55.369 56.100 -0.265 0.000 0.837 273 R CB 0.781 30.872 30.300 -0.350 0.000 1.145 273 R HN 0.651 nan 8.270 nan 0.000 0.467 274 L N 4.187 125.216 121.223 -0.324 0.000 2.278 274 L HA 0.196 4.536 4.340 -0.000 0.000 0.287 274 L C 0.392 177.071 176.870 -0.319 0.000 1.072 274 L CA -0.596 54.054 54.840 -0.318 0.000 0.819 274 L CB 0.828 42.780 42.059 -0.179 0.000 1.176 274 L HN 0.558 nan 8.230 nan 0.000 0.435 275 D N 3.586 123.799 120.400 -0.311 0.000 2.414 275 D HA 0.273 4.913 4.640 -0.000 0.000 0.242 275 D C 0.775 177.003 176.300 -0.119 0.000 1.129 275 D CA 0.542 54.400 54.000 -0.237 0.000 0.885 275 D CB 0.932 41.632 40.800 -0.166 0.000 1.198 275 D HN 0.764 nan 8.370 nan 0.000 0.437 276 A N 2.882 125.651 122.820 -0.085 0.000 2.511 276 A HA -0.224 4.095 4.320 -0.000 0.000 0.297 276 A C 1.546 179.180 177.584 0.084 0.000 1.476 276 A CA 1.456 53.554 52.037 0.102 0.000 0.757 276 A CB -2.401 16.792 19.000 0.322 0.000 1.072 276 A HN 0.831 nan 8.150 nan 0.000 0.413 277 T N -2.802 111.706 114.554 -0.077 0.000 2.929 277 T HA -0.040 4.310 4.350 -0.000 0.000 0.271 277 T C -0.315 174.262 174.700 -0.206 0.000 1.085 277 T CA 1.268 63.311 62.100 -0.094 0.000 1.125 277 T CB -0.991 67.800 68.868 -0.127 0.000 0.874 277 T HN 0.498 nan 8.240 nan 0.000 0.494 278 P HA -0.049 nan 4.420 nan 0.000 0.221 278 P C 0.299 177.177 177.300 -0.704 0.000 1.145 278 P CA 0.905 63.569 63.100 -0.727 0.000 0.795 278 P CB -0.289 30.690 31.700 -1.201 0.000 0.775 279 Y N -2.426 117.912 120.300 0.062 0.000 2.468 279 Y HA 0.292 4.842 4.550 -0.000 0.000 0.268 279 Y C 1.168 177.176 175.900 0.180 0.000 1.177 279 Y CA -0.109 58.067 58.100 0.126 0.000 1.265 279 Y CB -0.854 37.752 38.460 0.242 0.000 1.103 279 Y HN -0.109 nan 8.280 nan 0.000 0.522 280 M N 1.279 121.012 119.600 0.222 0.000 3.213 280 M HA 0.133 4.613 4.480 -0.000 0.000 0.275 280 M C -0.200 176.206 176.300 0.176 0.000 1.424 280 M CA 0.236 55.712 55.300 0.294 0.000 1.561 280 M CB -0.288 32.455 32.600 0.239 0.000 1.109 280 M HN 0.007 nan 8.290 nan 0.000 0.552 281 T N 1.459 116.023 114.554 0.017 0.000 2.814 281 T HA 0.250 4.599 4.350 -0.000 0.000 0.297 281 T C -0.389 174.242 174.700 -0.115 0.000 0.956 281 T CA -0.048 61.899 62.100 -0.256 0.000 1.123 281 T CB 0.524 68.781 68.868 -1.019 0.000 0.902 281 T HN 0.408 nan 8.240 nan 0.000 0.528 282 D N 1.270 121.621 120.400 -0.081 0.000 2.931 282 D HA 0.206 4.846 4.640 -0.000 0.000 0.215 282 D C -0.543 175.735 176.300 -0.038 0.000 1.297 282 D CA -0.570 53.373 54.000 -0.096 0.000 0.892 282 D CB 1.456 41.980 40.800 -0.459 0.000 1.642 282 D HN 0.283 nan 8.370 nan 0.000 0.560 283 D N 1.321 121.740 120.400 0.032 0.000 2.363 283 D HA 0.090 4.730 4.640 -0.000 0.000 0.214 283 D C 0.125 176.452 176.300 0.045 0.000 1.093 283 D CA 0.017 54.048 54.000 0.052 0.000 0.837 283 D CB 0.521 41.362 40.800 0.069 0.000 0.948 283 D HN 0.171 nan 8.370 nan 0.000 0.507 284 S N 0.845 116.558 115.700 0.022 0.000 2.576 284 S HA -0.041 4.429 4.470 -0.000 0.000 0.272 284 S C 1.552 176.171 174.600 0.032 0.000 1.352 284 S CA -0.301 57.913 58.200 0.024 0.000 1.021 284 S CB 2.085 65.289 63.200 0.006 0.000 0.887 284 S HN 0.232 nan 8.310 nan 0.000 0.542 285 E N 1.514 121.734 120.200 0.033 0.000 2.048 285 E HA -0.187 4.162 4.350 -0.000 0.000 0.202 285 E C -0.062 176.566 176.600 0.046 0.000 1.021 285 E CA 1.299 57.721 56.400 0.038 0.000 0.825 285 E CB -0.016 29.704 29.700 0.033 0.000 0.756 285 E HN 0.597 nan 8.360 nan 0.000 0.454 286 T N 1.361 115.941 114.554 0.044 0.000 2.733 286 T HA 0.085 4.435 4.350 -0.000 0.000 0.294 286 T C -0.391 174.335 174.700 0.043 0.000 0.956 286 T CA -0.405 61.727 62.100 0.053 0.000 0.987 286 T CB 0.931 69.833 68.868 0.057 0.000 0.920 286 T HN 0.206 nan 8.240 nan 0.000 0.470 287 H N 2.944 121.998 119.070 -0.026 0.000 2.871 287 H HA 0.058 4.614 4.556 -0.000 0.000 0.355 287 H C 1.210 176.490 175.328 -0.081 0.000 1.092 287 H CA -0.311 55.707 56.048 -0.051 0.000 1.420 287 H CB 0.690 30.409 29.762 -0.071 0.000 1.400 287 H HN 0.544 nan 8.280 nan 0.000 0.604 288 I N 4.503 124.839 120.570 -0.390 0.000 2.335 288 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 288 I C 2.079 178.156 176.117 -0.066 0.000 1.129 288 I CA 1.226 62.355 61.300 -0.286 0.000 1.402 288 I CB -0.292 37.272 38.000 -0.728 0.000 1.069 288 I HN 0.651 nan 8.210 nan 0.000 0.424 289 L N -0.660 120.688 121.223 0.208 0.000 2.046 289 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 289 L C 2.374 179.249 176.870 0.008 0.000 1.077 289 L CA 1.830 56.720 54.840 0.083 0.000 0.747 289 L CB -1.170 40.907 42.059 0.029 0.000 0.896 289 L HN 0.201 nan 8.230 nan 0.000 0.432 290 T N -1.101 113.469 114.554 0.028 0.000 2.746 290 T HA -0.240 4.110 4.350 -0.000 0.000 0.267 290 T C 1.778 176.446 174.700 -0.054 0.000 1.039 290 T CA 1.509 63.604 62.100 -0.008 0.000 1.142 290 T CB -0.123 68.755 68.868 0.017 0.000 0.866 290 T HN 0.370 nan 8.240 nan 0.000 0.444 291 E N 0.519 120.690 120.200 -0.048 0.000 2.150 291 E HA -0.042 4.307 4.350 -0.000 0.000 0.193 291 E C 2.117 178.650 176.600 -0.110 0.000 0.985 291 E CA 0.510 56.861 56.400 -0.081 0.000 0.814 291 E CB -0.181 29.519 29.700 0.000 0.000 0.752 291 E HN 0.418 nan 8.360 nan 0.000 0.466 292 L N 0.409 121.584 121.223 -0.079 0.000 2.012 292 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 292 L C 2.623 179.402 176.870 -0.151 0.000 1.073 292 L CA 1.332 56.129 54.840 -0.073 0.000 0.748 292 L CB -0.419 41.625 42.059 -0.025 0.000 0.891 292 L HN 0.227 nan 8.230 nan 0.000 0.431 293 A N -0.754 121.954 122.820 -0.185 0.000 1.902 293 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 293 A C 2.181 179.473 177.584 -0.486 0.000 1.181 293 A CA 1.621 53.446 52.037 -0.352 0.000 0.623 293 A CB -0.470 18.417 19.000 -0.187 0.000 0.818 293 A HN 0.497 nan 8.150 nan 0.000 0.443 294 Q N -0.714 118.849 119.800 -0.394 0.000 2.084 294 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 294 Q C 1.971 177.637 176.000 -0.556 0.000 0.978 294 Q CA 1.396 56.811 55.803 -0.647 0.000 0.844 294 Q CB -0.148 27.798 28.738 -1.321 0.000 0.898 294 Q HN 0.604 nan 8.270 nan 0.000 0.426 295 E N 0.328 120.330 120.200 -0.330 0.000 2.150 295 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 295 E C 1.938 178.540 176.600 0.004 0.000 0.985 295 E CA 0.808 57.217 56.400 0.015 0.000 0.814 295 E CB 0.029 29.803 29.700 0.123 0.000 0.752 295 E HN 0.308 nan 8.360 nan 0.000 0.466 296 I N 0.368 120.872 120.570 -0.110 0.000 2.233 296 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 296 I C 2.092 178.220 176.117 0.019 0.000 1.093 296 I CA 1.310 62.552 61.300 -0.097 0.000 1.380 296 I CB -0.674 37.230 38.000 -0.160 0.000 1.067 296 I HN 0.159 nan 8.210 nan 0.000 0.413 297 H N -0.401 118.673 119.070 0.006 0.000 2.457 297 H HA -0.157 4.399 4.556 -0.000 0.000 0.297 297 H C 2.020 177.382 175.328 0.056 0.000 1.092 297 H CA 0.898 56.960 56.048 0.023 0.000 1.309 297 H CB 0.135 29.878 29.762 -0.033 0.000 1.382 297 H HN 0.289 nan 8.280 nan 0.000 0.535 298 E N 1.457 121.774 120.200 0.195 0.000 2.268 298 E HA -0.136 4.213 4.350 -0.000 0.000 0.195 298 E C 1.904 178.595 176.600 0.151 0.000 0.995 298 E CA 0.465 56.992 56.400 0.211 0.000 0.836 298 E CB -0.011 29.882 29.700 0.323 0.000 0.763 298 E HN 0.557 nan 8.360 nan 0.000 0.491 299 L N -0.382 120.919 121.223 0.130 0.000 2.353 299 L HA -0.060 4.280 4.340 -0.000 0.000 0.220 299 L C 1.534 178.479 176.870 0.124 0.000 1.133 299 L CA 0.768 55.672 54.840 0.107 0.000 0.798 299 L CB -0.459 41.639 42.059 0.064 0.000 0.922 299 L HN 0.292 nan 8.230 nan 0.000 0.445 300 G N -0.161 108.717 108.800 0.131 0.000 2.182 300 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 300 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 300 G C 0.341 175.270 174.900 0.048 0.000 1.042 300 G CA 0.038 45.183 45.100 0.075 0.000 0.775 300 G HN 0.552 nan 8.290 nan 0.000 0.501 301 G N -1.520 107.332 108.800 0.086 0.000 3.122 301 G HA2 0.772 4.732 3.960 -0.000 0.000 0.180 301 G HA3 0.772 4.732 3.960 -0.000 0.000 0.180 301 G C 0.799 175.600 174.900 -0.165 0.000 1.279 301 G CA 0.831 45.869 45.100 -0.103 0.000 0.987 301 G HN 1.234 nan 8.290 nan 0.000 0.589 302 T N -2.302 112.014 114.554 -0.396 0.000 3.252 302 T HA 0.308 4.658 4.350 -0.000 0.000 0.286 302 T C -0.007 174.575 174.700 -0.197 0.000 1.013 302 T CA -0.300 61.655 62.100 -0.240 0.000 0.914 302 T CB -0.646 68.080 68.868 -0.236 0.000 1.131 302 T HN 0.417 nan 8.240 nan 0.000 0.529 303 H N 1.100 120.193 119.070 0.038 0.000 2.790 303 H HA 0.522 5.078 4.556 -0.000 0.000 0.358 303 H C 0.267 175.647 175.328 0.087 0.000 1.103 303 H CA -0.142 55.929 56.048 0.037 0.000 1.426 303 H CB 0.507 30.289 29.762 0.033 0.000 1.424 303 H HN 0.251 nan 8.280 nan 0.000 0.599 304 L N 1.989 123.337 121.223 0.208 0.000 2.313 304 L HA 0.442 4.781 4.340 -0.000 0.000 0.268 304 L C -0.873 176.123 176.870 0.209 0.000 1.010 304 L CA -1.146 53.844 54.840 0.250 0.000 0.814 304 L CB 1.354 43.655 42.059 0.403 0.000 1.304 304 L HN 0.331 nan 8.230 nan 0.000 0.441 305 L N 2.213 123.547 121.223 0.185 0.000 2.457 305 L HA 0.459 4.799 4.340 -0.000 0.000 0.266 305 L C -0.993 175.940 176.870 0.105 0.000 0.979 305 L CA -0.144 54.762 54.840 0.110 0.000 0.857 305 L CB 1.307 43.387 42.059 0.036 0.000 1.213 305 L HN 0.281 nan 8.230 nan 0.000 0.418 306 L N 3.450 124.727 121.223 0.090 0.000 2.379 306 L HA 0.749 5.089 4.340 -0.000 0.000 0.269 306 L C 0.374 177.199 176.870 -0.074 0.000 1.084 306 L CA -0.462 54.404 54.840 0.042 0.000 0.802 306 L CB 1.418 43.517 42.059 0.068 0.000 1.175 306 L HN 0.726 nan 8.230 nan 0.000 0.448 307 A N 1.844 124.620 122.820 -0.073 0.000 2.304 307 A HA 0.370 4.690 4.320 -0.000 0.000 0.323 307 A C 0.035 177.504 177.584 -0.191 0.000 1.195 307 A CA -0.542 51.411 52.037 -0.140 0.000 0.826 307 A CB 0.644 19.585 19.000 -0.098 0.000 1.184 307 A HN 0.728 nan 8.150 nan 0.000 0.496 308 E N 2.851 122.858 120.200 -0.323 0.000 1.941 308 E HA 0.136 4.486 4.350 -0.000 0.000 0.275 308 E C -1.358 175.144 176.600 -0.164 0.000 1.113 308 E CA -0.009 56.213 56.400 -0.296 0.000 0.878 308 E CB 0.308 29.709 29.700 -0.498 0.000 1.070 308 E HN 0.651 nan 8.360 nan 0.000 0.399 309 D N 2.970 123.308 120.400 -0.103 0.000 2.863 309 D HA 0.040 4.680 4.640 -0.000 0.000 0.245 309 D C 0.203 176.397 176.300 -0.176 0.000 1.211 309 D CA -0.441 53.428 54.000 -0.218 0.000 0.888 309 D CB 0.856 41.530 40.800 -0.210 0.000 1.483 309 D HN 0.654 nan 8.370 nan 0.000 0.533 310 H N 1.938 120.930 119.070 -0.131 0.000 2.539 310 H HA 0.272 4.828 4.556 -0.000 0.000 0.269 310 H C 1.048 176.215 175.328 -0.268 0.000 0.980 310 H CA 0.233 56.179 56.048 -0.171 0.000 1.152 310 H CB 0.052 29.716 29.762 -0.164 0.000 1.407 310 H HN 0.171 nan 8.280 nan 0.000 0.564 311 R N 0.468 120.826 120.500 -0.237 0.000 2.307 311 R HA 0.022 4.362 4.340 -0.000 0.000 0.199 311 R C -0.200 175.915 176.300 -0.309 0.000 1.000 311 R CA 0.378 56.370 56.100 -0.179 0.000 1.023 311 R CB -0.095 30.090 30.300 -0.191 0.000 0.908 311 R HN 0.226 nan 8.270 nan 0.000 0.473 312 N N 0.677 119.019 118.700 -0.597 0.000 2.696 312 N HA -0.181 4.559 4.740 -0.000 0.000 0.256 312 N C -1.421 173.641 175.510 -0.746 0.000 1.031 312 N CA 0.668 52.846 53.050 -1.452 0.000 0.730 312 N CB -0.916 36.570 38.487 -1.669 0.000 0.894 312 N HN 0.100 nan 8.380 nan 0.000 0.544 313 L N 0.476 121.495 121.223 -0.341 0.000 2.356 313 L HA 0.490 4.830 4.340 -0.000 0.000 0.264 313 L C -1.730 175.176 176.870 0.059 0.000 1.029 313 L CA -1.698 53.083 54.840 -0.099 0.000 0.897 313 L CB 1.638 43.579 42.059 -0.197 0.000 1.256 313 L HN -0.150 nan 8.230 nan 0.000 0.444 314 P HA -0.055 nan 4.420 nan 0.000 0.228 314 P C 0.365 177.660 177.300 -0.009 0.000 1.151 314 P CA 0.894 64.093 63.100 0.164 0.000 0.770 314 P CB 0.285 32.081 31.700 0.159 0.000 0.786 315 D N -0.872 119.476 120.400 -0.087 0.000 2.263 315 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 315 D C 1.825 178.029 176.300 -0.161 0.000 0.971 315 D CA 0.749 54.664 54.000 -0.141 0.000 0.867 315 D CB -0.743 39.944 40.800 -0.188 0.000 0.929 315 D HN 0.200 nan 8.370 nan 0.000 0.492 316 L N -0.109 121.030 121.223 -0.139 0.000 2.079 316 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 316 L C 2.226 179.029 176.870 -0.112 0.000 1.081 316 L CA 0.726 55.482 54.840 -0.140 0.000 0.752 316 L CB -0.243 41.751 42.059 -0.109 0.000 0.896 316 L HN 0.019 nan 8.230 nan 0.000 0.433 317 V N -0.960 118.906 119.914 -0.081 0.000 2.426 317 V HA -0.165 3.954 4.120 -0.000 0.000 0.242 317 V C 2.559 178.610 176.094 -0.071 0.000 1.036 317 V CA 2.025 64.293 62.300 -0.053 0.000 1.044 317 V CB -0.455 31.340 31.823 -0.047 0.000 0.688 317 V HN 0.620 nan 8.190 nan 0.000 0.462 318 T N -2.875 111.623 114.554 -0.093 0.000 3.067 318 T HA 0.034 4.384 4.350 -0.000 0.000 0.261 318 T C 1.460 176.034 174.700 -0.210 0.000 1.110 318 T CA 1.220 63.272 62.100 -0.079 0.000 1.113 318 T CB 0.474 69.316 68.868 -0.043 0.000 0.917 318 T HN 0.213 nan 8.240 nan 0.000 0.499 319 V N 1.324 121.037 119.914 -0.335 0.000 2.948 319 V HA 0.198 4.318 4.120 -0.000 0.000 0.234 319 V C 1.976 177.689 176.094 -0.634 0.000 1.205 319 V CA 0.660 62.712 62.300 -0.413 0.000 1.234 319 V CB -0.359 31.330 31.823 -0.224 0.000 1.020 319 V HN 0.360 nan 8.190 nan 0.000 0.491 320 N N -0.699 117.747 118.700 -0.424 0.000 2.457 320 N HA -0.045 4.695 4.740 -0.000 0.000 0.180 320 N C 0.127 175.508 175.510 -0.214 0.000 1.050 320 N CA 0.615 53.490 53.050 -0.291 0.000 0.906 320 N CB 0.034 38.403 38.487 -0.197 0.000 0.968 320 N HN 0.462 nan 8.380 nan 0.000 0.445 321 H N -1.455 117.608 119.070 -0.011 0.000 2.969 321 H HA -0.122 4.434 4.556 -0.000 0.000 0.269 321 H C -0.336 175.018 175.328 0.045 0.000 1.230 321 H CA 0.425 56.493 56.048 0.034 0.000 1.123 321 H CB -2.149 27.661 29.762 0.079 0.000 1.289 321 H HN 0.249 nan 8.280 nan 0.000 0.364 322 L N 0.507 121.764 121.223 0.057 0.000 2.466 322 L HA 0.093 4.433 4.340 -0.000 0.000 0.257 322 L C 1.696 178.613 176.870 0.079 0.000 1.189 322 L CA 0.022 54.894 54.840 0.053 0.000 0.813 322 L CB 0.457 42.516 42.059 0.001 0.000 1.118 322 L HN 0.024 nan 8.230 nan 0.000 0.471 323 D N 0.123 120.581 120.400 0.097 0.000 2.301 323 D HA 0.163 4.803 4.640 -0.000 0.000 0.206 323 D C 0.640 176.984 176.300 0.074 0.000 0.979 323 D CA 0.674 54.737 54.000 0.106 0.000 0.874 323 D CB 1.067 41.961 40.800 0.158 0.000 0.968 323 D HN 0.708 nan 8.370 nan 0.000 0.510 324 G N -0.027 108.816 108.800 0.072 0.000 2.441 324 G HA2 0.531 4.491 3.960 -0.000 0.000 0.294 324 G HA3 0.531 4.491 3.960 -0.000 0.000 0.294 324 G C -1.879 173.070 174.900 0.082 0.000 1.393 324 G CA -0.745 44.387 45.100 0.054 0.000 0.796 324 G HN 0.003 nan 8.290 nan 0.000 0.494 325 I N -0.611 120.027 120.570 0.113 0.000 2.607 325 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 325 I C -1.122 175.197 176.117 0.336 0.000 1.129 325 I CA -0.634 60.767 61.300 0.169 0.000 1.042 325 I CB 2.472 40.559 38.000 0.146 0.000 1.242 325 I HN 0.422 nan 8.210 nan 0.000 0.421 326 W N 4.849 126.172 121.300 0.038 0.000 2.529 326 W HA 0.301 4.961 4.660 -0.000 0.000 0.319 326 W C 0.195 176.786 176.519 0.121 0.000 1.362 326 W CA -0.302 57.082 57.345 0.065 0.000 1.348 326 W CB 0.309 29.764 29.460 -0.007 0.000 1.403 326 W HN 0.263 nan 8.180 nan 0.000 0.519 327 T N 4.067 118.862 114.554 0.401 0.000 2.792 327 T HA 0.155 4.505 4.350 -0.000 0.000 0.280 327 T C 0.274 175.142 174.700 0.280 0.000 0.990 327 T CA -0.557 61.784 62.100 0.402 0.000 0.960 327 T CB 1.603 70.873 68.868 0.671 0.000 0.939 327 T HN 0.190 nan 8.240 nan 0.000 0.439 328 D N 1.265 121.740 120.400 0.126 0.000 2.398 328 D HA 0.061 4.701 4.640 -0.000 0.000 0.210 328 D C 0.995 177.099 176.300 -0.327 0.000 1.094 328 D CA -0.031 53.871 54.000 -0.164 0.000 0.839 328 D CB 0.420 40.999 40.800 -0.367 0.000 0.963 328 D HN 0.411 nan 8.370 nan 0.000 0.506 329 D N 0.482 120.927 120.400 0.076 0.000 2.123 329 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 329 D C 1.690 178.002 176.300 0.021 0.000 0.992 329 D CA 0.599 54.730 54.000 0.218 0.000 0.833 329 D CB -0.284 40.840 40.800 0.539 0.000 0.954 329 D HN 0.231 nan 8.370 nan 0.000 0.455 330 F N 1.313 121.148 119.950 -0.192 0.000 2.069 330 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 330 F C 2.454 178.078 175.800 -0.294 0.000 1.113 330 F CA 1.770 59.537 58.000 -0.389 0.000 1.214 330 F CB -0.387 37.933 39.000 -1.134 0.000 0.978 330 F HN 0.088 nan 8.300 nan 0.000 0.474 331 H N -0.562 118.336 119.070 -0.287 0.000 2.319 331 H HA -0.213 4.343 4.556 -0.000 0.000 0.297 331 H C 2.176 177.389 175.328 -0.193 0.000 1.097 331 H CA 2.440 58.331 56.048 -0.261 0.000 1.285 331 H CB -0.625 29.025 29.762 -0.188 0.000 1.368 331 H HN 0.360 nan 8.280 nan 0.000 0.495 332 H N 0.307 119.272 119.070 -0.176 0.000 2.357 332 H HA -0.066 4.489 4.556 -0.000 0.000 0.301 332 H C 2.380 177.465 175.328 -0.405 0.000 1.082 332 H CA 1.380 57.290 56.048 -0.231 0.000 1.342 332 H CB -0.349 28.994 29.762 -0.698 0.000 1.389 332 H HN 0.454 nan 8.280 nan 0.000 0.511 333 E N 0.225 120.217 120.200 -0.347 0.000 2.077 333 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 333 E C 2.103 178.568 176.600 -0.225 0.000 0.989 333 E CA 1.724 58.019 56.400 -0.176 0.000 0.800 333 E CB -0.004 29.648 29.700 -0.080 0.000 0.746 333 E HN 0.322 nan 8.360 nan 0.000 0.452 334 T N -0.003 114.304 114.554 -0.412 0.000 2.708 334 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 334 T C 1.860 176.419 174.700 -0.236 0.000 1.037 334 T CA 1.461 63.348 62.100 -0.355 0.000 1.146 334 T CB -0.270 68.272 68.868 -0.542 0.000 0.865 334 T HN 0.170 nan 8.240 nan 0.000 0.435 335 R N 0.629 120.947 120.500 -0.304 0.000 2.081 335 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 335 R C 2.278 178.462 176.300 -0.194 0.000 1.131 335 R CA 1.208 57.163 56.100 -0.242 0.000 0.960 335 R CB -0.509 29.615 30.300 -0.293 0.000 0.856 335 R HN 0.217 nan 8.270 nan 0.000 0.436 336 V N 0.563 120.394 119.914 -0.138 0.000 2.515 336 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 336 V C 2.135 178.177 176.094 -0.086 0.000 1.058 336 V CA 2.193 64.443 62.300 -0.084 0.000 1.064 336 V CB -0.478 31.379 31.823 0.056 0.000 0.675 336 V HN 0.487 nan 8.190 nan 0.000 0.461 337 T N 0.562 115.053 114.554 -0.105 0.000 2.720 337 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 337 T C 1.773 176.391 174.700 -0.138 0.000 1.037 337 T CA 1.618 63.637 62.100 -0.135 0.000 1.144 337 T CB -0.244 68.509 68.868 -0.191 0.000 0.864 337 T HN 0.340 nan 8.240 nan 0.000 0.444 338 L N 0.699 121.855 121.223 -0.113 0.000 2.341 338 L HA 0.056 4.396 4.340 -0.000 0.000 0.214 338 L C 2.710 179.540 176.870 -0.066 0.000 1.115 338 L CA 1.310 56.108 54.840 -0.070 0.000 0.820 338 L CB -0.427 41.635 42.059 0.005 0.000 0.944 338 L HN 0.440 nan 8.230 nan 0.000 0.452 339 T N -5.734 108.764 114.554 -0.093 0.000 2.955 339 T HA 0.228 4.578 4.350 -0.000 0.000 0.251 339 T C 1.508 176.152 174.700 -0.092 0.000 1.002 339 T CA 0.585 62.628 62.100 -0.096 0.000 0.970 339 T CB 0.874 69.660 68.868 -0.136 0.000 1.091 339 T HN 0.287 nan 8.240 nan 0.000 0.495 340 G N 2.668 111.413 108.800 -0.092 0.000 2.168 340 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.263 340 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.263 340 G C -0.062 174.795 174.900 -0.072 0.000 0.977 340 G CA 0.494 45.552 45.100 -0.070 0.000 0.659 340 G HN 1.120 nan 8.290 nan 0.000 0.533 341 E N -0.372 119.758 120.200 -0.117 0.000 2.408 341 E HA 0.465 4.815 4.350 -0.000 0.000 0.259 341 E C 0.266 176.836 176.600 -0.051 0.000 1.110 341 E CA -0.055 56.273 56.400 -0.120 0.000 0.929 341 E CB 0.512 30.076 29.700 -0.227 0.000 0.971 341 E HN 0.227 nan 8.360 nan 0.000 0.438 342 Q N 0.535 120.326 119.800 -0.015 0.000 2.028 342 Q HA 0.133 4.473 4.340 -0.000 0.000 0.207 342 Q C -0.829 175.182 176.000 0.019 0.000 0.776 342 Q CA -0.085 55.733 55.803 0.025 0.000 1.015 342 Q CB 0.989 29.722 28.738 -0.007 0.000 1.215 342 Q HN 0.552 nan 8.270 nan 0.000 0.445 343 E N 0.514 120.732 120.200 0.029 0.000 2.349 343 E HA 0.444 4.794 4.350 -0.000 0.000 0.262 343 E C 1.006 177.588 176.600 -0.029 0.000 1.088 343 E CA 0.517 56.920 56.400 0.005 0.000 0.899 343 E CB 0.822 30.530 29.700 0.014 0.000 1.044 343 E HN 0.261 nan 8.360 nan 0.000 0.420 344 G N 1.959 110.714 108.800 -0.076 0.000 2.634 344 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.309 344 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.309 344 G C 0.788 175.595 174.900 -0.155 0.000 1.265 344 G CA 1.035 46.055 45.100 -0.133 0.000 0.998 344 G HN 0.703 nan 8.290 nan 0.000 0.551 345 Y N -1.103 119.125 120.300 -0.119 0.000 2.497 345 Y HA 0.247 4.797 4.550 -0.000 0.000 0.292 345 Y C 2.511 178.343 175.900 -0.113 0.000 1.137 345 Y CA 1.425 59.464 58.100 -0.102 0.000 1.285 345 Y CB -0.760 37.667 38.460 -0.055 0.000 0.991 345 Y HN 0.419 nan 8.280 nan 0.000 0.556 346 Y N 1.212 121.453 120.300 -0.099 0.000 2.403 346 Y HA -0.037 4.513 4.550 -0.000 0.000 0.291 346 Y C 2.594 178.552 175.900 0.098 0.000 1.143 346 Y CA 0.510 58.660 58.100 0.083 0.000 1.257 346 Y CB -0.775 37.638 38.460 -0.078 0.000 0.984 346 Y HN 0.316 nan 8.280 nan 0.000 0.550 347 A N -0.011 122.831 122.820 0.036 0.000 2.178 347 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 347 A C 2.467 179.895 177.584 -0.259 0.000 1.157 347 A CA 1.331 53.310 52.037 -0.097 0.000 0.689 347 A CB -1.198 17.701 19.000 -0.168 0.000 0.787 347 A HN 0.446 nan 8.150 nan 0.000 0.465 348 G N -2.070 106.475 108.800 -0.426 0.000 2.848 348 G HA2 0.256 4.216 3.960 -0.000 0.000 0.208 348 G HA3 0.256 4.216 3.960 -0.000 0.000 0.208 348 G C 0.091 174.584 174.900 -0.679 0.000 1.152 348 G CA 0.284 44.873 45.100 -0.851 0.000 0.789 348 G HN 0.476 nan 8.290 nan 0.000 0.531 349 Y N -2.133 118.222 120.300 0.092 0.000 2.492 349 Y HA 0.476 5.025 4.550 -0.000 0.000 0.346 349 Y C 1.036 176.970 175.900 0.055 0.000 0.997 349 Y CA -1.227 56.959 58.100 0.143 0.000 1.025 349 Y CB 1.832 40.426 38.460 0.223 0.000 1.263 349 Y HN -0.154 nan 8.280 nan 0.000 0.454 350 R N 1.745 122.327 120.500 0.136 0.000 2.100 350 R HA 0.297 4.636 4.340 -0.000 0.000 0.220 350 R C 0.626 176.956 176.300 0.049 0.000 1.091 350 R CA 1.145 57.276 56.100 0.051 0.000 0.986 350 R CB -0.230 30.065 30.300 -0.008 0.000 0.888 350 R HN 1.063 nan 8.270 nan 0.000 0.444 351 G N -0.514 108.329 108.800 0.072 0.000 2.860 351 G HA2 0.139 4.098 3.960 -0.000 0.000 0.553 351 G HA3 0.139 4.098 3.960 -0.000 0.000 0.553 351 G C 0.050 174.915 174.900 -0.059 0.000 1.439 351 G CA -0.349 44.751 45.100 -0.000 0.000 0.879 351 G HN 0.925 nan 8.290 nan 0.000 0.545 352 G N -2.233 106.504 108.800 -0.106 0.000 2.541 352 G HA2 0.503 4.463 3.960 -0.000 0.000 0.686 352 G HA3 0.503 4.463 3.960 -0.000 0.000 0.686 352 G C 1.013 175.817 174.900 -0.160 0.000 1.286 352 G CA 0.887 45.901 45.100 -0.143 0.000 0.894 352 G HN 2.426 nan 8.290 nan 0.000 0.575 353 A N -0.459 122.258 122.820 -0.173 0.000 1.877 353 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 353 A C 2.103 179.580 177.584 -0.180 0.000 1.186 353 A CA 2.478 54.432 52.037 -0.139 0.000 0.620 353 A CB -0.538 18.428 19.000 -0.056 0.000 0.822 353 A HN 1.146 nan 8.150 nan 0.000 0.443 354 E N -0.087 119.870 120.200 -0.405 0.000 2.077 354 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 354 E C 2.119 178.607 176.600 -0.187 0.000 0.989 354 E CA 1.099 57.169 56.400 -0.550 0.000 0.800 354 E CB -0.272 28.913 29.700 -0.858 0.000 0.746 354 E HN 0.520 nan 8.360 nan 0.000 0.452 355 A N 1.101 123.841 122.820 -0.133 0.000 1.902 355 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 355 A C 2.226 179.845 177.584 0.058 0.000 1.181 355 A CA 1.178 53.204 52.037 -0.019 0.000 0.623 355 A CB -0.697 18.294 19.000 -0.014 0.000 0.818 355 A HN 0.321 nan 8.150 nan 0.000 0.443 356 L N -0.730 120.496 121.223 0.004 0.000 2.012 356 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 356 L C 3.133 180.043 176.870 0.067 0.000 1.073 356 L CA 1.172 56.033 54.840 0.036 0.000 0.748 356 L CB -0.564 41.507 42.059 0.019 0.000 0.891 356 L HN 0.447 nan 8.230 nan 0.000 0.431 357 A N -0.842 121.985 122.820 0.013 0.000 1.908 357 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 357 A C 2.181 179.770 177.584 0.009 0.000 1.181 357 A CA 1.897 53.914 52.037 -0.033 0.000 0.627 357 A CB -0.926 18.005 19.000 -0.115 0.000 0.818 357 A HN 0.511 nan 8.150 nan 0.000 0.445 358 Y N 0.803 121.077 120.300 -0.044 0.000 2.163 358 Y HA -0.145 4.404 4.550 -0.000 0.000 0.288 358 Y C 2.707 178.619 175.900 0.020 0.000 1.136 358 Y CA 2.297 60.385 58.100 -0.019 0.000 1.147 358 Y CB -0.535 37.912 38.460 -0.021 0.000 0.987 358 Y HN 0.295 nan 8.280 nan 0.000 0.509 359 T N 1.165 115.832 114.554 0.189 0.000 2.746 359 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 359 T C 1.929 176.671 174.700 0.071 0.000 1.039 359 T CA 1.961 64.164 62.100 0.172 0.000 1.142 359 T CB -0.415 68.606 68.868 0.254 0.000 0.866 359 T HN 0.328 nan 8.240 nan 0.000 0.444 360 I N 1.494 122.116 120.570 0.087 0.000 2.179 360 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 360 I C 2.731 178.777 176.117 -0.118 0.000 1.088 360 I CA 1.419 62.755 61.300 0.061 0.000 1.357 360 I CB -0.378 37.688 38.000 0.109 0.000 1.051 360 I HN 0.264 nan 8.210 nan 0.000 0.409 361 R N 0.706 121.105 120.500 -0.168 0.000 2.189 361 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 361 R C 1.768 177.889 176.300 -0.298 0.000 1.092 361 R CA 0.897 56.864 56.100 -0.221 0.000 0.989 361 R CB -0.232 29.949 30.300 -0.199 0.000 0.876 361 R HN 0.171 nan 8.270 nan 0.000 0.457 362 R N 0.079 120.355 120.500 -0.374 0.000 2.300 362 R HA 0.207 4.547 4.340 -0.000 0.000 0.199 362 R C 1.379 177.454 176.300 -0.376 0.000 0.920 362 R CA 0.638 56.528 56.100 -0.351 0.000 1.046 362 R CB 0.335 30.397 30.300 -0.396 0.000 0.984 362 R HN 0.582 nan 8.270 nan 0.000 0.493 363 G N 0.936 109.464 108.800 -0.454 0.000 3.078 363 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.227 363 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.227 363 G C -0.213 174.597 174.900 -0.149 0.000 1.306 363 G CA 0.698 45.272 45.100 -0.876 0.000 0.841 363 G HN 0.387 nan 8.290 nan 0.000 0.530 364 W N -0.574 120.822 121.300 0.159 0.000 2.962 364 W HA 0.885 5.545 4.660 0.000 0.000 0.341 364 W C 0.578 177.238 176.519 0.235 0.000 1.155 364 W CA -1.140 56.372 57.345 0.278 0.000 1.165 364 W CB 0.734 30.419 29.460 0.374 0.000 1.435 364 W HN 0.239 nan 8.180 nan 0.000 0.546 365 R N 0.055 120.929 120.500 0.624 0.000 2.062 365 R HA 0.067 4.407 4.340 -0.000 0.000 0.226 365 R C -0.275 176.233 176.300 0.348 0.000 1.125 365 R CA 0.790 57.173 56.100 0.472 0.000 0.966 365 R CB -0.383 30.160 30.300 0.405 0.000 0.861 365 R HN 0.552 nan 8.270 nan 0.000 0.433 366 Y N 1.421 121.929 120.300 0.346 0.000 2.477 366 Y HA 0.142 4.692 4.550 -0.000 0.000 0.349 366 Y C 0.044 176.028 175.900 0.141 0.000 0.977 366 Y CA -0.099 58.104 58.100 0.172 0.000 1.214 366 Y CB 1.415 39.887 38.460 0.020 0.000 1.124 366 Y HN 0.154 nan 8.280 nan 0.000 0.521 367 E N 2.255 122.628 120.200 0.288 0.000 2.651 367 E HA 0.268 4.618 4.350 -0.000 0.000 0.208 367 E C 1.132 177.815 176.600 0.137 0.000 0.997 367 E CA 0.241 56.818 56.400 0.295 0.000 1.020 367 E CB 0.660 30.569 29.700 0.349 0.000 1.052 367 E HN 1.034 nan 8.360 nan 0.000 0.465 368 G N 1.602 110.445 108.800 0.071 0.000 2.367 368 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.181 368 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.181 368 G C 0.350 175.298 174.900 0.081 0.000 1.000 368 G CA -0.360 44.746 45.100 0.010 0.000 0.693 368 G HN 0.210 nan 8.290 nan 0.000 0.480 369 Q N 0.544 120.428 119.800 0.140 0.000 2.471 369 Q HA 0.509 4.849 4.340 -0.000 0.000 0.223 369 Q C -0.208 175.961 176.000 0.283 0.000 1.045 369 Q CA -0.676 55.234 55.803 0.178 0.000 0.956 369 Q CB 0.887 29.690 28.738 0.109 0.000 1.249 369 Q HN 0.425 nan 8.270 nan 0.000 0.549 370 F N 1.970 121.986 119.950 0.111 0.000 2.543 370 F HA 0.114 4.640 4.527 -0.001 0.000 0.375 370 F C -0.376 175.552 175.800 0.213 0.000 1.075 370 F CA -0.466 57.593 58.000 0.099 0.000 1.225 370 F CB 0.405 39.435 39.000 0.049 0.000 1.099 370 F HN 0.562 nan 8.300 nan 0.000 0.561 371 W N 8.111 128.964 121.300 -0.745 0.000 2.308 371 W HA 0.513 5.172 4.660 -0.001 0.000 0.311 371 W C -0.687 175.208 176.519 -1.039 0.000 1.088 371 W CA -0.653 56.215 57.345 -0.796 0.000 1.309 371 W CB 1.557 30.456 29.460 -0.934 0.000 1.229 371 W HN 0.708 nan 8.180 nan 0.000 0.427 372 A N 5.547 127.843 122.820 -0.873 0.000 2.345 372 A HA 0.191 4.511 4.320 -0.000 0.000 0.225 372 A C 0.234 177.506 177.584 -0.520 0.000 1.243 372 A CA -0.098 51.577 52.037 -0.604 0.000 0.875 372 A CB -0.268 18.652 19.000 -0.133 0.000 0.929 372 A HN 0.293 nan 8.150 nan 0.000 0.502 373 V N 2.043 121.444 119.914 -0.856 0.000 2.540 373 V HA -0.035 4.085 4.120 -0.000 0.000 0.297 373 V C 0.601 176.523 176.094 -0.286 0.000 1.024 373 V CA 0.207 62.135 62.300 -0.620 0.000 1.105 373 V CB 0.145 31.464 31.823 -0.840 0.000 0.938 373 V HN 0.438 nan 8.190 nan 0.000 0.482 374 K N 3.923 124.218 120.400 -0.176 0.000 2.451 374 K HA 0.317 4.637 4.320 -0.000 0.000 0.280 374 K C 1.298 177.868 176.600 -0.050 0.000 1.020 374 K CA 0.851 57.087 56.287 -0.084 0.000 1.008 374 K CB 0.344 32.806 32.500 -0.064 0.000 0.917 374 K HN 1.085 nan 8.250 nan 0.000 0.478 375 G N 2.724 111.513 108.800 -0.018 0.000 2.225 375 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 375 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 375 G C 0.394 175.309 174.900 0.025 0.000 0.988 375 G CA 0.260 45.359 45.100 -0.002 0.000 0.625 375 G HN 0.724 nan 8.290 nan 0.000 0.527 376 E N 0.076 120.311 120.200 0.058 0.000 2.714 376 E HA 0.206 4.556 4.350 -0.000 0.000 0.219 376 E C -0.225 176.546 176.600 0.285 0.000 0.979 376 E CA -0.301 56.198 56.400 0.165 0.000 1.092 376 E CB 0.597 30.491 29.700 0.324 0.000 1.049 376 E HN 0.562 nan 8.360 nan 0.000 0.487 377 E N 2.706 122.981 120.200 0.125 0.000 2.415 377 E HA 0.035 4.385 4.350 -0.000 0.000 0.263 377 E C 0.027 176.752 176.600 0.208 0.000 0.995 377 E CA 0.602 57.008 56.400 0.009 0.000 0.915 377 E CB 0.243 29.995 29.700 0.086 0.000 0.951 377 E HN 0.239 nan 8.360 nan 0.000 0.449 378 H N 0.348 119.350 119.070 -0.113 0.000 2.904 378 H HA 0.239 4.795 4.556 -0.000 0.000 0.290 378 H C -1.113 174.255 175.328 0.066 0.000 1.437 378 H CA -1.023 55.060 56.048 0.058 0.000 1.147 378 H CB 0.412 30.185 29.762 0.019 0.000 1.824 378 H HN 0.432 nan 8.280 nan 0.000 0.505 379 E N 1.453 121.709 120.200 0.093 0.000 2.129 379 E HA 0.234 4.584 4.350 -0.000 0.000 0.283 379 E C -0.100 176.398 176.600 -0.170 0.000 1.080 379 E CA -0.388 56.024 56.400 0.019 0.000 0.867 379 E CB 1.592 31.362 29.700 0.117 0.000 1.056 379 E HN 0.250 nan 8.360 nan 0.000 0.404 380 R N 2.664 122.977 120.500 -0.312 0.000 2.338 380 R HA 0.495 4.835 4.340 -0.000 0.000 0.317 380 R C 0.038 176.232 176.300 -0.177 0.000 0.968 380 R CA 0.263 56.144 56.100 -0.366 0.000 0.849 380 R CB 0.893 30.773 30.300 -0.699 0.000 1.128 380 R HN 0.716 nan 8.270 nan 0.000 0.448 381 G N 2.163 110.806 108.800 -0.261 0.000 2.631 381 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.504 381 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.504 381 G C -1.539 173.069 174.900 -0.486 0.000 1.306 381 G CA -0.694 44.237 45.100 -0.281 0.000 0.897 381 G HN 0.757 nan 8.290 nan 0.000 0.520 382 H N -0.501 118.628 119.070 0.098 0.000 2.985 382 H HA 0.620 5.176 4.556 -0.000 0.000 0.360 382 H C -2.523 173.040 175.328 0.392 0.000 1.221 382 H CA -1.259 54.911 56.048 0.204 0.000 1.121 382 H CB 1.873 31.731 29.762 0.160 0.000 1.854 382 H HN 0.540 nan 8.280 nan 0.000 0.551 383 P HA -0.024 nan 4.420 nan 0.000 0.265 383 P C 0.360 177.868 177.300 0.346 0.000 1.193 383 P CA 0.215 63.509 63.100 0.323 0.000 0.765 383 P CB 0.675 32.497 31.700 0.202 0.000 0.823 384 S N 0.426 116.241 115.700 0.191 0.000 2.575 384 S HA -0.017 4.453 4.470 -0.000 0.000 0.215 384 S C 0.930 175.496 174.600 -0.056 0.000 0.966 384 S CA 0.223 58.367 58.200 -0.095 0.000 0.911 384 S CB -0.708 62.174 63.200 -0.531 0.000 0.780 384 S HN 0.228 nan 8.310 nan 0.000 0.514 385 D N 3.208 123.613 120.400 0.010 0.000 2.158 385 D HA -0.041 4.599 4.640 -0.000 0.000 0.197 385 D C 2.079 178.376 176.300 -0.005 0.000 0.995 385 D CA 1.528 55.528 54.000 -0.000 0.000 0.846 385 D CB -0.455 40.357 40.800 0.020 0.000 0.941 385 D HN 0.604 nan 8.370 nan 0.000 0.456 386 A N 0.127 122.946 122.820 -0.000 0.000 2.015 386 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 386 A C 1.039 178.600 177.584 -0.038 0.000 1.163 386 A CA 0.477 52.508 52.037 -0.011 0.000 0.646 386 A CB -0.401 18.598 19.000 -0.002 0.000 0.806 386 A HN 0.176 nan 8.150 nan 0.000 0.448 387 L N 0.351 121.528 121.223 -0.077 0.000 2.371 387 L HA 0.371 4.711 4.340 -0.000 0.000 0.272 387 L C 0.296 177.167 176.870 0.003 0.000 1.124 387 L CA -0.550 54.205 54.840 -0.142 0.000 0.816 387 L CB 0.968 42.736 42.059 -0.484 0.000 1.129 387 L HN 0.239 nan 8.230 nan 0.000 0.448 388 E N 1.132 121.325 120.200 -0.011 0.000 2.250 388 E HA 0.405 4.755 4.350 -0.000 0.000 0.265 388 E C 0.565 177.233 176.600 0.113 0.000 1.033 388 E CA 0.116 56.538 56.400 0.038 0.000 0.888 388 E CB 1.800 31.497 29.700 -0.006 0.000 1.151 388 E HN 0.547 nan 8.360 nan 0.000 0.412 389 A N 3.089 125.946 122.820 0.062 0.000 1.903 389 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 389 A C -0.819 176.796 177.584 0.051 0.000 1.191 389 A CA 1.907 53.966 52.037 0.036 0.000 0.638 389 A CB -1.709 17.238 19.000 -0.089 0.000 0.823 389 A HN 0.656 nan 8.150 nan 0.000 0.451 390 P HA -0.086 nan 4.420 nan 0.000 0.222 390 P C 0.830 178.130 177.300 0.001 0.000 1.147 390 P CA 0.956 64.048 63.100 -0.014 0.000 0.790 390 P CB -0.160 31.529 31.700 -0.018 0.000 0.780 391 N N -1.019 117.656 118.700 -0.042 0.000 2.443 391 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 391 N C 0.057 175.432 175.510 -0.225 0.000 1.037 391 N CA 0.782 53.740 53.050 -0.152 0.000 0.896 391 N CB -0.354 37.948 38.487 -0.308 0.000 0.959 391 N HN 0.239 nan 8.380 nan 0.000 0.442 392 F N 0.491 120.387 119.950 -0.090 0.000 2.405 392 F HA 0.285 4.811 4.527 -0.000 0.000 0.355 392 F C 0.324 176.064 175.800 -0.100 0.000 1.121 392 F CA -0.792 57.162 58.000 -0.076 0.000 1.112 392 F CB 1.230 40.054 39.000 -0.294 0.000 1.126 392 F HN -0.373 nan 8.300 nan 0.000 0.481 393 V N 5.048 125.084 119.914 0.204 0.000 2.333 393 V HA 0.239 4.359 4.120 -0.000 0.000 0.274 393 V C -0.498 175.710 176.094 0.189 0.000 1.028 393 V CA -0.775 61.592 62.300 0.112 0.000 0.851 393 V CB 0.150 31.996 31.823 0.038 0.000 1.000 393 V HN 0.442 nan 8.190 nan 0.000 0.456 394 Y N 3.671 123.911 120.300 -0.100 0.000 2.419 394 Y HA 0.761 5.310 4.550 -0.000 0.000 0.328 394 Y C 0.503 176.343 175.900 -0.101 0.000 1.162 394 Y CA -1.597 56.423 58.100 -0.132 0.000 1.174 394 Y CB 1.806 39.999 38.460 -0.444 0.000 1.228 394 Y HN 0.885 nan 8.280 nan 0.000 0.473 395 C N 1.774 121.175 119.300 0.168 0.000 3.318 395 C HA 0.659 5.119 4.460 -0.000 0.000 0.322 395 C C 0.672 175.846 174.990 0.306 0.000 1.398 395 C CA -0.961 58.138 59.018 0.135 0.000 1.339 395 C CB 0.557 28.257 27.740 -0.066 0.000 1.668 395 C HN 0.916 nan 8.230 nan 0.000 0.462 396 I N -1.853 118.864 120.570 0.245 0.000 4.181 396 I HA 0.344 4.514 4.170 -0.000 0.000 0.331 396 I C -0.055 176.259 176.117 0.328 0.000 1.312 396 I CA 0.414 61.864 61.300 0.251 0.000 1.146 396 I CB -0.052 38.019 38.000 0.118 0.000 1.074 396 I HN 0.689 nan 8.210 nan 0.000 0.402 397 Q N 2.614 122.536 119.800 0.202 0.000 2.353 397 Q HA 0.440 4.780 4.340 -0.000 0.000 0.275 397 Q C -1.589 174.372 176.000 -0.066 0.000 1.029 397 Q CA -0.445 55.415 55.803 0.094 0.000 0.848 397 Q CB 2.614 31.428 28.738 0.127 0.000 1.390 397 Q HN 0.564 nan 8.270 nan 0.000 0.401 398 N N -1.578 116.972 118.700 -0.250 0.000 3.106 398 N HA 0.126 4.866 4.740 -0.000 0.000 0.253 398 N C 0.369 175.464 175.510 -0.691 0.000 1.506 398 N CA -0.326 52.521 53.050 -0.339 0.000 0.876 398 N CB -0.115 38.201 38.487 -0.285 0.000 1.452 398 N HN 0.612 nan 8.380 nan 0.000 0.542 399 H N -2.159 116.569 119.070 -0.570 0.000 2.387 399 H HA 0.073 4.629 4.556 -0.000 0.000 0.299 399 H C 0.310 175.409 175.328 -0.382 0.000 1.099 399 H CA 1.822 57.407 56.048 -0.771 0.000 1.315 399 H CB -0.169 29.303 29.762 -0.484 0.000 1.380 399 H HN 0.518 nan 8.280 nan 0.000 0.513 400 D N 0.303 120.280 120.400 -0.705 0.000 2.137 400 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 400 D C 2.026 178.297 176.300 -0.047 0.000 0.970 400 D CA 0.828 54.697 54.000 -0.218 0.000 0.837 400 D CB -0.068 40.574 40.800 -0.263 0.000 0.981 400 D HN 0.440 nan 8.370 nan 0.000 0.475 401 Q N 0.025 119.721 119.800 -0.173 0.000 2.436 401 Q HA 0.036 4.375 4.340 -0.000 0.000 0.209 401 Q C 2.185 178.220 176.000 0.058 0.000 0.965 401 Q CA 0.336 56.112 55.803 -0.045 0.000 0.910 401 Q CB 0.393 28.908 28.738 -0.372 0.000 0.980 401 Q HN 0.450 nan 8.270 nan 0.000 0.491 402 I N -1.077 119.466 120.570 -0.044 0.000 2.681 402 I HA 0.015 4.185 4.170 -0.000 0.000 0.247 402 I C 2.145 178.355 176.117 0.155 0.000 1.091 402 I CA 0.854 62.167 61.300 0.021 0.000 1.442 402 I CB -0.426 37.502 38.000 -0.119 0.000 1.219 402 I HN 0.109 nan 8.210 nan 0.000 0.451 403 G N 0.941 109.893 108.800 0.253 0.000 2.484 403 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 403 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 403 G C 1.105 176.321 174.900 0.526 0.000 1.130 403 G CA 0.412 45.842 45.100 0.550 0.000 0.784 403 G HN 0.259 nan 8.290 nan 0.000 0.543 404 N N 0.620 119.560 118.700 0.401 0.000 2.370 404 N HA 0.091 4.831 4.740 -0.000 0.000 0.198 404 N C 0.448 176.136 175.510 0.297 0.000 1.156 404 N CA 0.055 53.311 53.050 0.343 0.000 0.839 404 N CB 0.328 38.997 38.487 0.303 0.000 0.989 404 N HN 0.367 nan 8.380 nan 0.000 0.468 405 R N 0.749 121.359 120.500 0.183 0.000 2.457 405 R HA 0.217 4.557 4.340 -0.000 0.000 0.284 405 R C -1.390 174.785 176.300 -0.209 0.000 1.024 405 R CA -1.561 54.560 56.100 0.034 0.000 1.025 405 R CB 0.587 30.912 30.300 0.042 0.000 1.063 405 R HN -0.089 nan 8.270 nan 0.000 0.493 406 P HA -0.170 nan 4.420 nan 0.000 0.216 406 P C 0.738 177.807 177.300 -0.385 0.000 1.153 406 P CA 1.560 64.092 63.100 -0.946 0.000 0.858 406 P CB 0.195 31.383 31.700 -0.854 0.000 0.789 407 L N -2.899 118.203 121.223 -0.202 0.000 2.693 407 L HA 0.364 4.704 4.340 -0.000 0.000 0.235 407 L C 1.226 178.086 176.870 -0.017 0.000 1.127 407 L CA 0.350 55.137 54.840 -0.088 0.000 0.914 407 L CB -0.698 41.318 42.059 -0.072 0.000 1.193 407 L HN 0.080 nan 8.230 nan 0.000 0.502 408 G N 1.687 110.492 108.800 0.008 0.000 2.249 408 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 408 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 408 G C 0.259 175.202 174.900 0.072 0.000 1.036 408 G CA 0.540 45.695 45.100 0.092 0.000 0.824 408 G HN 0.540 nan 8.290 nan 0.000 0.504 409 E N 0.527 120.738 120.200 0.017 0.000 2.343 409 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 409 E C 0.576 177.162 176.600 -0.023 0.000 1.047 409 E CA -0.598 55.789 56.400 -0.021 0.000 0.874 409 E CB 0.934 30.595 29.700 -0.064 0.000 1.033 409 E HN 0.493 nan 8.360 nan 0.000 0.409 410 R N 1.234 121.685 120.500 -0.083 0.000 2.649 410 R HA 0.104 4.444 4.340 -0.000 0.000 0.270 410 R C 1.298 177.540 176.300 -0.097 0.000 1.105 410 R CA -0.623 55.439 56.100 -0.064 0.000 1.193 410 R CB 0.266 30.532 30.300 -0.057 0.000 1.120 410 R HN 0.484 nan 8.270 nan 0.000 0.561 411 L N 2.088 123.373 121.223 0.104 0.000 2.042 411 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 411 L C 2.294 179.205 176.870 0.069 0.000 1.076 411 L CA 1.912 56.848 54.840 0.161 0.000 0.749 411 L CB -0.743 41.541 42.059 0.374 0.000 0.893 411 L HN 0.720 nan 8.230 nan 0.000 0.432 412 H N -1.296 117.684 119.070 -0.149 0.000 2.546 412 H HA -0.047 4.509 4.556 -0.000 0.000 0.277 412 H C 1.356 176.603 175.328 -0.136 0.000 1.004 412 H CA 1.107 56.998 56.048 -0.262 0.000 1.231 412 H CB -0.413 28.912 29.762 -0.729 0.000 1.382 412 H HN 0.586 nan 8.280 nan 0.000 0.580 413 Q N 0.823 120.327 119.800 -0.494 0.000 2.356 413 Q HA 0.175 4.515 4.340 -0.000 0.000 0.205 413 Q C 0.237 176.145 176.000 -0.154 0.000 0.901 413 Q CA -0.178 55.435 55.803 -0.316 0.000 0.938 413 Q CB 0.771 29.291 28.738 -0.364 0.000 1.081 413 Q HN 0.174 nan 8.270 nan 0.000 0.517 414 S N 1.960 117.592 115.700 -0.115 0.000 2.564 414 S HA 0.009 4.479 4.470 -0.000 0.000 0.278 414 S C -0.250 174.316 174.600 -0.057 0.000 1.333 414 S CA -0.515 57.640 58.200 -0.075 0.000 1.048 414 S CB 0.620 63.781 63.200 -0.065 0.000 0.900 414 S HN 0.227 nan 8.310 nan 0.000 0.505 415 D N 1.134 121.501 120.400 -0.054 0.000 2.531 415 D HA 0.319 4.959 4.640 -0.000 0.000 0.239 415 D C 1.287 177.566 176.300 -0.035 0.000 1.144 415 D CA 1.661 55.636 54.000 -0.043 0.000 0.869 415 D CB -0.143 40.632 40.800 -0.041 0.000 1.160 415 D HN 0.665 nan 8.370 nan 0.000 0.484 416 G N 2.229 111.014 108.800 -0.025 0.000 2.284 416 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.230 416 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.230 416 G C 0.343 175.242 174.900 -0.001 0.000 1.021 416 G CA 0.013 45.103 45.100 -0.017 0.000 0.619 416 G HN 0.716 nan 8.290 nan 0.000 0.510 417 V N 3.422 123.341 119.914 0.008 0.000 2.540 417 V HA 0.440 4.560 4.120 -0.000 0.000 0.297 417 V C 1.334 177.467 176.094 0.066 0.000 1.024 417 V CA 0.798 63.129 62.300 0.051 0.000 1.105 417 V CB 0.648 32.513 31.823 0.071 0.000 0.938 417 V HN 0.886 nan 8.190 nan 0.000 0.482 418 T N 2.747 117.357 114.554 0.093 0.000 2.918 418 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 418 T C 1.043 175.845 174.700 0.171 0.000 1.001 418 T CA -0.738 61.413 62.100 0.084 0.000 1.041 418 T CB 1.123 70.012 68.868 0.036 0.000 1.028 418 T HN 0.320 nan 8.240 nan 0.000 0.511 419 L N 0.495 121.807 121.223 0.149 0.000 2.191 419 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 419 L C 2.782 179.890 176.870 0.396 0.000 1.103 419 L CA 1.334 56.322 54.840 0.247 0.000 0.769 419 L CB -0.659 41.507 42.059 0.178 0.000 0.908 419 L HN 0.849 nan 8.230 nan 0.000 0.438 420 H N -0.518 118.657 119.070 0.175 0.000 2.321 420 H HA -0.179 4.377 4.556 -0.000 0.000 0.300 420 H C 2.087 177.560 175.328 0.243 0.000 1.087 420 H CA 1.261 57.420 56.048 0.185 0.000 1.319 420 H CB 0.190 30.048 29.762 0.160 0.000 1.379 420 H HN 0.424 nan 8.280 nan 0.000 0.501 421 E N 0.364 120.810 120.200 0.409 0.000 2.085 421 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 421 E C 1.943 178.807 176.600 0.440 0.000 0.994 421 E CA 1.068 57.738 56.400 0.450 0.000 0.801 421 E CB -0.152 29.743 29.700 0.325 0.000 0.743 421 E HN 0.444 nan 8.360 nan 0.000 0.453 422 Y N 1.540 121.977 120.300 0.230 0.000 2.181 422 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 422 Y C 2.143 178.102 175.900 0.099 0.000 1.146 422 Y CA 1.622 59.827 58.100 0.175 0.000 1.164 422 Y CB 0.084 38.649 38.460 0.175 0.000 0.982 422 Y HN -0.150 nan 8.280 nan 0.000 0.515 423 R N -0.696 119.904 120.500 0.167 0.000 2.092 423 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 423 R C 2.547 178.716 176.300 -0.217 0.000 1.119 423 R CA 0.972 57.057 56.100 -0.025 0.000 0.970 423 R CB -0.831 29.512 30.300 0.070 0.000 0.864 423 R HN 0.501 nan 8.270 nan 0.000 0.440 424 G N 0.851 109.536 108.800 -0.192 0.000 2.418 424 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 424 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 424 G C 1.547 175.724 174.900 -1.205 0.000 1.158 424 G CA 0.798 45.492 45.100 -0.676 0.000 0.771 424 G HN 0.395 nan 8.290 nan 0.000 0.545 425 A N 1.190 123.515 122.820 -0.824 0.000 1.933 425 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 425 A C 2.813 180.107 177.584 -0.484 0.000 1.175 425 A CA 2.244 53.850 52.037 -0.718 0.000 0.628 425 A CB -0.754 18.141 19.000 -0.175 0.000 0.814 425 A HN 0.777 nan 8.150 nan 0.000 0.444 426 A N -0.077 122.466 122.820 -0.460 0.000 1.902 426 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 426 A C 2.518 179.839 177.584 -0.439 0.000 1.181 426 A CA 2.160 53.912 52.037 -0.475 0.000 0.623 426 A CB -1.056 17.494 19.000 -0.750 0.000 0.818 426 A HN 1.090 nan 8.150 nan 0.000 0.443 427 A N -0.554 121.993 122.820 -0.456 0.000 1.902 427 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 427 A C 2.144 179.552 177.584 -0.293 0.000 1.181 427 A CA 1.780 53.600 52.037 -0.362 0.000 0.623 427 A CB -0.621 18.165 19.000 -0.357 0.000 0.818 427 A HN 0.705 nan 8.150 nan 0.000 0.443 428 L N -0.665 120.337 121.223 -0.369 0.000 1.994 428 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 428 L C 2.285 179.123 176.870 -0.053 0.000 1.071 428 L CA 2.252 56.989 54.840 -0.171 0.000 0.745 428 L CB -0.704 41.265 42.059 -0.150 0.000 0.892 428 L HN 0.361 nan 8.230 nan 0.000 0.431 429 L N -0.612 120.588 121.223 -0.038 0.000 2.012 429 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 429 L C 2.111 178.936 176.870 -0.074 0.000 1.073 429 L CA 1.963 56.803 54.840 0.000 0.000 0.748 429 L CB -0.563 41.522 42.059 0.044 0.000 0.891 429 L HN 0.320 nan 8.230 nan 0.000 0.431 430 L N -0.995 120.157 121.223 -0.120 0.000 2.591 430 L HA 0.020 4.360 4.340 -0.000 0.000 0.228 430 L C 1.788 178.598 176.870 -0.100 0.000 1.133 430 L CA 0.883 55.654 54.840 -0.114 0.000 0.880 430 L CB -0.723 41.244 42.059 -0.154 0.000 1.033 430 L HN 0.492 nan 8.230 nan 0.000 0.450 431 T N -3.771 110.725 114.554 -0.097 0.000 3.022 431 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 431 T C 0.719 175.379 174.700 -0.066 0.000 1.060 431 T CA -0.247 61.808 62.100 -0.074 0.000 1.013 431 T CB 0.019 68.846 68.868 -0.069 0.000 0.982 431 T HN -0.003 nan 8.240 nan 0.000 0.508 432 L N 2.727 123.903 121.223 -0.079 0.000 2.452 432 L HA 0.282 4.622 4.340 -0.000 0.000 0.267 432 L C -0.925 175.867 176.870 -0.130 0.000 1.188 432 L CA -1.906 52.873 54.840 -0.103 0.000 0.821 432 L CB 0.765 42.746 42.059 -0.130 0.000 1.102 432 L HN -0.008 nan 8.230 nan 0.000 0.470 433 P HA -0.037 nan 4.420 nan 0.000 0.236 433 P C 0.249 177.439 177.300 -0.182 0.000 1.177 433 P CA 0.493 63.514 63.100 -0.131 0.000 0.773 433 P CB 0.300 31.936 31.700 -0.106 0.000 0.878 434 M N 0.126 119.541 119.600 -0.309 0.000 2.240 434 M HA 0.066 4.546 4.480 -0.000 0.000 0.317 434 M C 0.683 176.824 176.300 -0.265 0.000 1.087 434 M CA 0.997 56.049 55.300 -0.414 0.000 1.176 434 M CB -0.714 31.260 32.600 -1.044 0.000 1.439 434 M HN -0.290 nan 8.290 nan 0.000 0.452 435 T N 4.044 118.490 114.554 -0.181 0.000 2.729 435 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 435 T C -2.366 172.309 174.700 -0.043 0.000 0.928 435 T CA -1.053 60.996 62.100 -0.086 0.000 1.045 435 T CB 0.087 68.960 68.868 0.010 0.000 0.902 435 T HN 0.381 nan 8.240 nan 0.000 0.500 436 P HA 0.502 nan 4.420 nan 0.000 0.284 436 P C -0.987 176.352 177.300 0.066 0.000 1.258 436 P CA -0.843 62.257 63.100 -0.000 0.000 0.824 436 P CB 1.264 32.952 31.700 -0.020 0.000 1.038 437 L N 2.625 123.873 121.223 0.043 0.000 2.386 437 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 437 L C -1.295 175.589 176.870 0.023 0.000 0.993 437 L CA -0.865 54.001 54.840 0.043 0.000 0.819 437 L CB 1.322 43.274 42.059 -0.179 0.000 1.294 437 L HN 0.198 nan 8.230 nan 0.000 0.414 438 L N 3.753 125.005 121.223 0.048 0.000 2.334 438 L HA 0.499 4.839 4.340 -0.000 0.000 0.273 438 L C -0.939 175.857 176.870 -0.124 0.000 1.013 438 L CA -0.619 54.228 54.840 0.011 0.000 0.816 438 L CB 1.925 44.025 42.059 0.070 0.000 1.278 438 L HN 0.500 nan 8.230 nan 0.000 0.431 439 F N 1.919 121.696 119.950 -0.288 0.000 2.399 439 F HA 0.274 4.801 4.527 -0.000 0.000 0.334 439 F C 0.365 175.815 175.800 -0.583 0.000 1.097 439 F CA -0.754 57.011 58.000 -0.393 0.000 1.076 439 F CB 1.227 40.062 39.000 -0.274 0.000 1.162 439 F HN 0.534 nan 8.300 nan 0.000 0.495 440 Q N 3.758 122.682 119.800 -1.459 0.000 2.398 440 Q HA 0.254 4.594 4.340 -0.000 0.000 0.329 440 Q C 0.813 176.394 176.000 -0.699 0.000 1.079 440 Q CA 0.716 55.905 55.803 -1.024 0.000 1.041 440 Q CB -0.099 28.254 28.738 -0.641 0.000 1.084 440 Q HN 1.183 nan 8.270 nan 0.000 0.386 441 G N 2.637 111.006 108.800 -0.718 0.000 2.253 441 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.251 441 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.251 441 G C 0.808 175.144 174.900 -0.939 0.000 0.998 441 G CA 0.565 44.836 45.100 -1.382 0.000 0.621 441 G HN 0.888 nan 8.290 nan 0.000 0.524 442 Q N 0.744 120.274 119.800 -0.449 0.000 2.291 442 Q HA -0.010 4.330 4.340 -0.000 0.000 0.205 442 Q C 2.015 177.763 176.000 -0.420 0.000 0.970 442 Q CA 1.743 57.428 55.803 -0.198 0.000 0.876 442 Q CB -0.318 28.425 28.738 0.009 0.000 0.935 442 Q HN 0.624 nan 8.270 nan 0.000 0.455 443 E N 0.964 120.799 120.200 -0.609 0.000 2.338 443 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 443 E C 0.836 177.308 176.600 -0.214 0.000 1.007 443 E CA 0.961 56.813 56.400 -0.913 0.000 0.849 443 E CB -0.324 29.144 29.700 -0.386 0.000 0.774 443 E HN 0.845 nan 8.360 nan 0.000 0.506 444 W N -0.129 121.121 121.300 -0.082 0.000 2.991 444 W HA 0.717 5.377 4.660 0.000 0.000 0.391 444 W C 0.242 176.832 176.519 0.119 0.000 1.054 444 W CA -0.581 56.794 57.345 0.051 0.000 1.856 444 W CB -0.047 29.436 29.460 0.038 0.000 1.132 444 W HN 0.135 nan 8.180 nan 0.000 0.601 445 A N 0.949 123.778 122.820 0.015 0.000 2.519 445 A HA 0.095 4.414 4.320 -0.000 0.000 0.297 445 A C 1.030 178.612 177.584 -0.005 0.000 1.472 445 A CA 0.685 52.531 52.037 -0.318 0.000 0.739 445 A CB -1.893 16.820 19.000 -0.478 0.000 1.096 445 A HN 1.425 nan 8.150 nan 0.000 0.414 446 A N 0.784 123.501 122.820 -0.172 0.000 2.555 446 A HA 0.478 4.798 4.320 -0.000 0.000 0.233 446 A C 1.576 179.314 177.584 0.256 0.000 1.060 446 A CA 0.756 52.753 52.037 -0.066 0.000 0.759 446 A CB 0.002 18.776 19.000 -0.376 0.000 0.995 446 A HN 2.078 nan 8.150 nan 0.000 0.506 447 S N 0.608 116.446 115.700 0.231 0.000 2.527 447 S HA 0.054 4.524 4.470 -0.000 0.000 0.222 447 S C 0.768 175.441 174.600 0.120 0.000 0.985 447 S CA 0.619 58.954 58.200 0.224 0.000 0.921 447 S CB -0.709 62.611 63.200 0.199 0.000 0.772 447 S HN 1.162 nan 8.310 nan 0.000 0.529 448 T N 1.547 116.160 114.554 0.100 0.000 2.875 448 T HA 0.597 4.947 4.350 -0.000 0.000 0.284 448 T C -2.705 172.062 174.700 0.111 0.000 0.995 448 T CA -2.155 59.997 62.100 0.088 0.000 1.060 448 T CB 1.426 70.344 68.868 0.082 0.000 0.967 448 T HN 0.055 nan 8.240 nan 0.000 0.476 449 P HA 0.330 nan 4.420 nan 0.000 0.277 449 P C -1.192 176.271 177.300 0.272 0.000 1.271 449 P CA -0.672 62.513 63.100 0.142 0.000 0.795 449 P CB 0.529 32.286 31.700 0.095 0.000 1.101 450 F N 0.457 120.492 119.950 0.140 0.000 2.513 450 F HA 0.333 4.860 4.527 -0.000 0.000 0.358 450 F C -0.055 175.917 175.800 0.287 0.000 1.118 450 F CA -0.435 57.695 58.000 0.217 0.000 1.037 450 F CB 1.061 40.141 39.000 0.134 0.000 1.276 450 F HN 0.189 nan 8.300 nan 0.000 0.446 451 Q N 3.754 123.567 119.800 0.021 0.000 2.215 451 Q HA 0.318 4.658 4.340 -0.000 0.000 0.256 451 Q C -1.103 175.035 176.000 0.230 0.000 0.972 451 Q CA -1.122 54.783 55.803 0.170 0.000 0.889 451 Q CB 2.175 31.012 28.738 0.166 0.000 1.281 451 Q HN 0.617 nan 8.270 nan 0.000 0.456 452 F N 3.106 123.099 119.950 0.072 0.000 2.506 452 F HA 0.271 4.798 4.527 0.000 0.000 0.371 452 F C -1.041 174.602 175.800 -0.260 0.000 1.078 452 F CA -0.498 57.251 58.000 -0.420 0.000 1.195 452 F CB 0.024 38.699 39.000 -0.542 0.000 1.099 452 F HN 0.359 nan 8.300 nan 0.000 0.548 453 F N 3.062 122.324 119.950 -1.147 0.000 2.588 453 F HA 0.840 5.367 4.527 0.000 0.000 0.314 453 F C -0.937 174.315 175.800 -0.912 0.000 1.069 453 F CA -0.931 56.643 58.000 -0.710 0.000 0.931 453 F CB 1.231 40.116 39.000 -0.190 0.000 1.260 453 F HN 0.435 nan 8.300 nan 0.000 0.465 454 S N 0.028 115.542 115.700 -0.310 0.000 2.656 454 S HA 0.619 5.088 4.470 -0.000 0.000 0.273 454 S C -1.728 172.813 174.600 -0.098 0.000 1.168 454 S CA -0.641 57.406 58.200 -0.254 0.000 0.817 454 S CB 1.964 65.035 63.200 -0.215 0.000 1.146 454 S HN 0.849 nan 8.310 nan 0.000 0.475 455 D N -0.217 120.090 120.400 -0.155 0.000 3.100 455 D HA 0.250 4.890 4.640 -0.000 0.000 0.350 455 D C -0.808 175.425 176.300 -0.113 0.000 1.310 455 D CA -0.175 53.775 54.000 -0.083 0.000 0.741 455 D CB -0.083 40.687 40.800 -0.049 0.000 1.248 455 D HN 0.548 nan 8.370 nan 0.000 0.527 456 H N 0.154 119.272 119.070 0.080 0.000 2.679 456 H HA 0.571 5.128 4.556 0.000 0.000 0.369 456 H C 0.388 175.762 175.328 0.077 0.000 1.178 456 H CA 0.049 56.153 56.048 0.093 0.000 1.419 456 H CB 1.277 31.091 29.762 0.086 0.000 1.458 456 H HN 0.303 nan 8.280 nan 0.000 0.605 457 A N 1.066 124.027 122.820 0.235 0.000 2.286 457 A HA 0.518 4.838 4.320 -0.000 0.000 0.286 457 A C 1.097 178.746 177.584 0.109 0.000 1.097 457 A CA 0.294 52.415 52.037 0.141 0.000 0.821 457 A CB 0.056 19.133 19.000 0.128 0.000 1.076 457 A HN 0.912 nan 8.150 nan 0.000 0.490 458 G N 0.904 109.746 108.800 0.070 0.000 2.634 458 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.309 458 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.309 458 G C 0.718 175.644 174.900 0.043 0.000 1.265 458 G CA 1.028 46.156 45.100 0.046 0.000 0.998 458 G HN 0.850 nan 8.290 nan 0.000 0.551 459 E N -0.254 119.962 120.200 0.026 0.000 2.106 459 E HA 0.005 4.355 4.350 -0.000 0.000 0.192 459 E C 2.618 179.229 176.600 0.018 0.000 0.984 459 E CA 1.064 57.475 56.400 0.017 0.000 0.806 459 E CB -0.101 29.600 29.700 0.002 0.000 0.750 459 E HN 0.364 nan 8.360 nan 0.000 0.458 460 L N 0.811 122.044 121.223 0.017 0.000 2.012 460 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 460 L C 2.183 179.082 176.870 0.048 0.000 1.073 460 L CA 2.248 57.087 54.840 -0.003 0.000 0.748 460 L CB -0.913 41.115 42.059 -0.050 0.000 0.891 460 L HN 0.117 nan 8.230 nan 0.000 0.431 461 G N -1.497 107.368 108.800 0.109 0.000 2.440 461 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 461 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 461 G C 1.442 176.396 174.900 0.091 0.000 1.154 461 G CA 0.822 46.006 45.100 0.141 0.000 0.767 461 G HN 0.569 nan 8.290 nan 0.000 0.552 462 Q N 0.198 120.036 119.800 0.062 0.000 2.124 462 Q HA 0.023 4.363 4.340 -0.000 0.000 0.202 462 Q C 2.940 178.964 176.000 0.040 0.000 0.977 462 Q CA 1.201 57.032 55.803 0.047 0.000 0.850 462 Q CB -0.247 28.511 28.738 0.033 0.000 0.901 462 Q HN 0.492 nan 8.270 nan 0.000 0.429 463 A N 0.286 123.125 122.820 0.030 0.000 1.969 463 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 463 A C 2.290 179.891 177.584 0.028 0.000 1.169 463 A CA 0.922 52.968 52.037 0.016 0.000 0.635 463 A CB -0.401 18.597 19.000 -0.004 0.000 0.810 463 A HN 0.194 nan 8.150 nan 0.000 0.445 464 V N -0.175 119.773 119.914 0.058 0.000 2.307 464 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 464 V C 2.776 178.925 176.094 0.092 0.000 1.045 464 V CA 2.330 64.686 62.300 0.092 0.000 1.024 464 V CB -0.829 31.095 31.823 0.169 0.000 0.651 464 V HN 0.552 nan 8.190 nan 0.000 0.449 465 S N -0.401 115.352 115.700 0.087 0.000 2.368 465 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 465 S C 1.924 176.563 174.600 0.064 0.000 1.030 465 S CA 1.667 59.917 58.200 0.083 0.000 0.999 465 S CB -0.291 62.952 63.200 0.071 0.000 0.844 465 S HN 0.690 nan 8.310 nan 0.000 0.459 466 E N 0.662 120.888 120.200 0.044 0.000 2.077 466 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 466 E C 2.392 179.000 176.600 0.015 0.000 0.989 466 E CA 0.893 57.309 56.400 0.027 0.000 0.800 466 E CB -0.426 29.282 29.700 0.014 0.000 0.746 466 E HN 0.562 nan 8.360 nan 0.000 0.452 467 G N 1.102 109.905 108.800 0.005 0.000 2.422 467 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 467 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 467 G C 1.687 176.568 174.900 -0.033 0.000 1.146 467 G CA 0.752 45.835 45.100 -0.028 0.000 0.769 467 G HN 0.045 nan 8.290 nan 0.000 0.547 468 R N 0.598 121.114 120.500 0.026 0.000 2.090 468 R HA 0.101 4.441 4.340 -0.000 0.000 0.228 468 R C 2.400 178.787 176.300 0.145 0.000 1.110 468 R CA 1.545 57.699 56.100 0.090 0.000 0.973 468 R CB -0.420 29.982 30.300 0.171 0.000 0.869 468 R HN 0.355 nan 8.270 nan 0.000 0.440 469 K N 0.284 120.746 120.400 0.102 0.000 2.032 469 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 469 K C 1.704 178.346 176.600 0.069 0.000 1.048 469 K CA 1.785 58.131 56.287 0.099 0.000 0.927 469 K CB 0.018 32.556 32.500 0.064 0.000 0.712 469 K HN 0.093 nan 8.250 nan 0.000 0.441 470 K N 0.510 120.918 120.400 0.013 0.000 2.057 470 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 470 K C 2.042 178.595 176.600 -0.078 0.000 1.050 470 K CA 1.781 58.053 56.287 -0.025 0.000 0.935 470 K CB -0.065 32.409 32.500 -0.043 0.000 0.715 470 K HN 0.395 nan 8.250 nan 0.000 0.439 471 E N 0.243 120.341 120.200 -0.171 0.000 2.209 471 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 471 E C 0.297 176.603 176.600 -0.489 0.000 0.993 471 E CA 0.808 56.976 56.400 -0.387 0.000 0.819 471 E CB -0.134 29.221 29.700 -0.575 0.000 0.745 471 E HN 0.123 nan 8.360 nan 0.000 0.477 483 V N 3.224 123.140 119.914 0.004 0.000 2.508 483 V HA 0.284 4.404 4.120 -0.000 0.000 0.281 483 V C -1.574 174.537 176.094 0.029 0.000 1.041 483 V CA -0.769 61.526 62.300 -0.008 0.000 1.016 483 V CB 0.747 32.585 31.823 0.025 0.000 0.984 483 V HN 0.363 nan 8.190 nan 0.000 0.478 484 P HA 0.064 nan 4.420 nan 0.000 0.267 484 P C -0.553 176.797 177.300 0.083 0.000 1.205 484 P CA -0.241 62.892 63.100 0.055 0.000 0.765 484 P CB 0.571 32.306 31.700 0.060 0.000 0.828 485 D N 4.979 125.426 120.400 0.079 0.000 2.382 485 D HA 0.021 4.661 4.640 -0.000 0.000 0.259 485 D C -1.251 175.106 176.300 0.096 0.000 1.224 485 D CA -2.030 52.023 54.000 0.088 0.000 0.894 485 D CB 0.666 41.508 40.800 0.071 0.000 1.127 485 D HN 0.165 nan 8.370 nan 0.000 0.487 486 P HA -0.146 nan 4.420 nan 0.000 0.219 486 P C 0.940 178.264 177.300 0.041 0.000 1.146 486 P CA 0.963 64.102 63.100 0.066 0.000 0.808 486 P CB 0.343 32.111 31.700 0.113 0.000 0.779 487 Q N -0.761 119.077 119.800 0.064 0.000 2.451 487 Q HA 0.143 4.483 4.340 -0.000 0.000 0.206 487 Q C 0.927 176.963 176.000 0.059 0.000 0.947 487 Q CA 0.159 55.996 55.803 0.056 0.000 0.937 487 Q CB -0.130 28.649 28.738 0.068 0.000 1.025 487 Q HN 0.165 nan 8.270 nan 0.000 0.511 488 A N 1.079 123.940 122.820 0.070 0.000 2.401 488 A HA 0.071 4.390 4.320 -0.000 0.000 0.259 488 A C 0.912 178.547 177.584 0.085 0.000 1.103 488 A CA -0.220 51.859 52.037 0.070 0.000 0.789 488 A CB 0.427 19.467 19.000 0.066 0.000 1.035 488 A HN 0.184 nan 8.150 nan 0.000 0.491 489 E N 0.904 121.154 120.200 0.084 0.000 2.130 489 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 489 E C 1.702 178.375 176.600 0.123 0.000 0.998 489 E CA 1.725 58.197 56.400 0.119 0.000 0.806 489 E CB 0.047 29.808 29.700 0.103 0.000 0.738 489 E HN 0.825 nan 8.360 nan 0.000 0.459 490 Q N 0.244 120.091 119.800 0.079 0.000 2.226 490 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 490 Q C 1.887 177.918 176.000 0.052 0.000 0.975 490 Q CA 1.650 57.484 55.803 0.053 0.000 0.866 490 Q CB -0.205 28.559 28.738 0.043 0.000 0.915 490 Q HN 0.144 nan 8.270 nan 0.000 0.440 491 T N 0.111 114.716 114.554 0.085 0.000 2.821 491 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 491 T C 1.200 175.957 174.700 0.095 0.000 1.046 491 T CA 1.129 63.293 62.100 0.107 0.000 1.139 491 T CB -0.431 68.522 68.868 0.142 0.000 0.871 491 T HN 0.374 nan 8.240 nan 0.000 0.454 492 F N 1.970 121.813 119.950 -0.178 0.000 2.075 492 F HA 0.034 4.561 4.527 -0.000 0.000 0.297 492 F C 1.876 177.494 175.800 -0.304 0.000 1.113 492 F CA 1.031 58.688 58.000 -0.572 0.000 1.218 492 F CB -0.673 38.003 39.000 -0.539 0.000 0.984 492 F HN 0.036 nan 8.300 nan 0.000 0.472 493 L N 0.212 121.262 121.223 -0.290 0.000 2.083 493 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 493 L C 2.250 179.006 176.870 -0.190 0.000 1.083 493 L CA 1.110 55.755 54.840 -0.326 0.000 0.752 493 L CB -0.997 40.983 42.059 -0.132 0.000 0.899 493 L HN 0.166 nan 8.230 nan 0.000 0.433 494 N N -0.029 118.619 118.700 -0.087 0.000 2.096 494 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 494 N C 1.846 177.354 175.510 -0.004 0.000 1.017 494 N CA 1.829 54.867 53.050 -0.020 0.000 0.870 494 N CB -0.290 38.213 38.487 0.026 0.000 1.024 494 N HN 0.200 nan 8.380 nan 0.000 0.434 495 S N 0.045 115.727 115.700 -0.030 0.000 2.558 495 S HA 0.086 4.556 4.470 -0.000 0.000 0.217 495 S C 0.413 175.077 174.600 0.106 0.000 0.975 495 S CA -0.013 58.244 58.200 0.094 0.000 0.912 495 S CB 0.406 63.682 63.200 0.127 0.000 0.776 495 S HN 0.181 nan 8.310 nan 0.000 0.526 496 K N 2.141 122.507 120.400 -0.058 0.000 2.448 496 K HA 0.126 4.445 4.320 -0.000 0.000 0.278 496 K C -0.018 176.602 176.600 0.033 0.000 1.009 496 K CA 0.099 56.369 56.287 -0.028 0.000 0.995 496 K CB 0.363 32.789 32.500 -0.123 0.000 0.917 496 K HN 0.289 nan 8.250 nan 0.000 0.481 497 L N 2.649 123.901 121.223 0.048 0.000 2.456 497 L HA 0.000 4.340 4.340 -0.000 0.000 0.272 497 L C 1.001 177.784 176.870 -0.144 0.000 1.189 497 L CA -0.105 54.681 54.840 -0.090 0.000 0.846 497 L CB 0.052 41.938 42.059 -0.289 0.000 1.111 497 L HN 0.514 nan 8.230 nan 0.000 0.475 498 N N 2.181 120.797 118.700 -0.140 0.000 2.485 498 N HA 0.072 4.811 4.740 -0.000 0.000 0.243 498 N C -0.014 175.290 175.510 -0.342 0.000 0.987 498 N CA -0.268 52.699 53.050 -0.139 0.000 0.940 498 N CB 0.701 39.142 38.487 -0.076 0.000 1.122 498 N HN 0.477 nan 8.380 nan 0.000 0.509 499 W N 2.584 123.765 121.300 -0.198 0.000 3.180 499 W HA 0.232 4.892 4.660 -0.000 0.000 0.254 499 W C 1.772 178.040 176.519 -0.418 0.000 1.318 499 W CA -0.109 57.004 57.345 -0.387 0.000 1.608 499 W CB 0.382 29.657 29.460 -0.308 0.000 1.124 499 W HN 0.723 nan 8.180 nan 0.000 0.694 500 A N 0.589 123.316 122.820 -0.155 0.000 1.943 500 A HA -0.117 4.203 4.320 -0.000 0.000 0.213 500 A C 1.897 179.327 177.584 -0.257 0.000 1.181 500 A CA 1.282 53.223 52.037 -0.160 0.000 0.653 500 A CB -0.549 18.400 19.000 -0.085 0.000 0.833 500 A HN 0.429 nan 8.150 nan 0.000 0.451 501 E N 1.070 121.057 120.200 -0.356 0.000 2.268 501 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 501 E C 1.831 178.175 176.600 -0.428 0.000 0.995 501 E CA 1.007 57.197 56.400 -0.351 0.000 0.836 501 E CB -0.490 28.949 29.700 -0.435 0.000 0.763 501 E HN 0.726 nan 8.360 nan 0.000 0.491 502 R N 1.269 121.318 120.500 -0.752 0.000 2.285 502 R HA -0.079 4.261 4.340 -0.000 0.000 0.213 502 R C 0.938 177.122 176.300 -0.193 0.000 1.068 502 R CA 1.378 57.120 56.100 -0.596 0.000 1.004 502 R CB -0.248 29.456 30.300 -0.993 0.000 0.873 502 R HN 0.235 nan 8.270 nan 0.000 0.467 503 E N 0.829 120.929 120.200 -0.165 0.000 2.476 503 E HA 0.149 4.499 4.350 -0.000 0.000 0.191 503 E C 0.233 176.831 176.600 -0.004 0.000 1.064 503 E CA 0.174 56.537 56.400 -0.062 0.000 0.866 503 E CB 0.849 30.508 29.700 -0.069 0.000 0.952 503 E HN 0.536 nan 8.360 nan 0.000 0.492 504 G N -0.691 108.128 108.800 0.032 0.000 2.692 504 G HA2 0.508 4.468 3.960 -0.000 0.000 0.291 504 G HA3 0.508 4.468 3.960 -0.000 0.000 0.291 504 G C 0.139 175.100 174.900 0.101 0.000 1.423 504 G CA -0.284 44.854 45.100 0.062 0.000 0.843 504 G HN 0.157 nan 8.290 nan 0.000 0.486 505 G N 0.217 109.057 108.800 0.067 0.000 2.582 505 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.288 505 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.288 505 G C 0.910 175.832 174.900 0.037 0.000 1.247 505 G CA 0.739 45.865 45.100 0.044 0.000 0.972 505 G HN 0.753 nan 8.290 nan 0.000 0.557 506 E N 0.404 120.582 120.200 -0.038 0.000 2.274 506 E HA -0.047 4.303 4.350 -0.000 0.000 0.194 506 E C 2.093 178.686 176.600 -0.012 0.000 0.996 506 E CA 1.127 57.503 56.400 -0.039 0.000 0.840 506 E CB -0.252 29.397 29.700 -0.086 0.000 0.772 506 E HN 0.652 nan 8.360 nan 0.000 0.491 507 H N 0.546 119.684 119.070 0.114 0.000 2.326 507 H HA 0.005 4.561 4.556 -0.000 0.000 0.301 507 H C 2.049 177.473 175.328 0.159 0.000 1.081 507 H CA 1.414 57.562 56.048 0.167 0.000 1.334 507 H CB -0.223 29.628 29.762 0.149 0.000 1.385 507 H HN 0.165 nan 8.280 nan 0.000 0.504 508 A N 1.121 124.072 122.820 0.218 0.000 1.933 508 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 508 A C 2.507 180.184 177.584 0.156 0.000 1.175 508 A CA 1.490 53.621 52.037 0.157 0.000 0.628 508 A CB -0.459 18.601 19.000 0.100 0.000 0.814 508 A HN 0.279 nan 8.150 nan 0.000 0.444 509 R N -0.901 119.682 120.500 0.138 0.000 2.092 509 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 509 R C 2.071 178.471 176.300 0.167 0.000 1.119 509 R CA 1.834 58.011 56.100 0.127 0.000 0.970 509 R CB -0.395 29.966 30.300 0.102 0.000 0.864 509 R HN 0.497 nan 8.270 nan 0.000 0.440 510 T N 1.323 116.004 114.554 0.211 0.000 2.777 510 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 510 T C 1.549 176.458 174.700 0.348 0.000 1.040 510 T CA 1.056 63.329 62.100 0.288 0.000 1.141 510 T CB -0.171 68.884 68.868 0.312 0.000 0.868 510 T HN 0.126 nan 8.240 nan 0.000 0.444 511 L N 1.552 122.960 121.223 0.310 0.000 2.083 511 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 511 L C 2.468 179.493 176.870 0.258 0.000 1.083 511 L CA 1.693 56.720 54.840 0.310 0.000 0.752 511 L CB -0.607 41.642 42.059 0.316 0.000 0.899 511 L HN 0.066 nan 8.230 nan 0.000 0.433 512 R N -0.821 119.797 120.500 0.197 0.000 2.083 512 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 512 R C 2.307 178.688 176.300 0.135 0.000 1.137 512 R CA 2.038 58.224 56.100 0.144 0.000 0.951 512 R CB -0.538 29.829 30.300 0.111 0.000 0.851 512 R HN 0.432 nan 8.270 nan 0.000 0.434 513 L N 0.084 121.395 121.223 0.147 0.000 2.017 513 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 513 L C 1.800 178.706 176.870 0.061 0.000 1.073 513 L CA 1.774 56.663 54.840 0.082 0.000 0.745 513 L CB -0.687 41.406 42.059 0.058 0.000 0.894 513 L HN 0.194 nan 8.230 nan 0.000 0.432 514 Y N 0.034 120.362 120.300 0.047 0.000 2.181 514 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 514 Y C 2.748 178.667 175.900 0.031 0.000 1.146 514 Y CA 1.853 59.976 58.100 0.039 0.000 1.164 514 Y CB -0.288 38.220 38.460 0.080 0.000 0.982 514 Y HN 0.159 nan 8.280 nan 0.000 0.515 515 R N -0.119 120.492 120.500 0.185 0.000 2.081 515 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 515 R C 1.689 178.019 176.300 0.051 0.000 1.131 515 R CA 1.659 57.817 56.100 0.098 0.000 0.960 515 R CB -0.401 29.950 30.300 0.085 0.000 0.856 515 R HN 0.342 nan 8.270 nan 0.000 0.436 516 D N 0.743 121.168 120.400 0.041 0.000 2.117 516 D HA -0.124 4.515 4.640 -0.000 0.000 0.197 516 D C 2.026 178.316 176.300 -0.016 0.000 0.987 516 D CA 1.036 55.044 54.000 0.012 0.000 0.829 516 D CB -0.170 40.637 40.800 0.010 0.000 0.961 516 D HN 0.161 nan 8.370 nan 0.000 0.460 517 L N 0.173 121.367 121.223 -0.047 0.000 2.046 517 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 517 L C 2.551 179.390 176.870 -0.052 0.000 1.077 517 L CA 0.708 55.496 54.840 -0.086 0.000 0.747 517 L CB -0.338 41.607 42.059 -0.189 0.000 0.896 517 L HN 0.025 nan 8.230 nan 0.000 0.432 518 L N -0.687 120.525 121.223 -0.018 0.000 2.093 518 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 518 L C 2.797 179.670 176.870 0.004 0.000 1.085 518 L CA 1.041 55.882 54.840 0.002 0.000 0.755 518 L CB -0.452 41.628 42.059 0.035 0.000 0.904 518 L HN 0.232 nan 8.230 nan 0.000 0.435 519 R N 0.274 120.778 120.500 0.006 0.000 2.075 519 R HA -0.195 4.144 4.340 -0.000 0.000 0.232 519 R C 2.315 178.618 176.300 0.005 0.000 1.126 519 R CA 1.329 57.434 56.100 0.009 0.000 0.963 519 R CB -0.227 30.078 30.300 0.010 0.000 0.858 519 R HN 0.173 nan 8.270 nan 0.000 0.435 520 L N 1.314 122.532 121.223 -0.010 0.000 2.046 520 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 520 L C 2.486 179.348 176.870 -0.014 0.000 1.077 520 L CA 1.783 56.610 54.840 -0.021 0.000 0.747 520 L CB -0.524 41.514 42.059 -0.036 0.000 0.896 520 L HN 0.147 nan 8.230 nan 0.000 0.432 521 R N -0.716 119.779 120.500 -0.008 0.000 2.081 521 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 521 R C 2.549 178.893 176.300 0.072 0.000 1.131 521 R CA 1.660 57.767 56.100 0.011 0.000 0.960 521 R CB -0.230 30.063 30.300 -0.012 0.000 0.856 521 R HN 0.361 nan 8.270 nan 0.000 0.436 522 R N 0.243 120.781 120.500 0.062 0.000 2.090 522 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 522 R C 1.325 177.752 176.300 0.212 0.000 1.110 522 R CA 1.748 57.904 56.100 0.094 0.000 0.973 522 R CB 0.132 30.459 30.300 0.046 0.000 0.869 522 R HN 0.335 nan 8.270 nan 0.000 0.440 523 E N -0.208 120.065 120.200 0.122 0.000 2.340 523 E HA -0.015 4.335 4.350 -0.000 0.000 0.198 523 E C -0.252 176.307 176.600 -0.068 0.000 0.961 523 E CA -0.179 56.272 56.400 0.084 0.000 0.905 523 E CB 0.287 30.005 29.700 0.028 0.000 0.884 523 E HN 0.278 nan 8.360 nan 0.000 0.491 524 D N 2.075 122.389 120.400 -0.145 0.000 2.348 524 D HA 0.005 4.645 4.640 -0.000 0.000 0.253 524 D C -1.609 174.339 176.300 -0.586 0.000 1.161 524 D CA -1.807 52.044 54.000 -0.248 0.000 0.876 524 D CB 1.497 42.207 40.800 -0.150 0.000 1.160 524 D HN -0.082 nan 8.370 nan 0.000 0.459 525 P HA -0.073 nan 4.420 nan 0.000 0.229 525 P C 1.392 178.486 177.300 -0.343 0.000 1.160 525 P CA 0.289 63.049 63.100 -0.567 0.000 0.777 525 P CB 0.566 32.128 31.700 -0.229 0.000 0.814 526 V N 0.150 119.928 119.914 -0.227 0.000 2.500 526 V HA -0.076 4.044 4.120 -0.000 0.000 0.243 526 V C 2.595 178.632 176.094 -0.096 0.000 1.039 526 V CA 1.021 63.247 62.300 -0.123 0.000 1.053 526 V CB -0.999 30.768 31.823 -0.092 0.000 0.695 526 V HN -0.009 nan 8.190 nan 0.000 0.463 527 L N -0.354 120.799 121.223 -0.117 0.000 2.456 527 L HA -0.144 4.196 4.340 -0.000 0.000 0.224 527 L C 2.286 179.179 176.870 0.039 0.000 1.148 527 L CA 1.264 56.074 54.840 -0.050 0.000 0.825 527 L CB -0.918 41.112 42.059 -0.047 0.000 0.937 527 L HN 0.496 nan 8.230 nan 0.000 0.450 528 H N -0.593 118.451 119.070 -0.044 0.000 2.518 528 H HA -0.116 4.439 4.556 -0.000 0.000 0.292 528 H C 1.081 176.380 175.328 -0.048 0.000 1.068 528 H CA -0.232 55.789 56.048 -0.044 0.000 1.275 528 H CB -0.077 29.662 29.762 -0.038 0.000 1.375 528 H HN 0.328 nan 8.280 nan 0.000 0.563 529 N N 1.252 119.993 118.700 0.068 0.000 2.293 529 N HA -0.130 4.610 4.740 -0.000 0.000 0.253 529 N C 0.285 175.789 175.510 -0.010 0.000 1.248 529 N CA 0.403 53.461 53.050 0.013 0.000 0.845 529 N CB 0.525 39.002 38.487 -0.016 0.000 1.073 529 N HN 0.105 nan 8.380 nan 0.000 0.464 530 R N 1.926 122.413 120.500 -0.022 0.000 2.616 530 R HA 0.162 4.502 4.340 -0.000 0.000 0.427 530 R C -0.620 175.656 176.300 -0.040 0.000 1.030 530 R CA -0.152 55.924 56.100 -0.039 0.000 1.133 530 R CB 0.114 30.390 30.300 -0.039 0.000 1.444 530 R HN 0.690 nan 8.270 nan 0.000 0.578 531 Q N 0.100 119.877 119.800 -0.039 0.000 2.322 531 Q HA 0.397 4.736 4.340 -0.000 0.000 0.265 531 Q C 0.663 176.632 176.000 -0.050 0.000 0.985 531 Q CA -0.410 55.370 55.803 -0.038 0.000 0.849 531 Q CB 2.377 31.097 28.738 -0.030 0.000 1.274 531 Q HN -0.084 nan 8.270 nan 0.000 0.449 532 R N 1.344 121.810 120.500 -0.056 0.000 2.152 532 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 532 R C 1.675 177.941 176.300 -0.057 0.000 1.117 532 R CA 1.214 57.269 56.100 -0.075 0.000 0.981 532 R CB 0.174 30.422 30.300 -0.087 0.000 0.870 532 R HN 0.712 nan 8.270 nan 0.000 0.451 533 E N 0.892 121.067 120.200 -0.041 0.000 2.209 533 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 533 E C 0.768 177.349 176.600 -0.031 0.000 0.993 533 E CA 1.037 57.417 56.400 -0.032 0.000 0.819 533 E CB 0.139 29.824 29.700 -0.025 0.000 0.745 533 E HN 0.271 nan 8.360 nan 0.000 0.477 534 N N 0.223 118.901 118.700 -0.036 0.000 2.280 534 N HA 0.074 4.814 4.740 -0.000 0.000 0.192 534 N C -0.614 174.874 175.510 -0.038 0.000 1.109 534 N CA 0.068 53.096 53.050 -0.037 0.000 0.855 534 N CB 0.581 39.045 38.487 -0.037 0.000 0.974 534 N HN 0.127 nan 8.380 nan 0.000 0.482 535 L N 1.099 122.300 121.223 -0.037 0.000 2.313 535 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 535 L C -0.171 176.693 176.870 -0.010 0.000 1.013 535 L CA -0.256 54.566 54.840 -0.029 0.000 0.816 535 L CB 1.522 43.546 42.059 -0.059 0.000 1.236 535 L HN 0.026 nan 8.230 nan 0.000 0.419 536 T N 0.247 114.829 114.554 0.046 0.000 2.906 536 T HA 0.908 5.258 4.350 -0.000 0.000 0.295 536 T C -0.299 174.434 174.700 0.055 0.000 1.075 536 T CA -0.263 61.889 62.100 0.087 0.000 1.005 536 T CB 1.824 70.816 68.868 0.206 0.000 1.136 536 T HN 0.738 nan 8.240 nan 0.000 0.498 537 T N -1.787 112.626 114.554 -0.234 0.000 2.864 537 T HA 0.922 5.272 4.350 -0.000 0.000 0.299 537 T C -0.021 173.902 174.700 -1.294 0.000 1.166 537 T CA -0.331 61.365 62.100 -0.674 0.000 1.007 537 T CB 1.653 70.330 68.868 -0.318 0.000 1.219 537 T HN 1.510 nan 8.240 nan 0.000 0.506 538 G N 0.234 107.920 108.800 -1.857 0.000 2.490 538 G HA2 0.643 4.603 3.960 -0.000 0.000 0.308 538 G HA3 0.643 4.603 3.960 -0.000 0.000 0.308 538 G C -1.676 172.756 174.900 -0.779 0.000 1.286 538 G CA -0.595 43.775 45.100 -1.217 0.000 0.825 538 G HN 1.414 nan 8.290 nan 0.000 0.479 539 H N -0.677 118.225 119.070 -0.279 0.000 3.008 539 H HA 0.741 5.297 4.556 -0.000 0.000 0.354 539 H C -2.314 173.112 175.328 0.164 0.000 1.252 539 H CA -0.730 55.303 56.048 -0.025 0.000 1.117 539 H CB 2.537 32.269 29.762 -0.051 0.000 1.857 539 H HN 0.498 nan 8.280 nan 0.000 0.547 540 D N 0.600 121.029 120.400 0.049 0.000 2.402 540 D HA 0.382 5.022 4.640 -0.000 0.000 0.252 540 D C 1.035 177.382 176.300 0.078 0.000 1.294 540 D CA 1.131 55.117 54.000 -0.023 0.000 0.948 540 D CB 0.759 41.578 40.800 0.033 0.000 1.202 540 D HN 1.112 nan 8.370 nan 0.000 0.561 541 G N 4.428 113.304 108.800 0.127 0.000 2.591 541 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.298 541 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.298 541 G C 0.527 175.511 174.900 0.141 0.000 1.195 541 G CA 0.417 45.596 45.100 0.130 0.000 0.989 541 G HN 0.541 nan 8.290 nan 0.000 0.551 542 D N 0.673 121.105 120.400 0.052 0.000 2.325 542 D HA 0.287 4.927 4.640 -0.000 0.000 0.225 542 D C 0.684 176.971 176.300 -0.021 0.000 1.096 542 D CA 0.386 54.380 54.000 -0.010 0.000 0.844 542 D CB 0.511 41.279 40.800 -0.053 0.000 0.925 542 D HN 0.283 nan 8.370 nan 0.000 0.513 543 V N 2.234 122.182 119.914 0.056 0.000 2.364 543 V HA 0.154 4.274 4.120 -0.000 0.000 0.272 543 V C 0.123 176.308 176.094 0.152 0.000 1.036 543 V CA -0.876 61.478 62.300 0.091 0.000 0.880 543 V CB 1.545 33.440 31.823 0.120 0.000 0.991 543 V HN -0.009 nan 8.190 nan 0.000 0.460 544 L N 7.554 128.859 121.223 0.137 0.000 2.326 544 L HA 0.546 4.886 4.340 -0.000 0.000 0.278 544 L C -0.381 176.658 176.870 0.281 0.000 1.092 544 L CA 0.018 54.951 54.840 0.156 0.000 0.810 544 L CB 0.731 42.886 42.059 0.159 0.000 1.153 544 L HN 0.773 nan 8.230 nan 0.000 0.439 545 W N 4.856 126.263 121.300 0.177 0.000 2.761 545 W HA 0.759 5.419 4.660 0.000 0.000 0.340 545 W C -2.039 174.582 176.519 0.170 0.000 1.072 545 W CA -1.162 56.290 57.345 0.178 0.000 1.215 545 W CB 1.004 30.581 29.460 0.194 0.000 1.420 545 W HN 0.322 nan 8.180 nan 0.000 0.519 546 V N 3.739 123.941 119.914 0.480 0.000 2.524 546 V HA 0.427 4.547 4.120 -0.000 0.000 0.297 546 V C -0.328 175.966 176.094 0.333 0.000 1.035 546 V CA -0.770 61.710 62.300 0.301 0.000 0.867 546 V CB 1.566 33.481 31.823 0.154 0.000 1.004 546 V HN 0.670 nan 8.190 nan 0.000 0.426 547 R N 2.504 123.204 120.500 0.335 0.000 2.494 547 R HA 0.754 5.094 4.340 -0.000 0.000 0.305 547 R C -0.939 175.371 176.300 0.016 0.000 0.959 547 R CA -0.246 55.923 56.100 0.115 0.000 0.864 547 R CB 1.881 32.142 30.300 -0.065 0.000 1.159 547 R HN 0.720 nan 8.270 nan 0.000 0.446 548 T N 3.322 117.853 114.554 -0.039 0.000 2.824 548 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 548 T C -1.089 173.561 174.700 -0.083 0.000 0.993 548 T CA -0.502 61.567 62.100 -0.051 0.000 0.967 548 T CB 1.663 70.507 68.868 -0.040 0.000 0.960 548 T HN 0.262 nan 8.240 nan 0.000 0.441 549 V N 3.911 123.777 119.914 -0.081 0.000 2.483 549 V HA 0.747 4.866 4.120 -0.000 0.000 0.297 549 V C 0.318 176.377 176.094 -0.059 0.000 1.027 549 V CA -0.735 61.515 62.300 -0.084 0.000 0.855 549 V CB 1.662 33.423 31.823 -0.104 0.000 0.995 549 V HN 1.130 nan 8.190 nan 0.000 0.424 550 T N 0.832 115.355 114.554 -0.052 0.000 2.742 550 T HA 0.554 4.904 4.350 -0.000 0.000 0.282 550 T C 1.266 175.945 174.700 -0.036 0.000 1.025 550 T CA 0.116 62.193 62.100 -0.039 0.000 1.020 550 T CB 1.598 70.446 68.868 -0.032 0.000 1.317 550 T HN 0.675 nan 8.240 nan 0.000 0.538 551 G N -0.236 108.548 108.800 -0.027 0.000 2.479 551 G HA2 0.115 4.075 3.960 -0.000 0.000 0.220 551 G HA3 0.115 4.075 3.960 -0.000 0.000 0.220 551 G C 1.432 176.316 174.900 -0.027 0.000 1.115 551 G CA 0.760 45.845 45.100 -0.025 0.000 0.757 551 G HN 1.161 nan 8.290 nan 0.000 0.560 552 A N -0.776 122.025 122.820 -0.032 0.000 2.169 552 A HA 0.571 4.891 4.320 -0.000 0.000 0.212 552 A C 1.395 178.951 177.584 -0.046 0.000 1.153 552 A CA 1.497 53.511 52.037 -0.040 0.000 0.756 552 A CB -0.166 18.804 19.000 -0.051 0.000 0.813 552 A HN 1.582 nan 8.150 nan 0.000 0.471 553 G N -1.223 107.548 108.800 -0.047 0.000 2.278 553 G HA2 0.276 4.236 3.960 -0.000 0.000 0.265 553 G HA3 0.276 4.236 3.960 -0.000 0.000 0.265 553 G C -1.057 173.808 174.900 -0.059 0.000 1.329 553 G CA -0.124 44.947 45.100 -0.049 0.000 1.017 553 G HN 0.557 nan 8.290 nan 0.000 0.472 554 E N -0.097 120.066 120.200 -0.061 0.000 2.331 554 E HA 0.669 5.019 4.350 -0.000 0.000 0.275 554 E C -0.884 175.679 176.600 -0.062 0.000 0.895 554 E CA -0.961 55.393 56.400 -0.077 0.000 0.753 554 E CB 1.467 31.105 29.700 -0.102 0.000 1.216 554 E HN 0.488 nan 8.360 nan 0.000 0.434 555 R N 1.854 122.318 120.500 -0.061 0.000 2.750 555 R HA 0.615 4.955 4.340 -0.000 0.000 0.281 555 R C -1.177 175.116 176.300 -0.012 0.000 0.972 555 R CA -0.979 55.101 56.100 -0.033 0.000 0.912 555 R CB 2.050 32.331 30.300 -0.033 0.000 1.187 555 R HN 0.341 nan 8.270 nan 0.000 0.464 556 V N 3.157 123.090 119.914 0.032 0.000 2.577 556 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 556 V C -0.770 175.388 176.094 0.107 0.000 1.042 556 V CA -0.928 61.434 62.300 0.103 0.000 0.872 556 V CB 2.271 34.194 31.823 0.167 0.000 0.998 556 V HN 0.520 nan 8.190 nan 0.000 0.423 557 L N 6.086 127.392 121.223 0.138 0.000 2.275 557 L HA 0.638 4.978 4.340 -0.000 0.000 0.288 557 L C -0.744 176.247 176.870 0.203 0.000 1.046 557 L CA 0.223 55.132 54.840 0.115 0.000 0.805 557 L CB 0.981 43.086 42.059 0.076 0.000 1.193 557 L HN 0.550 nan 8.230 nan 0.000 0.426 558 L N 4.639 125.964 121.223 0.170 0.000 2.329 558 L HA 0.459 4.799 4.340 -0.000 0.000 0.279 558 L C -1.398 175.626 176.870 0.257 0.000 1.014 558 L CA -0.505 54.471 54.840 0.227 0.000 0.814 558 L CB 1.738 43.898 42.059 0.167 0.000 1.257 558 L HN 0.663 nan 8.230 nan 0.000 0.424 559 W N 4.138 125.477 121.300 0.065 0.000 2.756 559 W HA 0.318 4.978 4.660 -0.000 0.000 0.333 559 W C -0.673 175.872 176.519 0.044 0.000 1.025 559 W CA -1.362 56.002 57.345 0.032 0.000 1.246 559 W CB 1.299 30.776 29.460 0.028 0.000 1.358 559 W HN 0.344 nan 8.180 nan 0.000 0.444 560 N N 5.488 124.315 118.700 0.211 0.000 2.439 560 N HA 0.078 4.818 4.740 -0.000 0.000 0.243 560 N C 0.539 175.923 175.510 -0.209 0.000 1.088 560 N CA 0.079 53.135 53.050 0.009 0.000 0.940 560 N CB 0.738 39.273 38.487 0.080 0.000 1.180 560 N HN 0.436 nan 8.380 nan 0.000 0.505 561 L N 1.750 122.742 121.223 -0.385 0.000 2.478 561 L HA 0.219 4.559 4.340 -0.000 0.000 0.223 561 L C 1.475 178.216 176.870 -0.215 0.000 1.140 561 L CA 0.389 54.946 54.840 -0.471 0.000 0.842 561 L CB -1.592 40.145 42.059 -0.536 0.000 0.953 561 L HN 0.501 nan 8.230 nan 0.000 0.452 562 G N -0.595 108.133 108.800 -0.120 0.000 2.653 562 G HA2 0.119 4.079 3.960 -0.000 0.000 0.265 562 G HA3 0.119 4.079 3.960 -0.000 0.000 0.265 562 G C 0.499 175.383 174.900 -0.027 0.000 1.237 562 G CA -0.312 44.752 45.100 -0.060 0.000 0.946 562 G HN 0.292 nan 8.290 nan 0.000 0.522 563 Q N -0.598 119.195 119.800 -0.012 0.000 2.247 563 Q HA 0.105 4.445 4.340 -0.000 0.000 0.204 563 Q C -0.152 175.859 176.000 0.018 0.000 0.872 563 Q CA -0.162 55.644 55.803 0.005 0.000 0.951 563 Q CB 0.465 29.201 28.738 -0.004 0.000 1.099 563 Q HN 0.737 nan 8.270 nan 0.000 0.501 564 D N -0.783 119.629 120.400 0.019 0.000 2.569 564 D HA 0.212 4.852 4.640 -0.000 0.000 0.266 564 D C -0.239 176.087 176.300 0.043 0.000 1.164 564 D CA -0.551 53.465 54.000 0.027 0.000 1.071 564 D CB 0.704 41.515 40.800 0.018 0.000 1.183 564 D HN -0.329 nan 8.370 nan 0.000 0.613 565 T N 0.231 114.812 114.554 0.045 0.000 2.829 565 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 565 T C -0.152 174.578 174.700 0.050 0.000 0.990 565 T CA -0.776 61.359 62.100 0.058 0.000 1.028 565 T CB 0.913 69.815 68.868 0.057 0.000 0.951 565 T HN 0.146 nan 8.240 nan 0.000 0.460 566 R N 1.574 122.110 120.500 0.060 0.000 2.532 566 R HA 0.626 4.966 4.340 -0.000 0.000 0.297 566 R C -0.672 175.663 176.300 0.058 0.000 0.984 566 R CA -0.716 55.414 56.100 0.051 0.000 0.884 566 R CB 1.899 32.229 30.300 0.050 0.000 1.182 566 R HN 0.745 nan 8.270 nan 0.000 0.442 567 A N 2.570 125.416 122.820 0.043 0.000 2.401 567 A HA 0.230 4.550 4.320 -0.000 0.000 0.259 567 A C 1.364 178.968 177.584 0.033 0.000 1.103 567 A CA -0.464 51.598 52.037 0.040 0.000 0.789 567 A CB 0.581 19.597 19.000 0.026 0.000 1.035 567 A HN 0.543 nan 8.150 nan 0.000 0.491 568 V N 2.849 122.787 119.914 0.039 0.000 2.392 568 V HA -0.317 3.802 4.120 -0.000 0.000 0.249 568 V C 2.884 178.975 176.094 -0.006 0.000 1.059 568 V CA 2.628 64.943 62.300 0.024 0.000 1.051 568 V CB -1.186 30.658 31.823 0.034 0.000 0.658 568 V HN 1.010 nan 8.190 nan 0.000 0.455 569 A N -0.396 122.421 122.820 -0.005 0.000 2.076 569 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 569 A C 2.002 179.566 177.584 -0.034 0.000 1.160 569 A CA 1.817 53.841 52.037 -0.023 0.000 0.653 569 A CB -0.357 18.636 19.000 -0.013 0.000 0.801 569 A HN 0.677 nan 8.150 nan 0.000 0.455 570 E N -0.758 119.428 120.200 -0.022 0.000 2.481 570 E HA 0.187 4.537 4.350 -0.000 0.000 0.198 570 E C -0.543 176.037 176.600 -0.032 0.000 1.027 570 E CA -0.356 56.029 56.400 -0.025 0.000 0.900 570 E CB 0.590 30.284 29.700 -0.009 0.000 0.993 570 E HN 0.301 nan 8.360 nan 0.000 0.482 571 V N 2.564 122.454 119.914 -0.039 0.000 2.508 571 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 571 V C 0.347 176.378 176.094 -0.105 0.000 1.041 571 V CA -0.077 62.198 62.300 -0.042 0.000 1.016 571 V CB 0.821 32.632 31.823 -0.021 0.000 0.984 571 V HN 0.089 nan 8.190 nan 0.000 0.478 572 K N 6.103 126.448 120.400 -0.091 0.000 2.312 572 K HA 0.566 4.886 4.320 -0.000 0.000 0.287 572 K C -0.873 175.601 176.600 -0.210 0.000 1.062 572 K CA -0.101 56.107 56.287 -0.132 0.000 0.934 572 K CB 0.626 33.077 32.500 -0.082 0.000 1.027 572 K HN 0.494 nan 8.250 nan 0.000 0.478 573 L N 4.390 125.385 121.223 -0.379 0.000 2.388 573 L HA 0.387 4.727 4.340 -0.000 0.000 0.264 573 L C -1.608 174.914 176.870 -0.580 0.000 0.998 573 L CA -1.838 52.575 54.840 -0.712 0.000 0.817 573 L CB 2.157 43.427 42.059 -1.316 0.000 1.338 573 L HN 0.520 nan 8.230 nan 0.000 0.414 574 P HA 0.113 nan 4.420 nan 0.000 0.255 574 P C -0.858 176.399 177.300 -0.072 0.000 1.357 574 P CA 0.336 63.343 63.100 -0.155 0.000 0.839 574 P CB -0.276 31.470 31.700 0.076 0.000 1.356 575 F N -3.966 115.860 119.950 -0.207 0.000 2.745 575 F HA 0.560 5.087 4.527 -0.000 0.000 0.316 575 F C -0.644 175.055 175.800 -0.168 0.000 1.155 575 F CA -1.382 56.515 58.000 -0.171 0.000 0.937 575 F CB 0.125 39.005 39.000 -0.201 0.000 1.361 575 F HN -0.510 nan 8.300 nan 0.000 0.472 576 T N 2.212 116.825 114.554 0.098 0.000 2.779 576 T HA 0.339 4.689 4.350 -0.000 0.000 0.296 576 T C -0.243 174.520 174.700 0.105 0.000 0.938 576 T CA -0.280 61.829 62.100 0.014 0.000 1.119 576 T CB 1.017 69.903 68.868 0.030 0.000 0.891 576 T HN 0.697 nan 8.240 nan 0.000 0.526 577 V N 7.000 126.888 119.914 -0.043 0.000 2.655 577 V HA 0.190 4.310 4.120 -0.000 0.000 0.300 577 V C -1.921 174.208 176.094 0.057 0.000 1.044 577 V CA -1.740 60.578 62.300 0.031 0.000 1.095 577 V CB 0.666 32.447 31.823 -0.070 0.000 0.952 577 V HN 0.713 nan 8.190 nan 0.000 0.485 578 P HA 0.228 nan 4.420 nan 0.000 0.269 578 P C 0.086 177.401 177.300 0.024 0.000 1.215 578 P CA 0.042 63.165 63.100 0.038 0.000 0.780 578 P CB 0.422 32.141 31.700 0.031 0.000 0.898 579 R N 0.875 121.383 120.500 0.014 0.000 2.223 579 R HA 0.132 4.471 4.340 -0.000 0.000 0.198 579 R C 0.580 176.887 176.300 0.013 0.000 0.984 579 R CA 0.316 56.422 56.100 0.011 0.000 1.018 579 R CB 0.163 30.466 30.300 0.005 0.000 0.945 579 R HN 0.430 nan 8.270 nan 0.000 0.479 580 R N 1.308 121.815 120.500 0.011 0.000 2.368 580 R HA 0.233 4.573 4.340 -0.000 0.000 0.302 580 R C -0.570 175.739 176.300 0.015 0.000 1.002 580 R CA -0.586 55.520 56.100 0.010 0.000 0.929 580 R CB 1.297 31.598 30.300 0.002 0.000 1.073 580 R HN -0.031 nan 8.270 nan 0.000 0.464 581 L N 5.251 126.486 121.223 0.020 0.000 2.319 581 L HA 0.126 4.466 4.340 -0.000 0.000 0.280 581 L C 0.310 177.191 176.870 0.018 0.000 1.099 581 L CA 0.398 55.255 54.840 0.029 0.000 0.828 581 L CB 0.845 42.930 42.059 0.042 0.000 1.150 581 L HN 0.805 nan 8.230 nan 0.000 0.442 582 L N 5.656 126.887 121.223 0.015 0.000 2.445 582 L HA 0.274 4.614 4.340 -0.000 0.000 0.207 582 L C 0.040 176.914 176.870 0.008 0.000 1.053 582 L CA 0.279 55.121 54.840 0.003 0.000 0.841 582 L CB 0.388 42.441 42.059 -0.011 0.000 1.074 582 L HN 0.476 nan 8.230 nan 0.000 0.479 583 L N -0.861 120.369 121.223 0.012 0.000 2.513 583 L HA 0.473 4.813 4.340 -0.000 0.000 0.261 583 L C -1.465 175.429 176.870 0.040 0.000 0.945 583 L CA -0.496 54.354 54.840 0.016 0.000 0.848 583 L CB 2.292 44.337 42.059 -0.023 0.000 1.334 583 L HN -0.067 nan 8.230 nan 0.000 0.407 584 H N 1.880 120.935 119.070 -0.025 0.000 2.529 584 H HA 0.286 4.842 4.556 -0.000 0.000 0.348 584 H C 0.314 175.615 175.328 -0.045 0.000 1.079 584 H CA 0.328 56.360 56.048 -0.026 0.000 1.198 584 H CB 2.205 31.959 29.762 -0.014 0.000 1.521 584 H HN 0.852 nan 8.280 nan 0.000 0.514 585 T N 0.977 115.507 114.554 -0.040 0.000 2.977 585 T HA -0.066 4.284 4.350 -0.000 0.000 0.271 585 T C 0.628 175.374 174.700 0.077 0.000 1.105 585 T CA 0.940 63.034 62.100 -0.010 0.000 1.116 585 T CB 0.215 69.013 68.868 -0.118 0.000 0.878 585 T HN 0.472 nan 8.240 nan 0.000 0.509 586 E N 0.616 120.986 120.200 0.283 0.000 2.558 586 E HA 0.325 4.675 4.350 -0.000 0.000 0.205 586 E C 1.360 177.956 176.600 -0.006 0.000 1.006 586 E CA 0.266 56.697 56.400 0.052 0.000 0.961 586 E CB 0.271 29.920 29.700 -0.086 0.000 1.044 586 E HN 0.637 nan 8.360 nan 0.000 0.465 587 G N 2.466 111.295 108.800 0.049 0.000 2.153 587 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.252 587 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.252 587 G C 0.301 175.108 174.900 -0.156 0.000 0.994 587 G CA 0.228 45.310 45.100 -0.029 0.000 0.698 587 G HN 0.205 nan 8.290 nan 0.000 0.521 588 R N -0.191 120.034 120.500 -0.458 0.000 2.641 588 R HA 0.361 4.701 4.340 -0.000 0.000 0.269 588 R C 1.145 177.300 176.300 -0.241 0.000 1.074 588 R CA 0.205 56.030 56.100 -0.458 0.000 1.133 588 R CB 0.596 30.434 30.300 -0.769 0.000 1.029 588 R HN 0.445 nan 8.270 nan 0.000 0.488 589 E N 0.450 120.570 120.200 -0.134 0.000 2.250 589 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 589 E C -0.337 176.247 176.600 -0.027 0.000 0.986 589 E CA 0.654 57.020 56.400 -0.056 0.000 0.849 589 E CB 0.325 30.002 29.700 -0.038 0.000 0.797 589 E HN 0.467 nan 8.360 nan 0.000 0.482 590 D N 0.045 120.424 120.400 -0.035 0.000 2.326 590 D HA 0.210 4.850 4.640 -0.000 0.000 0.251 590 D C -0.095 176.238 176.300 0.055 0.000 1.023 590 D CA -0.431 53.573 54.000 0.006 0.000 0.966 590 D CB 1.386 42.188 40.800 0.002 0.000 1.156 590 D HN -0.064 nan 8.370 nan 0.000 0.494 591 L N 1.510 122.775 121.223 0.069 0.000 2.480 591 L HA 0.197 4.537 4.340 -0.000 0.000 0.243 591 L C -0.131 176.801 176.870 0.103 0.000 1.315 591 L CA 0.261 55.162 54.840 0.101 0.000 1.231 591 L CB -0.699 41.398 42.059 0.065 0.000 1.444 591 L HN 0.113 nan 8.230 nan 0.000 0.409 592 T N 1.046 115.689 114.554 0.149 0.000 2.912 592 T HA 0.546 4.896 4.350 -0.000 0.000 0.299 592 T C -0.295 174.547 174.700 0.237 0.000 1.052 592 T CA -0.508 61.675 62.100 0.138 0.000 0.996 592 T CB 2.347 71.268 68.868 0.087 0.000 1.070 592 T HN 0.105 nan 8.240 nan 0.000 0.465 593 L N 2.627 123.954 121.223 0.172 0.000 2.295 593 L HA 0.574 4.914 4.340 -0.000 0.000 0.281 593 L C 1.141 178.104 176.870 0.156 0.000 1.018 593 L CA -0.860 54.087 54.840 0.179 0.000 0.841 593 L CB 1.071 43.202 42.059 0.120 0.000 1.218 593 L HN 0.842 nan 8.230 nan 0.000 0.424 594 G N 1.971 110.882 108.800 0.185 0.000 2.684 594 G HA2 0.387 4.347 3.960 -0.000 0.000 0.255 594 G HA3 0.387 4.347 3.960 -0.000 0.000 0.255 594 G C 0.287 175.289 174.900 0.169 0.000 1.219 594 G CA -0.261 44.938 45.100 0.165 0.000 0.901 594 G HN 0.765 nan 8.290 nan 0.000 0.548 595 A N -0.820 122.089 122.820 0.149 0.000 2.561 595 A HA 0.478 4.798 4.320 -0.000 0.000 0.251 595 A C 1.726 179.424 177.584 0.190 0.000 1.062 595 A CA 1.371 53.484 52.037 0.126 0.000 0.761 595 A CB -0.725 18.329 19.000 0.090 0.000 0.986 595 A HN 2.635 nan 8.150 nan 0.000 0.510 596 G N 1.969 110.867 108.800 0.163 0.000 2.179 596 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 596 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 596 G C 0.043 175.221 174.900 0.463 0.000 0.977 596 G CA 0.663 45.927 45.100 0.272 0.000 0.641 596 G HN 0.891 nan 8.290 nan 0.000 0.533 597 E N 0.196 120.592 120.200 0.326 0.000 2.283 597 E HA 0.693 5.043 4.350 -0.000 0.000 0.267 597 E C 0.350 177.078 176.600 0.212 0.000 1.045 597 E CA 0.011 56.539 56.400 0.214 0.000 0.884 597 E CB 1.519 31.308 29.700 0.148 0.000 1.106 597 E HN 0.722 nan 8.360 nan 0.000 0.408 598 A N 1.400 124.185 122.820 -0.059 0.000 2.423 598 A HA 0.720 5.040 4.320 -0.000 0.000 0.304 598 A C -1.364 176.024 177.584 -0.327 0.000 1.104 598 A CA -0.647 51.317 52.037 -0.122 0.000 0.757 598 A CB 2.000 20.841 19.000 -0.264 0.000 1.313 598 A HN 0.353 nan 8.150 nan 0.000 0.423 599 V N 1.258 121.054 119.914 -0.196 0.000 2.888 599 V HA 0.665 4.785 4.120 -0.000 0.000 0.309 599 V C -1.834 174.224 176.094 -0.059 0.000 1.114 599 V CA -0.612 61.579 62.300 -0.183 0.000 0.940 599 V CB 1.922 33.653 31.823 -0.153 0.000 1.021 599 V HN 1.051 nan 8.190 nan 0.000 0.426 600 L N 7.216 128.413 121.223 -0.044 0.000 2.287 600 L HA 0.843 5.183 4.340 -0.000 0.000 0.287 600 L C -0.459 176.413 176.870 0.003 0.000 1.022 600 L CA -0.012 54.820 54.840 -0.015 0.000 0.814 600 L CB 1.633 43.673 42.059 -0.032 0.000 1.217 600 L HN 0.679 nan 8.230 nan 0.000 0.420 601 V N 1.984 121.909 119.914 0.018 0.000 2.960 601 V HA 1.119 5.239 4.120 -0.000 0.000 0.315 601 V C -0.071 176.029 176.094 0.011 0.000 1.087 601 V CA 0.054 62.366 62.300 0.020 0.000 0.982 601 V CB 1.266 33.109 31.823 0.034 0.000 1.039 601 V HN 0.910 nan 8.190 nan 0.000 0.437 602 G N 0.000 108.803 108.800 0.004 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