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 1b41_1_A DATA FIRST_RESID 5 DATA SEQUENCE DAELLVTVRG GRLRGIRLKT PGGPVSAFLG IPFAEPPMGP RRFLPPEPKQ DATA SEQUENCE PWSGVVDATT FQSVcYQYVD TLYPGFEGTE MWNPNRELSE DcLYLNVWTP DATA SEQUENCE YPRPTSPTPV LVWIYGGGFY SGASSLDVYD GRFLVQAERT VLVSMNYRVG DATA SEQUENCE AFGFLALPGS REAPGNVGLL DQRLALQWVQ ENVAAFGGDP TSVTLFGESA DATA SEQUENCE GAASVGMHLL SPPSRGLFHR AVLQSGAPNG PWATVGMGEA RRRATQLAHL DATA SEQUENCE VGcPXXXXXX NDTELVAcLR TRPAQVLVNH EWHVLPQESV FRFSFVPVVD DATA SEQUENCE GDFLSDTPEA LINAGDFHGL QVLVGVVKDE GSYFLVYGAP GFSKDNESLI DATA SEQUENCE SRAEFLAGVR VGVPQVSDLA AEAVVLHYTD WLHPEDPARL REALSDVVGD DATA SEQUENCE HNVVcPVAQL AGRLAAQGAR VYAYVFEHRA STLSWPLWMG VPHGYEIEFI DATA SEQUENCE FGIPLDPSRN YTAEEKIFAQ RLMRYWANFA RTGDPNEPXX PKAPQWPPYT DATA SEQUENCE AGAQQYVSLD LRPLEVRRGL RAQAcAFWNR FLPKLLSAT 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.334 176.300 0.056 0.000 2.045 5 D CA 0.000 54.044 54.000 0.074 0.000 0.868 5 D CB 0.000 40.825 40.800 0.042 0.000 0.688 6 A N 0.468 123.318 122.820 0.049 0.000 2.081 6 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 6 A C 1.681 179.283 177.584 0.031 0.000 1.158 6 A CA 0.709 52.764 52.037 0.031 0.000 0.724 6 A CB 0.024 19.033 19.000 0.015 0.000 0.826 6 A HN 0.054 nan 8.150 nan 0.000 0.463 7 E N -0.132 120.080 120.200 0.020 0.000 2.478 7 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 7 E C 0.885 177.592 176.600 0.178 0.000 1.045 7 E CA 0.032 56.451 56.400 0.031 0.000 0.868 7 E CB -0.004 29.617 29.700 -0.132 0.000 0.885 7 E HN 0.572 nan 8.360 nan 0.000 0.505 8 L N 0.939 122.238 121.223 0.126 0.000 2.591 8 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 8 L C 0.034 177.038 176.870 0.224 0.000 1.133 8 L CA 0.081 54.967 54.840 0.075 0.000 0.880 8 L CB 0.164 42.192 42.059 -0.052 0.000 1.033 8 L HN 0.050 nan 8.230 nan 0.000 0.450 9 L N 0.834 122.198 121.223 0.234 0.000 2.325 9 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 9 L C -0.318 176.649 176.870 0.163 0.000 1.004 9 L CA -0.190 54.775 54.840 0.209 0.000 0.823 9 L CB 1.684 43.807 42.059 0.107 0.000 1.236 9 L HN -0.284 nan 8.230 nan 0.000 0.415 10 V N 1.876 121.876 119.914 0.142 0.000 2.971 10 V HA 0.609 4.729 4.120 -0.000 0.000 0.309 10 V C -0.135 175.905 176.094 -0.090 0.000 1.130 10 V CA -0.563 61.662 62.300 -0.125 0.000 0.964 10 V CB 2.741 34.228 31.823 -0.559 0.000 1.029 10 V HN 0.768 nan 8.190 nan 0.000 0.427 11 T N 3.242 117.697 114.554 -0.165 0.000 2.797 11 T HA 0.688 5.038 4.350 -0.000 0.000 0.279 11 T C -0.370 174.229 174.700 -0.169 0.000 0.991 11 T CA -0.431 61.604 62.100 -0.107 0.000 0.979 11 T CB 1.558 70.365 68.868 -0.101 0.000 0.943 11 T HN 0.807 nan 8.240 nan 0.000 0.444 12 V N 1.815 121.675 119.914 -0.091 0.000 3.103 12 V HA 0.684 4.804 4.120 -0.000 0.000 0.318 12 V C 1.555 177.542 176.094 -0.179 0.000 1.114 12 V CA -1.264 60.967 62.300 -0.115 0.000 1.020 12 V CB 1.649 33.538 31.823 0.110 0.000 1.085 12 V HN 0.662 nan 8.190 nan 0.000 0.446 13 R N 1.900 122.280 120.500 -0.201 0.000 2.174 13 R HA -0.112 4.228 4.340 -0.000 0.000 0.253 13 R C 1.839 177.980 176.300 -0.264 0.000 1.165 13 R CA 2.634 58.616 56.100 -0.197 0.000 0.984 13 R CB -1.122 29.080 30.300 -0.164 0.000 0.873 13 R HN 1.062 nan 8.270 nan 0.000 0.456 14 G N -2.022 106.574 108.800 -0.341 0.000 2.396 14 G HA2 0.290 4.250 3.960 -0.000 0.000 0.214 14 G HA3 0.290 4.250 3.960 -0.000 0.000 0.214 14 G C 0.573 174.595 174.900 -1.462 0.000 1.166 14 G CA 0.606 45.231 45.100 -0.791 0.000 0.793 14 G HN 0.720 nan 8.290 nan 0.000 0.533 15 G N -1.220 106.847 108.800 -1.222 0.000 2.360 15 G HA2 0.409 4.369 3.960 -0.000 0.000 0.276 15 G HA3 0.409 4.369 3.960 -0.000 0.000 0.276 15 G C -1.417 173.410 174.900 -0.121 0.000 1.256 15 G CA -1.108 43.457 45.100 -0.891 0.000 0.890 15 G HN 0.330 nan 8.290 nan 0.000 0.486 16 R N -0.583 120.023 120.500 0.176 0.000 2.410 16 R HA 0.745 5.085 4.340 -0.000 0.000 0.288 16 R C -0.381 176.199 176.300 0.466 0.000 1.051 16 R CA -0.237 56.028 56.100 0.274 0.000 1.021 16 R CB 1.100 31.508 30.300 0.179 0.000 1.032 16 R HN 0.384 nan 8.270 nan 0.000 0.481 17 L N 1.786 123.225 121.223 0.359 0.000 2.370 17 L HA 0.597 4.937 4.340 -0.000 0.000 0.266 17 L C -0.251 176.826 176.870 0.344 0.000 1.002 17 L CA -0.975 54.097 54.840 0.386 0.000 0.818 17 L CB 2.041 44.396 42.059 0.494 0.000 1.325 17 L HN 0.418 nan 8.230 nan 0.000 0.418 18 R N 1.093 121.744 120.500 0.251 0.000 2.435 18 R HA 0.576 4.916 4.340 -0.000 0.000 0.308 18 R C -0.551 175.744 176.300 -0.009 0.000 0.975 18 R CA -0.201 55.981 56.100 0.136 0.000 0.867 18 R CB 1.744 32.084 30.300 0.065 0.000 1.171 18 R HN 0.854 nan 8.270 nan 0.000 0.470 19 G N 3.734 112.385 108.800 -0.249 0.000 2.695 19 G HA2 0.576 4.536 3.960 -0.000 0.000 0.213 19 G HA3 0.576 4.536 3.960 -0.000 0.000 0.213 19 G C -0.083 174.567 174.900 -0.416 0.000 1.406 19 G CA -0.524 44.191 45.100 -0.640 0.000 1.049 19 G HN 0.643 nan 8.290 nan 0.000 0.573 20 I N -2.509 117.789 120.570 -0.453 0.000 2.841 20 I HA 0.648 4.818 4.170 -0.000 0.000 0.298 20 I C -0.912 175.083 176.117 -0.204 0.000 1.304 20 I CA -1.404 59.745 61.300 -0.253 0.000 1.019 20 I CB 2.527 40.402 38.000 -0.208 0.000 1.282 20 I HN 0.690 nan 8.210 nan 0.000 0.432 21 R N 5.063 125.501 120.500 -0.104 0.000 2.428 21 R HA 0.812 5.152 4.340 -0.000 0.000 0.294 21 R C -1.657 174.604 176.300 -0.066 0.000 1.000 21 R CA -0.731 55.340 56.100 -0.047 0.000 0.960 21 R CB 1.478 31.769 30.300 -0.015 0.000 1.076 21 R HN 0.713 nan 8.270 nan 0.000 0.475 22 L N 2.730 123.926 121.223 -0.045 0.000 2.329 22 L HA 0.467 4.807 4.340 -0.000 0.000 0.279 22 L C -0.006 176.810 176.870 -0.090 0.000 1.014 22 L CA -1.214 53.593 54.840 -0.055 0.000 0.814 22 L CB 1.901 43.951 42.059 -0.014 0.000 1.257 22 L HN 0.623 nan 8.230 nan 0.000 0.424 23 K N 1.775 122.118 120.400 -0.095 0.000 2.237 23 K HA 0.513 4.833 4.320 -0.000 0.000 0.270 23 K C -0.512 176.007 176.600 -0.135 0.000 1.015 23 K CA -0.282 55.945 56.287 -0.101 0.000 0.949 23 K CB 1.234 33.693 32.500 -0.069 0.000 0.976 23 K HN 0.515 nan 8.250 nan 0.000 0.472 24 T N 1.971 116.456 114.554 -0.114 0.000 2.932 24 T HA 0.205 4.555 4.350 -0.000 0.000 0.318 24 T C -2.276 172.412 174.700 -0.020 0.000 1.265 24 T CA -1.150 60.883 62.100 -0.113 0.000 1.036 24 T CB 1.893 70.652 68.868 -0.182 0.000 1.209 24 T HN 0.237 nan 8.240 nan 0.000 0.484 25 P HA 0.074 nan 4.420 nan 0.000 0.234 25 P C 1.070 178.387 177.300 0.028 0.000 1.162 25 P CA 0.653 63.783 63.100 0.049 0.000 0.759 25 P CB 0.134 31.886 31.700 0.086 0.000 0.813 26 G N -2.542 106.269 108.800 0.018 0.000 2.945 26 G HA2 0.499 4.459 3.960 -0.000 0.000 0.225 26 G HA3 0.499 4.459 3.960 -0.000 0.000 0.225 26 G C 0.389 175.283 174.900 -0.011 0.000 1.046 26 G CA 0.378 45.484 45.100 0.010 0.000 0.842 26 G HN 0.495 nan 8.290 nan 0.000 0.543 27 G N -0.161 108.618 108.800 -0.035 0.000 2.350 27 G HA2 0.400 4.360 3.960 -0.000 0.000 0.305 27 G HA3 0.400 4.360 3.960 -0.000 0.000 0.305 27 G C -3.401 171.443 174.900 -0.093 0.000 1.479 27 G CA -0.606 44.457 45.100 -0.061 0.000 0.949 27 G HN 0.086 nan 8.290 nan 0.000 0.651 28 P HA 0.571 nan 4.420 nan 0.000 0.274 28 P C -0.586 176.678 177.300 -0.059 0.000 1.246 28 P CA -0.290 62.701 63.100 -0.181 0.000 0.795 28 P CB 1.800 33.269 31.700 -0.385 0.000 1.006 29 V N 0.594 120.517 119.914 0.016 0.000 2.888 29 V HA 0.239 4.359 4.120 -0.000 0.000 0.309 29 V C -0.031 176.171 176.094 0.181 0.000 1.114 29 V CA -0.565 61.824 62.300 0.148 0.000 0.940 29 V CB 2.257 34.157 31.823 0.130 0.000 1.021 29 V HN 0.491 nan 8.190 nan 0.000 0.426 30 S N 2.848 118.704 115.700 0.259 0.000 2.475 30 S HA 0.791 5.261 4.470 -0.000 0.000 0.281 30 S C 0.008 174.678 174.600 0.117 0.000 1.198 30 S CA -0.260 58.047 58.200 0.179 0.000 1.063 30 S CB 1.300 64.677 63.200 0.295 0.000 0.972 30 S HN 1.082 nan 8.310 nan 0.000 0.486 31 A N 2.862 125.582 122.820 -0.168 0.000 2.386 31 A HA 0.856 5.176 4.320 -0.000 0.000 0.311 31 A C -1.357 175.893 177.584 -0.557 0.000 1.068 31 A CA -0.632 51.208 52.037 -0.329 0.000 0.743 31 A CB 0.711 19.448 19.000 -0.439 0.000 1.258 31 A HN 0.650 nan 8.150 nan 0.000 0.429 32 F N 1.862 121.585 119.950 -0.378 0.000 2.500 32 F HA 0.492 5.019 4.527 -0.000 0.000 0.349 32 F C -0.349 175.212 175.800 -0.397 0.000 1.127 32 F CA -0.363 57.492 58.000 -0.242 0.000 0.998 32 F CB 1.540 40.525 39.000 -0.026 0.000 1.237 32 F HN 0.351 nan 8.300 nan 0.000 0.439 33 L N 2.440 123.479 121.223 -0.307 0.000 2.317 33 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 33 L C 0.829 177.577 176.870 -0.202 0.000 1.024 33 L CA -0.934 53.678 54.840 -0.380 0.000 0.810 33 L CB 1.664 43.290 42.059 -0.721 0.000 1.240 33 L HN 0.844 nan 8.230 nan 0.000 0.427 34 G N 3.120 111.863 108.800 -0.095 0.000 2.171 34 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.238 34 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.238 34 G C -0.133 174.765 174.900 -0.004 0.000 1.039 34 G CA -0.534 44.514 45.100 -0.086 0.000 0.759 34 G HN 0.501 nan 8.290 nan 0.000 0.501 35 I N 2.194 122.793 120.570 0.048 0.000 2.436 35 I HA 0.209 4.379 4.170 -0.000 0.000 0.289 35 I C -1.361 174.845 176.117 0.149 0.000 1.083 35 I CA -1.950 59.385 61.300 0.057 0.000 1.372 35 I CB 0.841 38.827 38.000 -0.023 0.000 1.408 35 I HN -0.008 nan 8.210 nan 0.000 0.516 36 P HA -0.017 nan 4.420 nan 0.000 0.271 36 P C -0.154 177.158 177.300 0.020 0.000 1.233 36 P CA 0.078 63.187 63.100 0.015 0.000 0.764 36 P CB 0.420 32.129 31.700 0.014 0.000 0.825 37 F N 2.033 121.889 119.950 -0.156 0.000 2.706 37 F HA 0.697 5.224 4.527 -0.000 0.000 0.308 37 F C 0.027 175.851 175.800 0.039 0.000 1.095 37 F CA -0.877 57.098 58.000 -0.043 0.000 1.244 37 F CB 0.159 39.022 39.000 -0.229 0.000 1.063 37 F HN 0.323 nan 8.300 nan 0.000 0.582 38 A N 0.114 122.683 122.820 -0.418 0.000 2.556 38 A HA 0.609 4.929 4.320 -0.000 0.000 0.294 38 A C -0.958 176.483 177.584 -0.238 0.000 1.091 38 A CA -0.757 51.131 52.037 -0.249 0.000 0.704 38 A CB 1.026 19.801 19.000 -0.376 0.000 1.300 38 A HN 0.061 nan 8.150 nan 0.000 0.406 39 E N 2.542 122.679 120.200 -0.106 0.000 2.316 39 E HA 0.264 4.614 4.350 -0.000 0.000 0.275 39 E C -2.221 174.297 176.600 -0.137 0.000 1.029 39 E CA -1.582 54.767 56.400 -0.084 0.000 0.871 39 E CB 0.520 30.207 29.700 -0.021 0.000 1.022 39 E HN 0.401 nan 8.360 nan 0.000 0.418 40 P HA -0.009 nan 4.420 nan 0.000 0.260 40 P C -2.445 174.790 177.300 -0.108 0.000 1.172 40 P CA -0.966 62.044 63.100 -0.149 0.000 0.760 40 P CB -0.136 31.505 31.700 -0.098 0.000 0.773 41 P HA 0.141 nan 4.420 nan 0.000 0.228 41 P C 0.155 177.392 177.300 -0.106 0.000 1.748 41 P CA 0.367 63.410 63.100 -0.094 0.000 0.909 41 P CB -0.246 31.400 31.700 -0.090 0.000 1.882 42 M N -0.249 119.296 119.600 -0.091 0.000 2.247 42 M HA 0.285 4.765 4.480 -0.000 0.000 0.326 42 M C 1.802 178.052 176.300 -0.083 0.000 1.134 42 M CA 0.108 55.352 55.300 -0.093 0.000 1.136 42 M CB -0.380 32.177 32.600 -0.070 0.000 1.454 42 M HN 0.303 nan 8.290 nan 0.000 0.467 43 G N 3.397 112.144 108.800 -0.088 0.000 2.678 43 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.362 43 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.362 43 G C -1.108 173.755 174.900 -0.061 0.000 1.169 43 G CA 0.769 45.827 45.100 -0.070 0.000 0.933 43 G HN 0.627 nan 8.290 nan 0.000 0.587 44 P HA -0.148 nan 4.420 nan 0.000 0.218 44 P C 1.598 178.892 177.300 -0.010 0.000 1.146 44 P CA 2.027 65.121 63.100 -0.010 0.000 0.820 44 P CB -0.193 31.505 31.700 -0.003 0.000 0.778 45 R N -0.875 119.607 120.500 -0.032 0.000 2.200 45 R HA 0.077 4.417 4.340 -0.000 0.000 0.208 45 R C 1.595 177.864 176.300 -0.053 0.000 1.033 45 R CA -0.266 55.817 56.100 -0.028 0.000 1.000 45 R CB -0.244 30.035 30.300 -0.035 0.000 0.906 45 R HN 0.132 nan 8.270 nan 0.000 0.462 46 R N 0.902 121.322 120.500 -0.133 0.000 2.523 46 R HA -0.194 4.146 4.340 -0.000 0.000 0.281 46 R C -0.472 175.683 176.300 -0.242 0.000 0.969 46 R CA 0.826 56.739 56.100 -0.312 0.000 1.093 46 R CB 0.087 30.064 30.300 -0.537 0.000 0.917 46 R HN 0.152 nan 8.270 nan 0.000 0.408 47 F N 0.135 120.086 119.950 0.002 0.000 2.502 47 F HA -0.291 4.236 4.527 -0.000 0.000 0.480 47 F C -0.023 175.758 175.800 -0.033 0.000 0.543 47 F CA 0.317 58.293 58.000 -0.040 0.000 1.350 47 F CB -1.535 37.429 39.000 -0.060 0.000 1.999 47 F HN 0.388 nan 8.300 nan 0.000 0.267 48 L N 1.519 122.822 121.223 0.134 0.000 2.379 48 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 48 L C -1.727 175.177 176.870 0.057 0.000 1.084 48 L CA -1.810 53.080 54.840 0.084 0.000 0.802 48 L CB 0.578 42.674 42.059 0.060 0.000 1.175 48 L HN -0.373 nan 8.230 nan 0.000 0.448 49 P HA 0.032 nan 4.420 nan 0.000 0.268 49 P C -2.441 174.894 177.300 0.058 0.000 1.208 49 P CA -0.605 62.533 63.100 0.062 0.000 0.777 49 P CB -0.163 31.581 31.700 0.073 0.000 0.875 50 P HA 0.182 nan 4.420 nan 0.000 0.277 50 P C -0.766 176.578 177.300 0.075 0.000 1.240 50 P CA -0.003 63.135 63.100 0.063 0.000 0.798 50 P CB 1.007 32.764 31.700 0.094 0.000 0.979 51 E N 2.507 122.738 120.200 0.052 0.000 2.191 51 E HA 0.378 4.728 4.350 -0.000 0.000 0.274 51 E C -2.299 174.350 176.600 0.082 0.000 0.948 51 E CA -2.369 54.069 56.400 0.064 0.000 0.802 51 E CB 0.740 30.466 29.700 0.043 0.000 1.137 51 E HN 0.336 nan 8.360 nan 0.000 0.397 52 P HA -0.098 nan 4.420 nan 0.000 0.264 52 P C -0.766 176.618 177.300 0.140 0.000 1.183 52 P CA 0.023 63.218 63.100 0.158 0.000 0.763 52 P CB 0.386 32.176 31.700 0.150 0.000 0.807 53 K N 3.662 124.171 120.400 0.182 0.000 2.447 53 K HA -0.000 4.320 4.320 -0.000 0.000 0.281 53 K C -0.025 176.710 176.600 0.224 0.000 1.031 53 K CA 0.583 56.980 56.287 0.183 0.000 1.019 53 K CB -0.152 32.493 32.500 0.243 0.000 0.918 53 K HN 0.357 nan 8.250 nan 0.000 0.476 54 Q N 4.874 124.784 119.800 0.183 0.000 2.394 54 Q HA 0.188 4.528 4.340 -0.000 0.000 0.248 54 Q C -1.966 174.168 176.000 0.224 0.000 0.992 54 Q CA -1.829 54.071 55.803 0.161 0.000 0.888 54 Q CB 0.324 29.133 28.738 0.119 0.000 1.257 54 Q HN 0.542 nan 8.270 nan 0.000 0.462 55 P HA -0.099 nan 4.420 nan 0.000 0.266 55 P C -1.388 175.986 177.300 0.123 0.000 1.193 55 P CA 0.243 63.330 63.100 -0.021 0.000 0.770 55 P CB 0.212 31.856 31.700 -0.093 0.000 0.836 56 W N 1.109 122.448 121.300 0.065 0.000 2.761 56 W HA 0.665 5.325 4.660 -0.000 0.000 0.340 56 W C -0.806 175.742 176.519 0.048 0.000 1.072 56 W CA -1.057 56.323 57.345 0.058 0.000 1.215 56 W CB 0.247 29.749 29.460 0.071 0.000 1.420 56 W HN 0.365 nan 8.180 nan 0.000 0.519 57 S N 2.319 118.183 115.700 0.274 0.000 2.585 57 S HA 0.841 5.311 4.470 -0.000 0.000 0.277 57 S C 0.463 175.223 174.600 0.268 0.000 1.241 57 S CA 0.103 58.405 58.200 0.170 0.000 1.041 57 S CB 0.917 64.182 63.200 0.109 0.000 0.987 57 S HN 2.179 nan 8.310 nan 0.000 0.512 58 G N -0.051 108.865 108.800 0.193 0.000 2.725 58 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.220 58 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.220 58 G C -0.514 174.563 174.900 0.296 0.000 1.357 58 G CA -0.362 44.855 45.100 0.195 0.000 0.866 58 G HN 1.943 nan 8.290 nan 0.000 0.548 59 V N -0.045 120.001 119.914 0.219 0.000 2.435 59 V HA 0.675 4.795 4.120 -0.000 0.000 0.290 59 V C 0.513 176.694 176.094 0.145 0.000 1.030 59 V CA -0.435 62.007 62.300 0.238 0.000 0.881 59 V CB 1.395 33.311 31.823 0.155 0.000 0.983 59 V HN 1.211 nan 8.190 nan 0.000 0.445 60 V N 5.797 125.785 119.914 0.123 0.000 2.546 60 V HA 0.262 4.382 4.120 -0.000 0.000 0.284 60 V C 0.144 176.219 176.094 -0.033 0.000 1.050 60 V CA -0.365 61.869 62.300 -0.110 0.000 0.981 60 V CB 1.579 33.132 31.823 -0.449 0.000 0.990 60 V HN 1.043 nan 8.190 nan 0.000 0.474 61 D N 4.451 124.805 120.400 -0.077 0.000 2.338 61 D HA 0.353 4.993 4.640 -0.000 0.000 0.255 61 D C 0.262 176.507 176.300 -0.092 0.000 1.237 61 D CA 0.010 53.969 54.000 -0.068 0.000 0.883 61 D CB 1.171 41.921 40.800 -0.083 0.000 1.087 61 D HN 0.656 nan 8.370 nan 0.000 0.485 62 A N 3.287 126.071 122.820 -0.060 0.000 3.113 62 A HA 0.288 4.608 4.320 -0.000 0.000 0.307 62 A C 1.098 178.575 177.584 -0.177 0.000 1.025 62 A CA -0.132 51.856 52.037 -0.082 0.000 1.012 62 A CB -0.220 18.826 19.000 0.077 0.000 1.085 62 A HN 0.582 nan 8.150 nan 0.000 0.519 63 T N -3.648 110.793 114.554 -0.188 0.000 3.023 63 T HA 0.219 4.569 4.350 -0.000 0.000 0.249 63 T C 0.850 175.396 174.700 -0.256 0.000 1.050 63 T CA 0.973 62.942 62.100 -0.219 0.000 1.088 63 T CB 0.141 68.916 68.868 -0.156 0.000 0.946 63 T HN 0.366 nan 8.240 nan 0.000 0.480 64 T N 0.537 114.951 114.554 -0.234 0.000 2.908 64 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 64 T C -1.058 173.502 174.700 -0.235 0.000 1.034 64 T CA -0.981 60.981 62.100 -0.230 0.000 1.010 64 T CB 0.548 69.347 68.868 -0.116 0.000 1.068 64 T HN 0.112 nan 8.240 nan 0.000 0.481 65 F N 2.460 122.364 119.950 -0.077 0.000 2.586 65 F HA 0.281 4.808 4.527 -0.000 0.000 0.344 65 F C 1.411 177.135 175.800 -0.127 0.000 1.188 65 F CA 0.140 58.098 58.000 -0.070 0.000 1.359 65 F CB 0.492 39.485 39.000 -0.012 0.000 1.129 65 F HN 0.395 nan 8.300 nan 0.000 0.609 66 Q N 0.102 119.955 119.800 0.090 0.000 2.293 66 Q HA 0.347 4.686 4.340 -0.000 0.000 0.216 66 Q C -0.349 175.640 176.000 -0.018 0.000 1.003 66 Q CA -0.621 55.101 55.803 -0.135 0.000 0.995 66 Q CB 1.619 30.051 28.738 -0.510 0.000 1.172 66 Q HN 0.659 nan 8.270 nan 0.000 0.518 67 S N -0.103 115.568 115.700 -0.047 0.000 2.563 67 S HA 0.095 4.565 4.470 -0.000 0.000 0.284 67 S C 0.024 174.646 174.600 0.037 0.000 1.331 67 S CA -0.475 57.729 58.200 0.006 0.000 1.047 67 S CB 0.299 63.513 63.200 0.023 0.000 0.859 67 S HN 0.323 nan 8.310 nan 0.000 0.514 68 V N 2.135 122.039 119.914 -0.017 0.000 2.546 68 V HA 0.104 4.224 4.120 -0.000 0.000 0.284 68 V C 0.585 176.658 176.094 -0.034 0.000 1.050 68 V CA -0.886 61.384 62.300 -0.049 0.000 0.981 68 V CB 0.693 32.452 31.823 -0.107 0.000 0.990 68 V HN 1.034 nan 8.190 nan 0.000 0.474 69 c N 4.582 123.171 118.600 -0.020 0.000 2.642 69 c HA 0.102 4.672 4.570 -0.000 0.000 0.420 69 c C 0.567 174.644 174.090 -0.022 0.000 1.349 69 c CA -0.586 55.739 56.329 -0.007 0.000 1.821 69 c CB -1.205 41.321 42.510 0.026 0.000 2.637 69 c HN 0.746 nan 8.230 nan 0.000 0.605 70 Y N 4.229 124.411 120.300 -0.196 0.000 2.944 70 Y HA 0.101 4.651 4.550 -0.000 0.000 0.340 70 Y C 0.884 176.784 175.900 -0.001 0.000 1.275 70 Y CA 1.259 59.230 58.100 -0.215 0.000 1.590 70 Y CB 0.091 38.186 38.460 -0.608 0.000 1.218 70 Y HN 0.759 nan 8.280 nan 0.000 0.576 71 Q N 3.908 123.643 119.800 -0.109 0.000 2.630 71 Q HA 0.264 4.604 4.340 -0.000 0.000 0.295 71 Q C -1.825 174.279 176.000 0.173 0.000 0.944 71 Q CA -1.280 54.626 55.803 0.172 0.000 0.766 71 Q CB 1.384 30.218 28.738 0.160 0.000 1.471 71 Q HN 0.591 nan 8.270 nan 0.000 0.416 72 Y N 0.835 121.302 120.300 0.280 0.000 2.346 72 Y HA 0.444 4.994 4.550 -0.000 0.000 0.330 72 Y C -1.026 175.042 175.900 0.279 0.000 1.178 72 Y CA -0.219 58.076 58.100 0.324 0.000 1.331 72 Y CB 1.161 39.931 38.460 0.518 0.000 1.253 72 Y HN 0.423 nan 8.280 nan 0.000 0.529 73 V N 6.537 126.029 119.914 -0.705 0.000 2.350 73 V HA 0.095 4.215 4.120 -0.000 0.000 0.276 73 V C -0.538 175.022 176.094 -0.891 0.000 1.028 73 V CA -0.889 61.081 62.300 -0.550 0.000 0.860 73 V CB 0.963 32.622 31.823 -0.274 0.000 0.990 73 V HN 0.788 nan 8.190 nan 0.000 0.453 74 D N 4.172 124.340 120.400 -0.386 0.000 2.349 74 D HA 0.050 4.690 4.640 -0.000 0.000 0.266 74 D C 1.060 177.397 176.300 0.062 0.000 1.293 74 D CA 0.206 54.217 54.000 0.017 0.000 0.926 74 D CB 0.963 42.002 40.800 0.398 0.000 1.090 74 D HN 0.692 nan 8.370 nan 0.000 0.502 75 T N 1.663 116.255 114.554 0.062 0.000 3.269 75 T HA 0.067 4.417 4.350 -0.000 0.000 0.269 75 T C 1.515 176.243 174.700 0.046 0.000 0.993 75 T CA -0.607 61.529 62.100 0.059 0.000 0.909 75 T CB -0.081 68.803 68.868 0.027 0.000 1.115 75 T HN 0.248 nan 8.240 nan 0.000 0.543 76 L N 0.934 122.168 121.223 0.019 0.000 1.990 76 L HA 0.069 4.409 4.340 -0.000 0.000 0.213 76 L C -0.060 176.612 176.870 -0.331 0.000 1.072 76 L CA 1.729 56.416 54.840 -0.255 0.000 0.755 76 L CB -0.635 41.117 42.059 -0.510 0.000 0.889 76 L HN 0.452 nan 8.230 nan 0.000 0.432 77 Y N 0.289 120.631 120.300 0.070 0.000 2.919 77 Y HA 0.446 4.996 4.550 -0.000 0.000 0.341 77 Y C -2.105 173.842 175.900 0.078 0.000 1.045 77 Y CA -3.784 54.337 58.100 0.034 0.000 1.218 77 Y CB -0.597 37.843 38.460 -0.033 0.000 1.137 77 Y HN 0.117 nan 8.280 nan 0.000 0.577 78 P HA -0.039 nan 4.420 nan 0.000 0.259 78 P C 1.036 178.405 177.300 0.115 0.000 1.155 78 P CA 1.995 65.161 63.100 0.110 0.000 0.759 78 P CB 0.512 32.254 31.700 0.070 0.000 0.753 79 G N 2.108 110.958 108.800 0.083 0.000 2.189 79 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.267 79 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.267 79 G C 0.070 175.020 174.900 0.084 0.000 0.975 79 G CA -0.303 44.830 45.100 0.054 0.000 0.644 79 G HN 0.535 nan 8.290 nan 0.000 0.537 80 F N 1.361 121.281 119.950 -0.050 0.000 2.389 80 F HA 0.568 5.095 4.527 -0.000 0.000 0.337 80 F C 1.272 176.977 175.800 -0.159 0.000 1.112 80 F CA -0.465 57.454 58.000 -0.136 0.000 1.192 80 F CB 1.129 40.036 39.000 -0.155 0.000 1.185 80 F HN 0.131 nan 8.300 nan 0.000 0.552 81 E N 2.796 122.359 120.200 -1.061 0.000 2.060 81 E HA -0.005 4.345 4.350 -0.000 0.000 0.189 81 E C 1.986 177.961 176.600 -1.041 0.000 0.974 81 E CA 0.867 56.741 56.400 -0.876 0.000 0.808 81 E CB -0.328 28.978 29.700 -0.658 0.000 0.768 81 E HN 0.972 nan 8.360 nan 0.000 0.453 82 G N -0.254 107.371 108.800 -1.958 0.000 2.527 82 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 82 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 82 G C 1.435 176.310 174.900 -0.042 0.000 1.117 82 G CA 1.250 45.692 45.100 -1.097 0.000 0.759 82 G HN 0.249 nan 8.290 nan 0.000 0.556 83 T N -0.439 114.023 114.554 -0.152 0.000 3.018 83 T HA 0.105 4.455 4.350 -0.000 0.000 0.246 83 T C 2.092 176.960 174.700 0.281 0.000 1.026 83 T CA 0.388 62.759 62.100 0.450 0.000 1.081 83 T CB 0.265 69.510 68.868 0.628 0.000 0.970 83 T HN 0.390 nan 8.240 nan 0.000 0.475 84 E N 1.768 121.975 120.200 0.012 0.000 2.299 84 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 84 E C 2.062 178.577 176.600 -0.142 0.000 0.998 84 E CA 0.518 56.897 56.400 -0.035 0.000 0.851 84 E CB -0.155 29.494 29.700 -0.085 0.000 0.795 84 E HN 0.608 nan 8.360 nan 0.000 0.492 85 M N -1.430 117.985 119.600 -0.307 0.000 2.629 85 M HA -0.053 4.427 4.480 -0.000 0.000 0.257 85 M C 0.787 176.712 176.300 -0.626 0.000 1.071 85 M CA 1.368 56.344 55.300 -0.540 0.000 1.077 85 M CB -0.401 31.750 32.600 -0.750 0.000 1.423 85 M HN 0.052 nan 8.290 nan 0.000 0.508 86 W N 0.611 121.821 121.300 -0.149 0.000 3.103 86 W HA 0.310 4.970 4.660 -0.000 0.000 0.325 86 W C 0.323 176.755 176.519 -0.145 0.000 1.170 86 W CA -0.915 56.330 57.345 -0.166 0.000 1.712 86 W CB -0.030 29.371 29.460 -0.098 0.000 1.068 86 W HN 0.079 nan 8.180 nan 0.000 0.592 87 N N 2.845 121.585 118.700 0.067 0.000 2.467 87 N HA 0.112 4.852 4.740 -0.000 0.000 0.262 87 N C -2.275 173.185 175.510 -0.083 0.000 1.234 87 N CA -1.237 51.812 53.050 -0.002 0.000 0.952 87 N CB -0.310 38.168 38.487 -0.016 0.000 1.158 87 N HN -0.255 nan 8.380 nan 0.000 0.463 88 P HA 0.002 nan 4.420 nan 0.000 0.261 88 P C -0.222 177.001 177.300 -0.128 0.000 1.183 88 P CA 0.040 63.061 63.100 -0.131 0.000 0.761 88 P CB 0.224 31.844 31.700 -0.132 0.000 0.785 89 N N 3.496 122.109 118.700 -0.144 0.000 2.467 89 N HA 0.127 4.867 4.740 -0.000 0.000 0.278 89 N C -0.093 175.357 175.510 -0.101 0.000 1.306 89 N CA -0.391 52.582 53.050 -0.129 0.000 0.905 89 N CB 0.334 38.724 38.487 -0.161 0.000 1.236 89 N HN 0.232 nan 8.380 nan 0.000 0.509 90 R N -0.102 120.344 120.500 -0.091 0.000 2.690 90 R HA 0.199 4.539 4.340 -0.000 0.000 0.269 90 R C -0.779 175.482 176.300 -0.066 0.000 1.037 90 R CA -0.504 55.558 56.100 -0.063 0.000 0.877 90 R CB 1.007 31.279 30.300 -0.048 0.000 1.255 90 R HN 0.178 nan 8.270 nan 0.000 0.467 91 E N 2.095 122.265 120.200 -0.050 0.000 2.452 91 E HA 0.057 4.407 4.350 -0.000 0.000 0.261 91 E C 0.175 176.745 176.600 -0.051 0.000 0.987 91 E CA 0.189 56.561 56.400 -0.047 0.000 0.926 91 E CB 0.511 30.194 29.700 -0.028 0.000 0.934 91 E HN 0.290 nan 8.360 nan 0.000 0.452 92 L N 1.607 122.786 121.223 -0.073 0.000 2.395 92 L HA 0.301 4.641 4.340 -0.000 0.000 0.269 92 L C 0.743 177.643 176.870 0.050 0.000 1.133 92 L CA -0.055 54.729 54.840 -0.093 0.000 0.812 92 L CB 0.879 42.730 42.059 -0.347 0.000 1.125 92 L HN 0.427 nan 8.230 nan 0.000 0.452 93 S N 0.027 115.783 115.700 0.094 0.000 2.565 93 S HA 0.179 4.649 4.470 -0.000 0.000 0.274 93 S C 0.105 174.708 174.600 0.006 0.000 1.144 93 S CA -0.662 57.593 58.200 0.092 0.000 0.849 93 S CB 1.523 64.748 63.200 0.042 0.000 1.103 93 S HN 0.735 nan 8.310 nan 0.000 0.455 94 E N 0.867 121.004 120.200 -0.105 0.000 2.285 94 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 94 E C -0.259 176.272 176.600 -0.116 0.000 0.997 94 E CA 0.352 56.627 56.400 -0.209 0.000 0.845 94 E CB 0.094 29.623 29.700 -0.284 0.000 0.782 94 E HN 0.528 nan 8.360 nan 0.000 0.491 95 D N 0.833 121.201 120.400 -0.053 0.000 2.483 95 D HA -0.004 4.636 4.640 -0.000 0.000 0.220 95 D C 0.237 176.590 176.300 0.088 0.000 1.173 95 D CA -0.224 53.769 54.000 -0.011 0.000 0.964 95 D CB -0.041 40.782 40.800 0.039 0.000 1.046 95 D HN 0.134 nan 8.370 nan 0.000 0.517 96 c N 2.376 120.971 118.600 -0.008 0.000 3.911 96 c HA 0.380 4.950 4.570 -0.000 0.000 0.318 96 c C 0.661 174.708 174.090 -0.071 0.000 1.643 96 c CA -0.651 55.734 56.329 0.094 0.000 1.845 96 c CB -1.180 41.362 42.510 0.054 0.000 2.981 96 c HN 0.412 nan 8.230 nan 0.000 0.656 97 L N 2.668 123.595 121.223 -0.493 0.000 2.401 97 L HA 0.413 4.753 4.340 -0.000 0.000 0.283 97 L C -0.865 175.245 176.870 -1.267 0.000 1.151 97 L CA 0.584 54.958 54.840 -0.777 0.000 0.942 97 L CB -0.576 40.934 42.059 -0.916 0.000 1.283 97 L HN 0.356 nan 8.230 nan 0.000 0.442 98 Y N 2.716 122.916 120.300 -0.168 0.000 2.609 98 Y HA 0.692 5.242 4.550 -0.000 0.000 0.342 98 Y C -0.119 175.968 175.900 0.312 0.000 1.058 98 Y CA -1.179 56.928 58.100 0.012 0.000 1.055 98 Y CB 1.995 40.449 38.460 -0.011 0.000 1.292 98 Y HN 0.261 nan 8.280 nan 0.000 0.476 99 L N -0.418 121.010 121.223 0.340 0.000 2.403 99 L HA 0.795 5.135 4.340 -0.000 0.000 0.253 99 L C -1.491 175.382 176.870 0.004 0.000 1.045 99 L CA -1.131 53.802 54.840 0.155 0.000 0.845 99 L CB 1.928 43.926 42.059 -0.101 0.000 1.447 99 L HN 0.505 nan 8.230 nan 0.000 0.411 100 N N -0.172 118.521 118.700 -0.012 0.000 2.229 100 N HA 0.744 5.484 4.740 -0.000 0.000 0.298 100 N C -1.557 173.794 175.510 -0.265 0.000 1.114 100 N CA -0.449 52.479 53.050 -0.203 0.000 0.776 100 N CB 2.902 41.241 38.487 -0.246 0.000 1.501 100 N HN 0.520 nan 8.380 nan 0.000 0.474 101 V N 0.944 120.599 119.914 -0.432 0.000 2.531 101 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 101 V C -0.880 175.042 176.094 -0.286 0.000 1.034 101 V CA -0.751 61.356 62.300 -0.321 0.000 0.865 101 V CB 2.373 33.771 31.823 -0.708 0.000 0.995 101 V HN 0.580 nan 8.190 nan 0.000 0.424 102 W N 2.772 124.123 121.300 0.084 0.000 2.362 102 W HA 0.564 5.224 4.660 -0.000 0.000 0.316 102 W C 0.030 176.627 176.519 0.129 0.000 1.024 102 W CA -0.335 57.084 57.345 0.124 0.000 1.270 102 W CB 2.083 31.611 29.460 0.114 0.000 1.273 102 W HN 0.523 nan 8.180 nan 0.000 0.424 103 T N 4.605 119.364 114.554 0.342 0.000 2.863 103 T HA 0.495 4.845 4.350 -0.000 0.000 0.285 103 T C -2.354 172.505 174.700 0.265 0.000 1.009 103 T CA -2.124 60.149 62.100 0.288 0.000 0.989 103 T CB 1.929 70.983 68.868 0.309 0.000 1.004 103 T HN -0.091 nan 8.240 nan 0.000 0.455 104 P HA 0.087 nan 4.420 nan 0.000 0.271 104 P C -1.713 175.722 177.300 0.224 0.000 1.228 104 P CA 0.096 63.308 63.100 0.187 0.000 0.797 104 P CB 0.187 31.968 31.700 0.135 0.000 0.914 105 Y N 1.331 121.679 120.300 0.080 0.000 2.354 105 Y HA 0.397 4.947 4.550 -0.000 0.000 0.330 105 Y C -2.423 173.506 175.900 0.047 0.000 1.011 105 Y CA -2.729 55.412 58.100 0.068 0.000 1.099 105 Y CB 0.812 39.306 38.460 0.055 0.000 1.179 105 Y HN 0.297 nan 8.280 nan 0.000 0.442 106 P HA 0.212 nan 4.420 nan 0.000 0.272 106 P C -0.789 176.459 177.300 -0.086 0.000 1.240 106 P CA -0.578 62.384 63.100 -0.230 0.000 0.791 106 P CB 1.054 32.669 31.700 -0.142 0.000 0.978 107 R N 1.904 122.326 120.500 -0.130 0.000 2.502 107 R HA 0.107 4.447 4.340 -0.000 0.000 0.292 107 R C -1.884 174.418 176.300 0.004 0.000 0.998 107 R CA -0.827 55.267 56.100 -0.012 0.000 1.056 107 R CB -0.886 29.409 30.300 -0.009 0.000 0.939 107 R HN 0.337 nan 8.270 nan 0.000 0.411 108 P HA -0.100 nan 4.420 nan 0.000 0.264 108 P C 0.235 177.543 177.300 0.013 0.000 1.173 108 P CA 0.417 63.536 63.100 0.031 0.000 0.761 108 P CB 0.793 32.522 31.700 0.048 0.000 0.794 109 T N -1.582 112.976 114.554 0.007 0.000 2.937 109 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 109 T C 0.763 175.462 174.700 -0.002 0.000 1.051 109 T CA 0.611 62.710 62.100 -0.002 0.000 1.141 109 T CB -0.084 68.782 68.868 -0.002 0.000 0.879 109 T HN 0.276 nan 8.240 nan 0.000 0.459 110 S N 2.281 117.983 115.700 0.003 0.000 2.638 110 S HA 0.578 5.048 4.470 -0.000 0.000 0.298 110 S C -2.775 171.829 174.600 0.006 0.000 1.111 110 S CA -1.276 56.924 58.200 0.000 0.000 1.027 110 S CB 1.380 64.579 63.200 -0.001 0.000 1.064 110 S HN 0.161 nan 8.310 nan 0.000 0.525 111 P HA 0.121 nan 4.420 nan 0.000 0.262 111 P C -0.640 176.667 177.300 0.012 0.000 1.199 111 P CA 0.220 63.325 63.100 0.009 0.000 0.763 111 P CB 0.229 31.928 31.700 -0.003 0.000 0.790 112 T N 4.490 119.062 114.554 0.030 0.000 2.824 112 T HA 0.455 4.805 4.350 -0.000 0.000 0.280 112 T C -2.575 172.146 174.700 0.035 0.000 0.995 112 T CA -2.950 59.168 62.100 0.030 0.000 1.009 112 T CB 0.446 69.341 68.868 0.044 0.000 0.955 112 T HN 0.107 nan 8.240 nan 0.000 0.452 113 P HA 0.067 nan 4.420 nan 0.000 0.266 113 P C -0.740 176.589 177.300 0.049 0.000 1.186 113 P CA -0.083 63.028 63.100 0.018 0.000 0.767 113 P CB 0.382 32.073 31.700 -0.014 0.000 0.820 114 V N 3.824 123.783 119.914 0.075 0.000 2.667 114 V HA 0.405 4.525 4.120 -0.000 0.000 0.308 114 V C 0.471 176.630 176.094 0.109 0.000 1.048 114 V CA -0.755 61.611 62.300 0.110 0.000 0.928 114 V CB 1.718 33.629 31.823 0.147 0.000 1.004 114 V HN 0.368 nan 8.190 nan 0.000 0.444 115 L N 4.105 125.403 121.223 0.125 0.000 2.343 115 L HA 0.574 4.914 4.340 -0.000 0.000 0.278 115 L C -0.923 176.167 176.870 0.366 0.000 0.996 115 L CA -0.646 54.272 54.840 0.130 0.000 0.831 115 L CB 1.991 43.967 42.059 -0.139 0.000 1.232 115 L HN 0.396 nan 8.230 nan 0.000 0.413 116 V N 2.495 122.670 119.914 0.435 0.000 2.394 116 V HA 0.317 4.436 4.120 -0.000 0.000 0.282 116 V C -0.473 175.951 176.094 0.550 0.000 1.031 116 V CA -0.559 61.992 62.300 0.420 0.000 0.881 116 V CB 1.877 33.821 31.823 0.202 0.000 0.982 116 V HN 0.700 nan 8.190 nan 0.000 0.451 117 W N 6.756 128.187 121.300 0.219 0.000 2.478 117 W HA 0.677 5.337 4.660 -0.000 0.000 0.318 117 W C -1.450 174.986 176.519 -0.138 0.000 1.062 117 W CA -0.863 56.386 57.345 -0.160 0.000 1.210 117 W CB 1.463 30.826 29.460 -0.162 0.000 1.325 117 W HN 0.451 nan 8.180 nan 0.000 0.496 118 I N 8.511 128.508 120.570 -0.955 0.000 2.382 118 I HA 0.119 4.289 4.170 -0.000 0.000 0.286 118 I C -0.137 175.182 176.117 -1.330 0.000 1.002 118 I CA -1.114 59.676 61.300 -0.851 0.000 1.135 118 I CB 0.969 38.597 38.000 -0.620 0.000 1.288 118 I HN 0.306 nan 8.210 nan 0.000 0.448 119 Y N 4.605 124.462 120.300 -0.738 0.000 2.281 119 Y HA 0.750 5.300 4.550 -0.000 0.000 0.337 119 Y C 0.790 176.488 175.900 -0.336 0.000 1.304 119 Y CA -0.877 56.848 58.100 -0.625 0.000 1.465 119 Y CB -0.142 38.181 38.460 -0.228 0.000 1.350 119 Y HN 0.530 nan 8.280 nan 0.000 0.575 120 G N -1.364 107.455 108.800 0.031 0.000 2.606 120 G HA2 0.473 4.433 3.960 -0.000 0.000 0.262 120 G HA3 0.473 4.433 3.960 -0.000 0.000 0.262 120 G C 0.296 175.139 174.900 -0.095 0.000 1.394 120 G CA -0.911 44.120 45.100 -0.115 0.000 1.044 120 G HN 1.745 nan 8.290 nan 0.000 0.553 121 G N -2.786 105.800 108.800 -0.358 0.000 2.165 121 G HA2 0.380 4.340 3.960 -0.000 0.000 0.144 121 G HA3 0.380 4.340 3.960 -0.000 0.000 0.144 121 G C 1.104 175.451 174.900 -0.922 0.000 1.049 121 G CA 0.691 45.460 45.100 -0.552 0.000 0.741 121 G HN 2.317 nan 8.290 nan 0.000 0.493 122 G N -0.509 107.736 108.800 -0.925 0.000 2.296 122 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.282 122 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.282 122 G C 0.931 175.472 174.900 -0.597 0.000 1.014 122 G CA 0.890 45.145 45.100 -1.408 0.000 0.812 122 G HN 1.775 nan 8.290 nan 0.000 0.508 123 F N -3.596 116.175 119.950 -0.299 0.000 2.871 123 F HA -0.327 4.200 4.527 -0.000 0.000 0.326 123 F C 1.493 177.375 175.800 0.137 0.000 0.675 123 F CA 2.261 60.230 58.000 -0.051 0.000 1.188 123 F CB -2.015 36.825 39.000 -0.268 0.000 1.567 123 F HN 0.881 nan 8.300 nan 0.000 0.325 124 Y N -1.222 119.154 120.300 0.127 0.000 2.453 124 Y HA 0.652 5.202 4.550 -0.000 0.000 0.247 124 Y C 0.588 176.610 175.900 0.202 0.000 1.124 124 Y CA 0.230 58.440 58.100 0.183 0.000 1.243 124 Y CB -0.030 38.468 38.460 0.064 0.000 1.213 124 Y HN 0.067 nan 8.280 nan 0.000 0.523 125 S N -0.681 114.840 115.700 -0.298 0.000 2.656 125 S HA 0.906 5.376 4.470 -0.000 0.000 0.273 125 S C -0.193 174.285 174.600 -0.203 0.000 1.168 125 S CA -0.515 57.569 58.200 -0.193 0.000 0.817 125 S CB 1.611 64.643 63.200 -0.280 0.000 1.146 125 S HN 1.330 nan 8.310 nan 0.000 0.475 126 G N -0.767 107.882 108.800 -0.251 0.000 2.406 126 G HA2 0.561 4.521 3.960 -0.000 0.000 0.680 126 G HA3 0.561 4.521 3.960 -0.000 0.000 0.680 126 G C -0.765 173.552 174.900 -0.971 0.000 1.338 126 G CA -0.170 44.601 45.100 -0.548 0.000 0.941 126 G HN 2.208 nan 8.290 nan 0.000 0.633 127 A N -0.724 121.336 122.820 -1.266 0.000 2.582 127 A HA 0.916 5.236 4.320 -0.000 0.000 0.297 127 A C 0.850 178.194 177.584 -0.399 0.000 1.059 127 A CA 0.705 52.253 52.037 -0.815 0.000 0.705 127 A CB 0.756 19.531 19.000 -0.375 0.000 1.279 127 A HN 2.423 nan 8.150 nan 0.000 0.404 128 S N 0.209 115.898 115.700 -0.019 0.000 2.515 128 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 128 S C 1.319 175.917 174.600 -0.002 0.000 0.987 128 S CA 1.446 59.815 58.200 0.281 0.000 0.936 128 S CB -0.402 63.063 63.200 0.442 0.000 0.766 128 S HN 1.858 nan 8.310 nan 0.000 0.528 129 S N 0.851 116.322 115.700 -0.382 0.000 2.605 129 S HA 0.358 4.828 4.470 -0.000 0.000 0.217 129 S C 0.422 174.623 174.600 -0.665 0.000 0.958 129 S CA -0.689 56.861 58.200 -1.083 0.000 0.919 129 S CB -0.635 61.985 63.200 -0.967 0.000 0.780 129 S HN 0.475 nan 8.310 nan 0.000 0.507 130 L N 2.334 123.314 121.223 -0.406 0.000 2.453 130 L HA 0.168 4.508 4.340 -0.000 0.000 0.272 130 L C 1.000 177.569 176.870 -0.502 0.000 1.182 130 L CA -0.489 54.061 54.840 -0.483 0.000 0.858 130 L CB 0.344 42.002 42.059 -0.668 0.000 1.120 130 L HN 0.140 nan 8.230 nan 0.000 0.474 131 D N 1.679 121.822 120.400 -0.428 0.000 2.158 131 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 131 D C 1.917 177.963 176.300 -0.423 0.000 0.995 131 D CA 1.035 54.838 54.000 -0.327 0.000 0.846 131 D CB 0.099 40.738 40.800 -0.267 0.000 0.941 131 D HN 0.388 nan 8.370 nan 0.000 0.456 132 V N 0.287 119.809 119.914 -0.653 0.000 3.241 132 V HA -0.204 3.916 4.120 -0.000 0.000 0.269 132 V C 0.351 175.936 176.094 -0.848 0.000 1.151 132 V CA 1.122 62.993 62.300 -0.715 0.000 1.158 132 V CB -0.598 30.718 31.823 -0.845 0.000 0.764 132 V HN 0.152 nan 8.190 nan 0.000 0.508 133 Y N -0.641 119.193 120.300 -0.776 0.000 2.681 133 Y HA 0.428 4.978 4.550 -0.000 0.000 0.267 133 Y C 0.465 175.938 175.900 -0.711 0.000 1.166 133 Y CA -1.913 55.414 58.100 -1.288 0.000 1.209 133 Y CB -0.487 37.520 38.460 -0.756 0.000 1.161 133 Y HN 0.239 nan 8.280 nan 0.000 0.534 134 D N 0.436 120.677 120.400 -0.264 0.000 2.346 134 D HA 0.167 4.807 4.640 -0.000 0.000 0.260 134 D C 1.390 177.586 176.300 -0.173 0.000 1.252 134 D CA 0.266 54.196 54.000 -0.116 0.000 0.895 134 D CB 1.181 42.022 40.800 0.068 0.000 1.097 134 D HN 0.442 nan 8.370 nan 0.000 0.489 135 G N 3.852 112.107 108.800 -0.909 0.000 3.026 135 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.208 135 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.208 135 G C 1.430 175.924 174.900 -0.677 0.000 1.169 135 G CA 0.205 44.814 45.100 -0.819 0.000 0.788 135 G HN 0.609 nan 8.290 nan 0.000 0.533 136 R N -0.503 119.642 120.500 -0.591 0.000 2.083 136 R HA -0.064 4.276 4.340 -0.000 0.000 0.237 136 R C 1.771 177.863 176.300 -0.346 0.000 1.137 136 R CA 1.536 57.412 56.100 -0.374 0.000 0.951 136 R CB -0.785 29.249 30.300 -0.444 0.000 0.851 136 R HN 0.306 nan 8.270 nan 0.000 0.434 137 F N 1.169 121.052 119.950 -0.111 0.000 2.113 137 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 137 F C 2.294 178.027 175.800 -0.112 0.000 1.103 137 F CA 0.628 58.569 58.000 -0.098 0.000 1.248 137 F CB -0.781 38.150 39.000 -0.116 0.000 0.999 137 F HN -0.007 nan 8.300 nan 0.000 0.475 138 L N 0.324 121.568 121.223 0.036 0.000 2.042 138 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 138 L C 2.162 179.000 176.870 -0.054 0.000 1.076 138 L CA 1.481 56.272 54.840 -0.082 0.000 0.749 138 L CB -0.795 41.115 42.059 -0.248 0.000 0.893 138 L HN 0.015 nan 8.230 nan 0.000 0.432 139 V N -0.657 119.234 119.914 -0.039 0.000 2.427 139 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 139 V C 2.565 178.684 176.094 0.041 0.000 1.051 139 V CA 1.664 63.982 62.300 0.030 0.000 1.048 139 V CB -0.680 31.210 31.823 0.112 0.000 0.666 139 V HN 0.552 nan 8.190 nan 0.000 0.456 140 Q N 0.233 120.045 119.800 0.019 0.000 2.123 140 Q HA -0.106 4.234 4.340 -0.000 0.000 0.199 140 Q C 2.226 178.242 176.000 0.027 0.000 0.966 140 Q CA 2.028 57.845 55.803 0.023 0.000 0.845 140 Q CB -0.166 28.562 28.738 -0.017 0.000 0.907 140 Q HN 0.597 nan 8.270 nan 0.000 0.439 141 A N 0.603 123.437 122.820 0.023 0.000 1.874 141 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 141 A C 1.613 179.199 177.584 0.005 0.000 1.189 141 A CA 1.091 53.136 52.037 0.014 0.000 0.615 141 A CB -0.067 18.938 19.000 0.008 0.000 0.830 141 A HN 0.244 nan 8.150 nan 0.000 0.443 142 E N -1.181 119.018 120.200 -0.001 0.000 2.476 142 E HA 0.133 4.483 4.350 -0.000 0.000 0.196 142 E C 0.064 176.671 176.600 0.012 0.000 1.029 142 E CA -0.185 56.213 56.400 -0.002 0.000 0.896 142 E CB 0.114 29.805 29.700 -0.015 0.000 1.012 142 E HN 0.467 nan 8.360 nan 0.000 0.475 143 R N 1.282 121.798 120.500 0.026 0.000 3.322 143 R HA -0.164 4.176 4.340 -0.000 0.000 0.253 143 R C -0.356 175.973 176.300 0.048 0.000 0.987 143 R CA 1.100 57.227 56.100 0.044 0.000 0.666 143 R CB -1.976 28.349 30.300 0.041 0.000 1.072 143 R HN 0.320 nan 8.270 nan 0.000 0.447 144 T N -4.195 110.387 114.554 0.046 0.000 2.940 144 T HA 0.710 5.060 4.350 -0.000 0.000 0.288 144 T C 0.209 174.964 174.700 0.091 0.000 1.045 144 T CA -0.807 61.324 62.100 0.051 0.000 1.018 144 T CB 1.971 70.850 68.868 0.019 0.000 1.151 144 T HN -0.025 nan 8.240 nan 0.000 0.529 145 V N 2.167 122.145 119.914 0.107 0.000 2.567 145 V HA 0.536 4.656 4.120 -0.000 0.000 0.289 145 V C -0.301 175.897 176.094 0.173 0.000 1.049 145 V CA -0.905 61.488 62.300 0.155 0.000 0.969 145 V CB 1.220 33.135 31.823 0.152 0.000 0.995 145 V HN 0.787 nan 8.190 nan 0.000 0.471 146 L N 5.894 127.272 121.223 0.259 0.000 2.409 146 L HA 0.722 5.062 4.340 -0.000 0.000 0.272 146 L C -0.912 176.231 176.870 0.455 0.000 0.980 146 L CA -0.267 54.773 54.840 0.333 0.000 0.826 146 L CB 2.001 44.240 42.059 0.300 0.000 1.268 146 L HN 0.481 nan 8.230 nan 0.000 0.407 147 V N 3.449 123.613 119.914 0.416 0.000 2.735 147 V HA 0.756 4.876 4.120 -0.000 0.000 0.310 147 V C -0.208 176.156 176.094 0.449 0.000 1.061 147 V CA -0.503 62.016 62.300 0.364 0.000 0.913 147 V CB 2.172 34.128 31.823 0.221 0.000 1.005 147 V HN 0.921 nan 8.190 nan 0.000 0.428 148 S N 5.119 121.094 115.700 0.460 0.000 2.540 148 S HA 0.906 5.376 4.470 -0.000 0.000 0.275 148 S C -0.928 173.873 174.600 0.335 0.000 1.123 148 S CA -0.769 57.719 58.200 0.480 0.000 0.907 148 S CB 2.326 65.952 63.200 0.709 0.000 1.081 148 S HN 0.982 nan 8.310 nan 0.000 0.476 149 M N 1.455 121.219 119.600 0.273 0.000 2.572 149 M HA 0.659 5.139 4.480 -0.000 0.000 0.299 149 M C -1.974 174.566 176.300 0.400 0.000 1.205 149 M CA -0.544 54.917 55.300 0.268 0.000 0.876 149 M CB 1.268 33.888 32.600 0.033 0.000 1.728 149 M HN 0.581 nan 8.290 nan 0.000 0.458 150 N N 2.317 121.299 118.700 0.471 0.000 2.509 150 N HA 0.669 5.409 4.740 -0.000 0.000 0.287 150 N C -1.552 174.209 175.510 0.419 0.000 1.121 150 N CA 0.122 53.445 53.050 0.455 0.000 0.977 150 N CB 0.738 39.422 38.487 0.327 0.000 1.167 150 N HN 0.700 nan 8.380 nan 0.000 0.476 151 Y N -1.829 118.648 120.300 0.294 0.000 2.504 151 Y HA 0.549 5.099 4.550 -0.000 0.000 0.344 151 Y C 0.034 176.063 175.900 0.216 0.000 1.023 151 Y CA -1.305 56.915 58.100 0.200 0.000 1.020 151 Y CB 0.856 39.373 38.460 0.096 0.000 1.282 151 Y HN 0.210 nan 8.280 nan 0.000 0.454 152 R N 1.800 122.439 120.500 0.232 0.000 2.638 152 R HA 0.394 4.734 4.340 -0.000 0.000 0.268 152 R C -0.207 176.268 176.300 0.291 0.000 1.006 152 R CA 0.415 56.618 56.100 0.173 0.000 1.088 152 R CB 0.486 30.846 30.300 0.100 0.000 0.950 152 R HN 0.734 nan 8.270 nan 0.000 0.419 153 V N -0.781 119.340 119.914 0.345 0.000 3.156 153 V HA 0.882 5.002 4.120 -0.000 0.000 0.311 153 V C 0.589 177.021 176.094 0.562 0.000 1.208 153 V CA -0.266 62.359 62.300 0.543 0.000 1.063 153 V CB 1.174 33.232 31.823 0.392 0.000 1.098 153 V HN 1.002 nan 8.190 nan 0.000 0.452 154 G N 0.281 109.446 108.800 0.609 0.000 2.598 154 G HA2 0.056 4.016 3.960 -0.000 0.000 0.269 154 G HA3 0.056 4.016 3.960 -0.000 0.000 0.269 154 G C 1.047 176.107 174.900 0.267 0.000 1.289 154 G CA 1.153 46.549 45.100 0.494 0.000 0.926 154 G HN 2.316 nan 8.290 nan 0.000 0.567 155 A N -1.224 121.477 122.820 -0.199 0.000 1.917 155 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 155 A C 2.264 179.721 177.584 -0.211 0.000 1.182 155 A CA 2.726 54.329 52.037 -0.723 0.000 0.633 155 A CB -0.592 17.867 19.000 -0.901 0.000 0.819 155 A HN 1.044 nan 8.150 nan 0.000 0.448 156 F N -0.051 119.955 119.950 0.094 0.000 2.250 156 F HA -0.047 4.480 4.527 -0.000 0.000 0.301 156 F C 2.469 178.281 175.800 0.020 0.000 1.077 156 F CA 1.044 59.063 58.000 0.032 0.000 1.348 156 F CB -0.518 38.473 39.000 -0.015 0.000 1.040 156 F HN 0.308 nan 8.300 nan 0.000 0.509 157 G N -1.876 107.031 108.800 0.178 0.000 2.673 157 G HA2 0.035 3.995 3.960 -0.000 0.000 0.208 157 G HA3 0.035 3.995 3.960 -0.000 0.000 0.208 157 G C 0.894 175.387 174.900 -0.678 0.000 1.128 157 G CA 0.166 45.145 45.100 -0.202 0.000 0.805 157 G HN 0.350 nan 8.290 nan 0.000 0.526 158 F N -0.208 119.814 119.950 0.120 0.000 2.856 158 F HA 0.439 4.966 4.527 -0.000 0.000 0.338 158 F C 0.539 176.335 175.800 -0.006 0.000 1.100 158 F CA -0.910 57.128 58.000 0.064 0.000 1.150 158 F CB 0.367 39.424 39.000 0.096 0.000 1.101 158 F HN -0.082 nan 8.300 nan 0.000 0.548 159 L N 2.320 123.461 121.223 -0.136 0.000 2.578 159 L HA 0.419 4.759 4.340 -0.000 0.000 0.279 159 L C -0.028 176.743 176.870 -0.165 0.000 1.227 159 L CA -0.010 54.605 54.840 -0.375 0.000 0.900 159 L CB 0.366 41.945 42.059 -0.801 0.000 1.144 159 L HN 0.152 nan 8.230 nan 0.000 0.496 160 A N 5.677 128.479 122.820 -0.030 0.000 2.414 160 A HA 0.706 5.026 4.320 -0.000 0.000 0.306 160 A C -1.200 176.352 177.584 -0.053 0.000 1.054 160 A CA -0.594 51.417 52.037 -0.042 0.000 0.724 160 A CB 1.565 20.583 19.000 0.029 0.000 1.267 160 A HN 0.585 nan 8.150 nan 0.000 0.418 161 L N 2.846 124.024 121.223 -0.075 0.000 2.556 161 L HA 0.371 4.711 4.340 -0.000 0.000 0.243 161 L C -2.482 174.368 176.870 -0.034 0.000 1.331 161 L CA -1.874 52.930 54.840 -0.060 0.000 0.927 161 L CB 0.587 42.592 42.059 -0.090 0.000 1.219 161 L HN 0.370 nan 8.230 nan 0.000 0.490 162 P HA 0.079 nan 4.420 nan 0.000 0.257 162 P C 1.023 178.319 177.300 -0.006 0.000 1.144 162 P CA 1.559 64.656 63.100 -0.005 0.000 0.761 162 P CB 0.461 32.159 31.700 -0.003 0.000 0.734 163 G N 1.986 110.786 108.800 0.000 0.000 2.345 163 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 163 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 163 G C 0.526 175.426 174.900 -0.001 0.000 1.058 163 G CA 0.209 45.309 45.100 0.001 0.000 0.632 163 G HN 0.857 nan 8.290 nan 0.000 0.508 164 S N 0.235 115.930 115.700 -0.008 0.000 2.589 164 S HA 0.550 5.020 4.470 -0.000 0.000 0.265 164 S C 1.238 175.838 174.600 0.000 0.000 1.342 164 S CA 0.788 58.982 58.200 -0.009 0.000 1.005 164 S CB 1.443 64.628 63.200 -0.025 0.000 0.909 164 S HN 0.507 nan 8.310 nan 0.000 0.555 165 R N -0.066 120.437 120.500 0.006 0.000 2.206 165 R HA 0.127 4.467 4.340 -0.000 0.000 0.198 165 R C 1.605 177.919 176.300 0.023 0.000 0.986 165 R CA 0.225 56.335 56.100 0.016 0.000 1.029 165 R CB -0.028 30.282 30.300 0.018 0.000 0.966 165 R HN 0.653 nan 8.270 nan 0.000 0.487 166 E N 0.337 120.548 120.200 0.017 0.000 2.158 166 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 166 E C 0.182 176.806 176.600 0.040 0.000 0.982 166 E CA 0.665 57.087 56.400 0.036 0.000 0.823 166 E CB 0.438 30.156 29.700 0.029 0.000 0.766 166 E HN 0.164 nan 8.360 nan 0.000 0.468 167 A N 1.505 124.313 122.820 -0.021 0.000 3.266 167 A HA 0.292 4.612 4.320 -0.000 0.000 0.310 167 A C -1.971 175.578 177.584 -0.058 0.000 1.066 167 A CA -0.942 51.049 52.037 -0.077 0.000 0.839 167 A CB 0.714 19.545 19.000 -0.280 0.000 1.192 167 A HN -0.110 nan 8.150 nan 0.000 0.496 168 P HA 0.072 nan 4.420 nan 0.000 0.219 168 P C 0.940 178.245 177.300 0.009 0.000 1.150 168 P CA 1.972 65.076 63.100 0.007 0.000 0.814 168 P CB 0.181 31.899 31.700 0.029 0.000 0.787 169 G N 0.335 109.136 108.800 0.001 0.000 2.707 169 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 169 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 169 G C -0.190 174.712 174.900 0.002 0.000 1.315 169 G CA -0.273 44.833 45.100 0.011 0.000 0.832 169 G HN 0.175 nan 8.290 nan 0.000 0.573 170 N N -2.336 116.367 118.700 0.006 0.000 2.708 170 N HA -0.275 4.465 4.740 -0.000 0.000 0.251 170 N C 1.849 177.249 175.510 -0.183 0.000 1.123 170 N CA 2.349 55.359 53.050 -0.066 0.000 0.739 170 N CB -1.658 36.767 38.487 -0.103 0.000 1.113 170 N HN 1.934 nan 8.380 nan 0.000 0.561 171 V N -2.911 116.873 119.914 -0.216 0.000 2.759 171 V HA 0.029 4.149 4.120 -0.000 0.000 0.256 171 V C 2.247 178.229 176.094 -0.187 0.000 1.080 171 V CA 2.144 64.367 62.300 -0.128 0.000 1.101 171 V CB -0.732 31.053 31.823 -0.063 0.000 0.698 171 V HN 0.281 nan 8.190 nan 0.000 0.477 172 G N 0.643 109.129 108.800 -0.523 0.000 2.408 172 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 172 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 172 G C 1.511 176.386 174.900 -0.042 0.000 1.150 172 G CA 1.073 45.979 45.100 -0.323 0.000 0.776 172 G HN 0.543 nan 8.290 nan 0.000 0.542 173 L N 0.016 121.178 121.223 -0.102 0.000 2.217 173 L HA 0.104 4.444 4.340 -0.000 0.000 0.211 173 L C 2.716 179.643 176.870 0.096 0.000 1.107 173 L CA 0.263 55.026 54.840 -0.127 0.000 0.783 173 L CB -0.237 41.433 42.059 -0.648 0.000 0.919 173 L HN 0.167 nan 8.230 nan 0.000 0.442 174 L N -0.651 120.634 121.223 0.104 0.000 2.217 174 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 174 L C 2.058 179.051 176.870 0.206 0.000 1.107 174 L CA 0.715 55.679 54.840 0.207 0.000 0.783 174 L CB -0.537 41.620 42.059 0.164 0.000 0.919 174 L HN 0.295 nan 8.230 nan 0.000 0.442 175 D N 0.055 120.570 120.400 0.191 0.000 2.084 175 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 175 D C 2.222 178.665 176.300 0.238 0.000 0.985 175 D CA 1.068 55.250 54.000 0.303 0.000 0.826 175 D CB -0.225 40.775 40.800 0.334 0.000 0.978 175 D HN 0.345 nan 8.370 nan 0.000 0.456 176 Q N 0.395 120.283 119.800 0.147 0.000 2.096 176 Q HA -0.216 4.124 4.340 -0.000 0.000 0.208 176 Q C 2.316 178.300 176.000 -0.026 0.000 0.993 176 Q CA 1.470 57.279 55.803 0.010 0.000 0.862 176 Q CB -0.169 28.570 28.738 0.001 0.000 0.915 176 Q HN 0.213 nan 8.270 nan 0.000 0.416 177 R N 0.579 121.166 120.500 0.145 0.000 2.073 177 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 177 R C 2.273 178.619 176.300 0.077 0.000 1.134 177 R CA 1.229 57.408 56.100 0.131 0.000 0.952 177 R CB -0.322 30.159 30.300 0.303 0.000 0.850 177 R HN 0.249 nan 8.270 nan 0.000 0.433 178 L N 0.899 122.195 121.223 0.121 0.000 2.127 178 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 178 L C 2.230 179.099 176.870 -0.002 0.000 1.089 178 L CA 2.105 57.033 54.840 0.148 0.000 0.757 178 L CB -0.549 41.694 42.059 0.305 0.000 0.899 178 L HN 0.301 nan 8.230 nan 0.000 0.434 179 A N -0.929 121.693 122.820 -0.329 0.000 1.929 179 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 179 A C 2.214 179.722 177.584 -0.127 0.000 1.176 179 A CA 1.588 53.257 52.037 -0.615 0.000 0.628 179 A CB -0.709 17.734 19.000 -0.927 0.000 0.816 179 A HN 0.476 nan 8.150 nan 0.000 0.444 180 L N -0.752 120.425 121.223 -0.078 0.000 2.141 180 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 180 L C 2.785 179.704 176.870 0.081 0.000 1.094 180 L CA 1.283 56.126 54.840 0.004 0.000 0.763 180 L CB -0.436 41.590 42.059 -0.056 0.000 0.908 180 L HN 0.471 nan 8.230 nan 0.000 0.437 181 Q N -1.434 118.420 119.800 0.091 0.000 2.123 181 Q HA -0.237 4.103 4.340 -0.000 0.000 0.199 181 Q C 1.990 178.072 176.000 0.138 0.000 0.966 181 Q CA 1.650 57.515 55.803 0.104 0.000 0.845 181 Q CB -0.251 28.552 28.738 0.108 0.000 0.907 181 Q HN 0.572 nan 8.270 nan 0.000 0.439 182 W N 0.676 121.978 121.300 0.003 0.000 2.363 182 W HA -0.185 4.475 4.660 -0.000 0.000 0.296 182 W C 1.720 178.268 176.519 0.049 0.000 1.212 182 W CA 1.097 58.467 57.345 0.041 0.000 1.260 182 W CB 0.082 29.558 29.460 0.027 0.000 1.131 182 W HN -0.166 nan 8.180 nan 0.000 0.530 183 V N 0.918 121.060 119.914 0.379 0.000 2.515 183 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 183 V C 2.459 178.592 176.094 0.065 0.000 1.058 183 V CA 1.831 64.294 62.300 0.272 0.000 1.064 183 V CB -0.819 31.153 31.823 0.249 0.000 0.675 183 V HN 0.210 nan 8.190 nan 0.000 0.461 184 Q N 0.427 120.251 119.800 0.041 0.000 2.119 184 Q HA -0.199 4.141 4.340 -0.000 0.000 0.201 184 Q C 2.233 178.199 176.000 -0.057 0.000 0.972 184 Q CA 1.913 57.723 55.803 0.012 0.000 0.847 184 Q CB -0.150 28.602 28.738 0.025 0.000 0.903 184 Q HN 0.946 nan 8.270 nan 0.000 0.433 185 E N -1.071 119.046 120.200 -0.138 0.000 2.400 185 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 185 E C 1.050 177.476 176.600 -0.290 0.000 1.012 185 E CA 0.371 56.658 56.400 -0.188 0.000 0.875 185 E CB 0.177 29.765 29.700 -0.186 0.000 0.859 185 E HN 0.156 nan 8.360 nan 0.000 0.498 186 N N 0.550 118.979 118.700 -0.451 0.000 2.317 186 N HA 0.003 4.743 4.740 -0.000 0.000 0.199 186 N C 1.689 177.106 175.510 -0.155 0.000 1.145 186 N CA 0.259 53.001 53.050 -0.513 0.000 0.882 186 N CB 0.739 38.480 38.487 -1.245 0.000 1.113 186 N HN -0.007 nan 8.380 nan 0.000 0.486 187 V N 2.051 121.956 119.914 -0.015 0.000 2.546 187 V HA -0.216 3.904 4.120 -0.000 0.000 0.254 187 V C 2.225 178.448 176.094 0.215 0.000 1.076 187 V CA 2.065 64.505 62.300 0.234 0.000 1.087 187 V CB -0.620 31.310 31.823 0.179 0.000 0.674 187 V HN 0.299 nan 8.190 nan 0.000 0.470 188 A N -0.497 122.357 122.820 0.056 0.000 2.019 188 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 188 A C 2.393 179.946 177.584 -0.052 0.000 1.164 188 A CA 1.798 53.840 52.037 0.007 0.000 0.644 188 A CB -0.727 18.252 19.000 -0.036 0.000 0.805 188 A HN 0.778 nan 8.150 nan 0.000 0.449 189 A N -1.064 121.664 122.820 -0.153 0.000 2.019 189 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 189 A C 1.418 178.701 177.584 -0.501 0.000 1.164 189 A CA 1.245 53.039 52.037 -0.404 0.000 0.644 189 A CB -0.624 17.979 19.000 -0.663 0.000 0.805 189 A HN 0.523 nan 8.150 nan 0.000 0.449 190 F N -1.004 118.893 119.950 -0.089 0.000 2.641 190 F HA 0.426 4.953 4.527 -0.000 0.000 0.302 190 F C 1.657 177.453 175.800 -0.008 0.000 1.098 190 F CA 0.248 58.208 58.000 -0.067 0.000 1.318 190 F CB -0.016 38.948 39.000 -0.060 0.000 1.035 190 F HN 0.291 nan 8.300 nan 0.000 0.551 191 G N 0.336 109.200 108.800 0.107 0.000 2.143 191 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.249 191 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.249 191 G C 0.597 175.554 174.900 0.096 0.000 0.981 191 G CA -0.231 44.916 45.100 0.078 0.000 0.665 191 G HN 0.764 nan 8.290 nan 0.000 0.528 192 G N -0.528 108.351 108.800 0.133 0.000 2.420 192 G HA2 0.483 4.443 3.960 -0.000 0.000 0.284 192 G HA3 0.483 4.443 3.960 -0.000 0.000 0.284 192 G C -0.692 174.254 174.900 0.078 0.000 1.177 192 G CA 0.215 45.386 45.100 0.118 0.000 0.841 192 G HN 0.229 nan 8.290 nan 0.000 0.527 193 D N 1.816 122.254 120.400 0.062 0.000 2.443 193 D HA 0.269 4.909 4.640 -0.000 0.000 0.221 193 D C -0.995 175.338 176.300 0.054 0.000 1.097 193 D CA -2.399 51.621 54.000 0.035 0.000 0.865 193 D CB 1.771 42.574 40.800 0.003 0.000 1.034 193 D HN 0.092 nan 8.370 nan 0.000 0.511 194 P HA -0.115 nan 4.420 nan 0.000 0.231 194 P C 0.848 178.253 177.300 0.175 0.000 1.158 194 P CA 0.852 64.021 63.100 0.115 0.000 0.763 194 P CB -0.025 31.720 31.700 0.074 0.000 0.805 195 T N -4.996 109.571 114.554 0.023 0.000 3.107 195 T HA 0.156 4.506 4.350 -0.000 0.000 0.249 195 T C 0.778 175.088 174.700 -0.651 0.000 1.096 195 T CA -0.136 61.859 62.100 -0.175 0.000 1.012 195 T CB -0.490 68.290 68.868 -0.146 0.000 0.977 195 T HN 0.009 nan 8.240 nan 0.000 0.527 196 S N 0.895 116.440 115.700 -0.258 0.000 2.440 196 S HA 0.512 4.982 4.470 -0.000 0.000 0.142 196 S C -0.937 173.750 174.600 0.145 0.000 1.578 196 S CA -0.570 57.521 58.200 -0.182 0.000 1.260 196 S CB 0.136 63.253 63.200 -0.139 0.000 1.407 196 S HN 0.240 nan 8.310 nan 0.000 0.392 197 V N 3.182 123.400 119.914 0.506 0.000 2.398 197 V HA 0.585 4.705 4.120 -0.000 0.000 0.286 197 V C 0.144 176.420 176.094 0.303 0.000 1.026 197 V CA -0.401 62.097 62.300 0.331 0.000 0.868 197 V CB 1.754 33.747 31.823 0.284 0.000 0.982 197 V HN 0.668 nan 8.190 nan 0.000 0.443 198 T N 6.425 121.101 114.554 0.204 0.000 2.809 198 T HA 0.569 4.919 4.350 -0.000 0.000 0.284 198 T C -0.351 174.488 174.700 0.231 0.000 0.992 198 T CA -0.352 61.863 62.100 0.192 0.000 0.957 198 T CB 0.875 69.782 68.868 0.066 0.000 0.942 198 T HN 0.339 nan 8.240 nan 0.000 0.439 199 L N 4.870 126.224 121.223 0.218 0.000 2.312 199 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 199 L C -0.566 176.517 176.870 0.356 0.000 1.070 199 L CA -0.873 54.076 54.840 0.182 0.000 0.805 199 L CB 0.613 42.573 42.059 -0.166 0.000 1.174 199 L HN 0.644 nan 8.230 nan 0.000 0.434 200 F N 0.713 120.745 119.950 0.136 0.000 2.581 200 F HA 0.922 5.449 4.527 -0.000 0.000 0.311 200 F C -0.387 175.468 175.800 0.091 0.000 1.113 200 F CA -1.332 56.808 58.000 0.234 0.000 0.935 200 F CB 1.474 40.734 39.000 0.433 0.000 1.232 200 F HN 0.435 nan 8.300 nan 0.000 0.445 201 G N 1.619 110.293 108.800 -0.210 0.000 2.660 201 G HA2 0.524 4.484 3.960 -0.000 0.000 0.290 201 G HA3 0.524 4.484 3.960 -0.000 0.000 0.290 201 G C -2.443 172.213 174.900 -0.406 0.000 1.432 201 G CA -0.792 43.771 45.100 -0.895 0.000 0.807 201 G HN 0.838 nan 8.290 nan 0.000 0.485 202 E N 0.117 120.020 120.200 -0.496 0.000 2.266 202 E HA 0.625 4.975 4.350 -0.000 0.000 0.268 202 E C 0.572 177.104 176.600 -0.114 0.000 0.879 202 E CA 0.222 56.575 56.400 -0.078 0.000 0.762 202 E CB 2.197 31.992 29.700 0.159 0.000 1.199 202 E HN 0.824 nan 8.360 nan 0.000 0.422 203 S N 2.586 118.293 115.700 0.012 0.000 4.114 203 S HA -0.386 4.084 4.470 -0.000 0.000 0.618 203 S C 1.438 176.097 174.600 0.098 0.000 1.937 203 S CA 2.087 60.348 58.200 0.102 0.000 4.228 203 S CB -1.608 61.581 63.200 -0.017 0.000 0.216 203 S HN 0.986 nan 8.310 nan 0.000 0.528 204 A N 0.971 123.720 122.820 -0.118 0.000 2.019 204 A HA 0.171 4.490 4.320 -0.000 0.000 0.219 204 A C 2.421 179.784 177.584 -0.369 0.000 1.164 204 A CA 2.345 54.194 52.037 -0.313 0.000 0.644 204 A CB -1.488 16.912 19.000 -1.000 0.000 0.805 204 A HN 1.575 nan 8.150 nan 0.000 0.449 205 G N -0.710 107.889 108.800 -0.336 0.000 2.422 205 G HA2 0.076 4.036 3.960 -0.000 0.000 0.218 205 G HA3 0.076 4.036 3.960 -0.000 0.000 0.218 205 G C 1.657 176.381 174.900 -0.295 0.000 1.140 205 G CA 1.172 46.015 45.100 -0.427 0.000 0.775 205 G HN 0.727 nan 8.290 nan 0.000 0.545 206 A N 1.197 123.928 122.820 -0.147 0.000 1.897 206 A HA 0.374 4.694 4.320 -0.000 0.000 0.215 206 A C 2.807 180.393 177.584 0.004 0.000 1.181 206 A CA 1.962 53.977 52.037 -0.035 0.000 0.620 206 A CB -0.763 18.278 19.000 0.068 0.000 0.821 206 A HN 0.686 nan 8.150 nan 0.000 0.443 207 A N -0.149 122.712 122.820 0.068 0.000 1.883 207 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 207 A C 2.452 180.058 177.584 0.037 0.000 1.186 207 A CA 2.245 54.326 52.037 0.073 0.000 0.624 207 A CB -0.971 18.152 19.000 0.205 0.000 0.822 207 A HN 0.468 nan 8.150 nan 0.000 0.444 208 S N -0.378 115.328 115.700 0.010 0.000 2.353 208 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 208 S C 1.905 176.505 174.600 0.000 0.000 1.035 208 S CA 1.449 59.626 58.200 -0.038 0.000 1.025 208 S CB -0.763 62.339 63.200 -0.163 0.000 0.902 208 S HN 0.339 nan 8.310 nan 0.000 0.440 209 V N 1.904 121.803 119.914 -0.024 0.000 2.278 209 V HA -0.267 3.853 4.120 -0.000 0.000 0.251 209 V C 2.639 178.738 176.094 0.010 0.000 1.062 209 V CA 2.163 64.444 62.300 -0.032 0.000 1.038 209 V CB -1.591 30.194 31.823 -0.064 0.000 0.646 209 V HN 0.629 nan 8.190 nan 0.000 0.447 210 G N -1.315 107.491 108.800 0.011 0.000 2.442 210 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 210 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 210 G C 1.597 176.534 174.900 0.062 0.000 1.141 210 G CA 1.162 46.278 45.100 0.026 0.000 0.763 210 G HN 0.467 nan 8.290 nan 0.000 0.554 211 M N -0.326 119.292 119.600 0.029 0.000 2.229 211 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 211 M C 2.259 178.655 176.300 0.160 0.000 1.063 211 M CA 0.818 56.160 55.300 0.069 0.000 1.114 211 M CB -0.225 32.347 32.600 -0.048 0.000 1.387 211 M HN 0.206 nan 8.290 nan 0.000 0.420 212 H N -0.117 119.064 119.070 0.186 0.000 2.462 212 H HA 0.007 4.563 4.556 -0.000 0.000 0.292 212 H C 2.115 177.615 175.328 0.287 0.000 1.049 212 H CA 1.151 57.314 56.048 0.191 0.000 1.334 212 H CB -0.071 29.645 29.762 -0.076 0.000 1.404 212 H HN 0.384 nan 8.280 nan 0.000 0.544 213 L N 0.303 121.742 121.223 0.360 0.000 2.156 213 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 213 L C 1.822 178.888 176.870 0.327 0.000 1.095 213 L CA 0.709 55.810 54.840 0.437 0.000 0.770 213 L CB -0.010 42.230 42.059 0.301 0.000 0.914 213 L HN 0.173 nan 8.230 nan 0.000 0.439 214 L N -1.842 119.525 121.223 0.239 0.000 2.592 214 L HA 0.087 4.427 4.340 -0.000 0.000 0.227 214 L C 0.858 177.785 176.870 0.095 0.000 1.127 214 L CA -0.077 54.872 54.840 0.181 0.000 0.884 214 L CB 0.225 42.377 42.059 0.154 0.000 1.065 214 L HN -0.002 nan 8.230 nan 0.000 0.457 215 S N -0.080 115.657 115.700 0.062 0.000 2.532 215 S HA 0.325 4.795 4.470 -0.000 0.000 0.318 215 S C -1.629 172.911 174.600 -0.100 0.000 1.083 215 S CA -1.584 56.527 58.200 -0.148 0.000 1.131 215 S CB 1.063 63.917 63.200 -0.577 0.000 0.973 215 S HN -0.118 nan 8.310 nan 0.000 0.468 216 P HA -0.170 nan 4.420 nan 0.000 0.221 216 P C -1.638 175.627 177.300 -0.059 0.000 1.160 216 P CA 1.785 64.847 63.100 -0.062 0.000 0.933 216 P CB -0.781 30.877 31.700 -0.070 0.000 0.793 217 P HA -0.107 nan 4.420 nan 0.000 0.217 217 P C 1.384 178.685 177.300 0.002 0.000 1.148 217 P CA 1.729 64.791 63.100 -0.062 0.000 0.828 217 P CB -0.472 31.166 31.700 -0.104 0.000 0.783 218 S N -1.215 114.512 115.700 0.044 0.000 2.496 218 S HA 0.014 4.484 4.470 -0.000 0.000 0.224 218 S C 1.746 176.489 174.600 0.238 0.000 0.996 218 S CA 0.345 58.676 58.200 0.218 0.000 0.927 218 S CB -0.397 63.071 63.200 0.446 0.000 0.774 218 S HN 0.063 nan 8.310 nan 0.000 0.524 219 R N 1.516 122.067 120.500 0.085 0.000 2.127 219 R HA -0.021 4.319 4.340 -0.000 0.000 0.238 219 R C 2.047 178.196 176.300 -0.251 0.000 1.134 219 R CA 1.130 57.161 56.100 -0.115 0.000 0.975 219 R CB -1.306 28.937 30.300 -0.095 0.000 0.865 219 R HN 0.466 nan 8.270 nan 0.000 0.447 220 G N -0.376 108.353 108.800 -0.118 0.000 3.181 220 G HA2 0.090 4.050 3.960 -0.000 0.000 0.219 220 G HA3 0.090 4.050 3.960 -0.000 0.000 0.219 220 G C 1.061 175.891 174.900 -0.116 0.000 1.182 220 G CA -0.220 44.804 45.100 -0.126 0.000 0.791 220 G HN 0.208 nan 8.290 nan 0.000 0.537 221 L N -0.501 120.682 121.223 -0.067 0.000 2.693 221 L HA 0.421 4.761 4.340 -0.000 0.000 0.235 221 L C 0.117 177.035 176.870 0.080 0.000 1.127 221 L CA -0.275 54.592 54.840 0.045 0.000 0.914 221 L CB -0.039 42.108 42.059 0.147 0.000 1.193 221 L HN 0.306 nan 8.230 nan 0.000 0.502 222 F N -4.226 115.514 119.950 -0.350 0.000 2.817 222 F HA 0.448 4.975 4.527 -0.000 0.000 0.317 222 F C 0.239 175.636 175.800 -0.671 0.000 1.168 222 F CA -1.059 56.688 58.000 -0.422 0.000 0.911 222 F CB 0.769 39.689 39.000 -0.132 0.000 1.337 222 F HN -0.147 nan 8.300 nan 0.000 0.464 223 H N -0.919 118.156 119.070 0.008 0.000 3.643 223 H HA 0.444 5.000 4.556 -0.000 0.000 0.256 223 H C -0.264 175.073 175.328 0.015 0.000 1.107 223 H CA -0.129 55.861 56.048 -0.096 0.000 1.175 223 H CB 1.068 30.794 29.762 -0.061 0.000 1.519 223 H HN 0.432 nan 8.280 nan 0.000 0.565 224 R N 0.434 121.106 120.500 0.287 0.000 2.799 224 R HA 0.756 5.096 4.340 -0.000 0.000 0.270 224 R C -1.325 175.220 176.300 0.408 0.000 1.010 224 R CA -0.771 55.467 56.100 0.230 0.000 0.916 224 R CB 2.827 33.066 30.300 -0.101 0.000 1.228 224 R HN 0.110 nan 8.270 nan 0.000 0.469 225 A N 0.985 124.059 122.820 0.423 0.000 2.515 225 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 225 A C -1.438 176.336 177.584 0.315 0.000 1.059 225 A CA -0.622 51.616 52.037 0.335 0.000 0.698 225 A CB 1.998 21.154 19.000 0.260 0.000 1.289 225 A HN 0.298 nan 8.150 nan 0.000 0.404 226 V N 2.168 122.215 119.914 0.222 0.000 2.525 226 V HA 0.480 4.600 4.120 -0.000 0.000 0.299 226 V C -1.200 174.987 176.094 0.155 0.000 1.034 226 V CA -0.273 62.097 62.300 0.116 0.000 0.863 226 V CB 1.337 33.226 31.823 0.110 0.000 0.999 226 V HN 0.698 nan 8.190 nan 0.000 0.423 227 L N 5.225 126.514 121.223 0.111 0.000 2.318 227 L HA 0.538 4.878 4.340 -0.000 0.000 0.277 227 L C 0.010 176.990 176.870 0.183 0.000 1.008 227 L CA 0.044 54.950 54.840 0.110 0.000 0.846 227 L CB 1.507 43.590 42.059 0.040 0.000 1.220 227 L HN 0.617 nan 8.230 nan 0.000 0.423 228 Q N 1.996 121.948 119.800 0.253 0.000 2.340 228 Q HA 0.423 4.763 4.340 -0.000 0.000 0.259 228 Q C 0.147 176.287 176.000 0.233 0.000 0.964 228 Q CA -0.561 55.450 55.803 0.348 0.000 0.900 228 Q CB 1.396 30.433 28.738 0.499 0.000 1.228 228 Q HN 0.614 nan 8.270 nan 0.000 0.449 229 S N 1.199 117.028 115.700 0.215 0.000 3.559 229 S HA -0.164 4.306 4.470 -0.000 0.000 0.369 229 S C 0.029 174.835 174.600 0.344 0.000 0.987 229 S CA 0.569 58.923 58.200 0.257 0.000 1.187 229 S CB -1.158 62.182 63.200 0.235 0.000 0.914 229 S HN 0.999 nan 8.310 nan 0.000 0.480 230 G N -1.086 107.876 108.800 0.270 0.000 2.442 230 G HA2 0.751 4.711 3.960 -0.000 0.000 0.296 230 G HA3 0.751 4.711 3.960 -0.000 0.000 0.296 230 G C -1.290 173.718 174.900 0.181 0.000 1.564 230 G CA 0.202 45.517 45.100 0.360 0.000 0.828 230 G HN 1.219 nan 8.290 nan 0.000 0.571 231 A N 1.527 124.416 122.820 0.115 0.000 2.594 231 A HA 0.930 5.250 4.320 -0.000 0.000 0.295 231 A C -2.156 175.328 177.584 -0.166 0.000 1.071 231 A CA -0.990 51.024 52.037 -0.038 0.000 0.685 231 A CB 2.152 21.106 19.000 -0.077 0.000 1.285 231 A HN 0.511 nan 8.150 nan 0.000 0.405 232 P HA -0.107 nan 4.420 nan 0.000 0.225 232 P C 0.282 177.429 177.300 -0.256 0.000 1.148 232 P CA 1.160 64.155 63.100 -0.175 0.000 0.779 232 P CB 0.023 31.673 31.700 -0.083 0.000 0.780 233 N N -0.287 118.262 118.700 -0.251 0.000 2.276 233 N HA 0.068 4.808 4.740 -0.000 0.000 0.212 233 N C 0.807 176.091 175.510 -0.376 0.000 1.127 233 N CA -0.159 52.737 53.050 -0.256 0.000 0.834 233 N CB -0.603 37.785 38.487 -0.164 0.000 1.014 233 N HN -0.076 nan 8.380 nan 0.000 0.491 234 G N 1.708 110.146 108.800 -0.603 0.000 2.527 234 G HA2 0.221 4.181 3.960 -0.000 0.000 0.248 234 G HA3 0.221 4.181 3.960 -0.000 0.000 0.248 234 G C -1.270 173.120 174.900 -0.851 0.000 1.231 234 G CA -1.034 43.563 45.100 -0.838 0.000 0.838 234 G HN 0.028 nan 8.290 nan 0.000 0.570 235 P HA -0.063 nan 4.420 nan 0.000 0.231 235 P C 0.948 178.054 177.300 -0.323 0.000 1.158 235 P CA 1.074 63.908 63.100 -0.442 0.000 0.763 235 P CB 0.101 31.546 31.700 -0.424 0.000 0.805 236 W N -1.884 119.283 121.300 -0.222 0.000 2.901 236 W HA 0.513 5.173 4.660 -0.000 0.000 0.281 236 W C 1.419 177.987 176.519 0.082 0.000 1.167 236 W CA 0.384 57.682 57.345 -0.078 0.000 1.506 236 W CB -1.076 28.363 29.460 -0.035 0.000 0.985 236 W HN -0.148 nan 8.180 nan 0.000 0.590 237 A N 1.952 124.301 122.820 -0.784 0.000 2.019 237 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 237 A C 1.293 178.693 177.584 -0.307 0.000 1.164 237 A CA 2.309 54.031 52.037 -0.525 0.000 0.644 237 A CB -0.947 17.547 19.000 -0.842 0.000 0.805 237 A HN 0.329 nan 8.150 nan 0.000 0.449 238 T N -5.566 108.821 114.554 -0.279 0.000 2.816 238 T HA 0.593 4.943 4.350 -0.000 0.000 0.299 238 T C -0.936 173.669 174.700 -0.158 0.000 1.230 238 T CA -0.257 61.702 62.100 -0.234 0.000 1.007 238 T CB 1.433 70.175 68.868 -0.210 0.000 1.289 238 T HN 0.623 nan 8.240 nan 0.000 0.508 239 V N -0.292 119.545 119.914 -0.129 0.000 3.078 239 V HA 0.857 4.977 4.120 -0.000 0.000 0.311 239 V C 0.490 176.541 176.094 -0.071 0.000 1.138 239 V CA -0.101 62.145 62.300 -0.090 0.000 1.007 239 V CB 2.037 33.815 31.823 -0.075 0.000 1.045 239 V HN 1.448 nan 8.190 nan 0.000 0.432 240 G N 2.526 111.292 108.800 -0.056 0.000 2.504 240 G HA2 0.417 4.377 3.960 -0.000 0.000 0.288 240 G HA3 0.417 4.377 3.960 -0.000 0.000 0.288 240 G C 0.626 175.508 174.900 -0.029 0.000 1.182 240 G CA -0.514 44.560 45.100 -0.042 0.000 0.894 240 G HN 0.792 nan 8.290 nan 0.000 0.521 241 M N 0.942 120.529 119.600 -0.021 0.000 2.106 241 M HA -0.100 4.380 4.480 -0.000 0.000 0.259 241 M C 2.710 179.002 176.300 -0.014 0.000 1.068 241 M CA 1.928 57.221 55.300 -0.013 0.000 1.100 241 M CB -0.478 32.116 32.600 -0.009 0.000 1.351 241 M HN 0.683 nan 8.290 nan 0.000 0.404 242 G N -0.036 108.753 108.800 -0.019 0.000 2.639 242 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 242 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 242 G C 1.357 176.244 174.900 -0.021 0.000 1.267 242 G CA 0.812 45.901 45.100 -0.019 0.000 0.801 242 G HN 0.351 nan 8.290 nan 0.000 0.592 243 E N 0.803 120.986 120.200 -0.029 0.000 2.147 243 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 243 E C 2.941 179.522 176.600 -0.030 0.000 1.005 243 E CA 1.196 57.574 56.400 -0.036 0.000 0.810 243 E CB -0.537 29.134 29.700 -0.047 0.000 0.736 243 E HN 0.309 nan 8.360 nan 0.000 0.460 244 A N 1.841 124.650 122.820 -0.018 0.000 1.873 244 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 244 A C 2.164 179.765 177.584 0.028 0.000 1.193 244 A CA 2.512 54.556 52.037 0.011 0.000 0.629 244 A CB -0.680 18.330 19.000 0.015 0.000 0.826 244 A HN 0.380 nan 8.150 nan 0.000 0.447 245 R N -0.791 119.714 120.500 0.008 0.000 2.236 245 R HA 0.071 4.411 4.340 -0.000 0.000 0.208 245 R C 2.123 178.425 176.300 0.004 0.000 1.036 245 R CA 0.984 57.087 56.100 0.005 0.000 1.001 245 R CB -0.366 29.929 30.300 -0.009 0.000 0.896 245 R HN 0.514 nan 8.270 nan 0.000 0.464 246 R N 1.239 121.736 120.500 -0.006 0.000 2.092 246 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 246 R C 1.923 178.216 176.300 -0.011 0.000 1.119 246 R CA 1.316 57.408 56.100 -0.015 0.000 0.970 246 R CB 0.037 30.322 30.300 -0.026 0.000 0.864 246 R HN 0.252 nan 8.270 nan 0.000 0.440 247 R N -0.329 120.164 120.500 -0.012 0.000 2.075 247 R HA 0.056 4.396 4.340 -0.000 0.000 0.226 247 R C 2.359 178.724 176.300 0.108 0.000 1.114 247 R CA 1.071 57.157 56.100 -0.023 0.000 0.972 247 R CB -0.244 29.957 30.300 -0.164 0.000 0.869 247 R HN 0.206 nan 8.270 nan 0.000 0.437 248 A N 0.581 123.497 122.820 0.161 0.000 1.933 248 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 248 A C 2.088 179.702 177.584 0.050 0.000 1.175 248 A CA 1.900 54.025 52.037 0.146 0.000 0.628 248 A CB -0.715 18.305 19.000 0.034 0.000 0.814 248 A HN 0.255 nan 8.150 nan 0.000 0.444 249 T N -0.737 113.836 114.554 0.032 0.000 2.857 249 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 249 T C 2.051 176.782 174.700 0.052 0.000 1.048 249 T CA 1.444 63.558 62.100 0.024 0.000 1.139 249 T CB -0.167 68.709 68.868 0.013 0.000 0.874 249 T HN 0.685 nan 8.240 nan 0.000 0.455 250 Q N 0.366 120.194 119.800 0.046 0.000 2.050 250 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 250 Q C 2.274 178.328 176.000 0.091 0.000 0.980 250 Q CA 1.233 57.065 55.803 0.047 0.000 0.840 250 Q CB -0.322 28.428 28.738 0.019 0.000 0.898 250 Q HN 0.370 nan 8.270 nan 0.000 0.424 251 L N 0.636 121.922 121.223 0.104 0.000 2.012 251 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 251 L C 2.292 179.167 176.870 0.007 0.000 1.073 251 L CA 2.298 57.193 54.840 0.091 0.000 0.748 251 L CB -0.901 41.266 42.059 0.180 0.000 0.891 251 L HN 0.321 nan 8.230 nan 0.000 0.431 252 A N -1.412 121.414 122.820 0.010 0.000 1.908 252 A HA -0.313 4.007 4.320 -0.000 0.000 0.218 252 A C 2.386 179.962 177.584 -0.013 0.000 1.181 252 A CA 1.888 53.912 52.037 -0.021 0.000 0.627 252 A CB -1.125 17.862 19.000 -0.021 0.000 0.818 252 A HN 0.747 nan 8.150 nan 0.000 0.445 253 H N 0.321 119.360 119.070 -0.052 0.000 2.267 253 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 253 H C 1.927 177.210 175.328 -0.074 0.000 1.080 253 H CA 2.103 58.124 56.048 -0.044 0.000 1.278 253 H CB -0.542 29.210 29.762 -0.018 0.000 1.365 253 H HN 0.394 nan 8.280 nan 0.000 0.489 254 L N 0.451 121.766 121.223 0.155 0.000 2.189 254 L HA -0.159 4.181 4.340 -0.000 0.000 0.214 254 L C 2.488 179.163 176.870 -0.324 0.000 1.097 254 L CA 0.887 55.719 54.840 -0.014 0.000 0.764 254 L CB -0.158 41.863 42.059 -0.064 0.000 0.900 254 L HN 0.136 nan 8.230 nan 0.000 0.436 255 V N -0.739 118.989 119.914 -0.311 0.000 3.647 255 V HA 0.239 4.359 4.120 -0.000 0.000 0.279 255 V C 1.360 177.351 176.094 -0.171 0.000 1.314 255 V CA 0.838 62.955 62.300 -0.305 0.000 1.125 255 V CB 0.117 31.786 31.823 -0.256 0.000 0.907 255 V HN 0.654 nan 8.190 nan 0.000 0.434 256 G N -0.121 108.574 108.800 -0.175 0.000 2.130 256 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 256 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 256 G C 0.016 174.853 174.900 -0.105 0.000 0.999 256 G CA -0.068 44.946 45.100 -0.142 0.000 0.686 256 G HN 0.477 nan 8.290 nan 0.000 0.515 257 c N 0.568 119.110 118.600 -0.096 0.000 2.417 257 c HA 0.724 5.294 4.570 -0.000 0.000 0.324 257 c C -1.537 172.526 174.090 -0.045 0.000 1.240 257 c CA -1.450 54.844 56.329 -0.058 0.000 1.632 257 c CB 1.879 44.364 42.510 -0.043 0.000 2.241 257 c HN 0.332 nan 8.230 nan 0.000 0.499 266 D N 1.176 121.566 120.400 -0.017 0.000 2.092 266 D HA -0.101 4.539 4.640 -0.000 0.000 0.193 266 D C 1.347 177.632 176.300 -0.025 0.000 0.994 266 D CA 1.869 55.852 54.000 -0.027 0.000 0.828 266 D CB 0.079 40.863 40.800 -0.028 0.000 0.963 266 D HN 0.605 nan 8.370 nan 0.000 0.450 267 T N 0.369 114.915 114.554 -0.013 0.000 2.665 267 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 267 T C 2.074 176.772 174.700 -0.003 0.000 1.035 267 T CA 2.508 64.605 62.100 -0.005 0.000 1.151 267 T CB -0.621 68.248 68.868 0.001 0.000 0.862 267 T HN 0.464 nan 8.240 nan 0.000 0.438 268 E N 0.974 121.171 120.200 -0.005 0.000 2.058 268 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 268 E C 2.052 178.647 176.600 -0.008 0.000 0.997 268 E CA 1.522 57.919 56.400 -0.004 0.000 0.801 268 E CB -1.103 28.594 29.700 -0.006 0.000 0.746 268 E HN 0.434 nan 8.360 nan 0.000 0.450 269 L N 0.238 121.449 121.223 -0.019 0.000 1.989 269 L HA -0.155 4.185 4.340 -0.000 0.000 0.211 269 L C 2.734 179.584 176.870 -0.033 0.000 1.071 269 L CA 1.952 56.774 54.840 -0.031 0.000 0.749 269 L CB -0.310 41.722 42.059 -0.046 0.000 0.890 269 L HN 0.294 nan 8.230 nan 0.000 0.431 270 V N -0.238 119.653 119.914 -0.039 0.000 2.295 270 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 270 V C 2.761 178.896 176.094 0.069 0.000 1.049 270 V CA 1.601 63.891 62.300 -0.016 0.000 1.024 270 V CB -1.396 30.412 31.823 -0.025 0.000 0.648 270 V HN 0.608 nan 8.190 nan 0.000 0.447 271 A N -0.754 122.093 122.820 0.044 0.000 1.903 271 A HA -0.363 3.957 4.320 -0.000 0.000 0.219 271 A C 2.458 180.069 177.584 0.045 0.000 1.191 271 A CA 2.527 54.592 52.037 0.046 0.000 0.638 271 A CB -1.360 17.655 19.000 0.025 0.000 0.823 271 A HN 0.635 nan 8.150 nan 0.000 0.451 272 c N -1.288 117.330 118.600 0.029 0.000 2.432 272 c HA -0.055 4.515 4.570 -0.000 0.000 0.277 272 c C 2.456 176.569 174.090 0.039 0.000 1.249 272 c CA 1.277 57.618 56.329 0.019 0.000 1.725 272 c CB -1.450 41.060 42.510 -0.001 0.000 2.028 272 c HN 0.531 nan 8.230 nan 0.000 0.477 273 L N 1.353 122.615 121.223 0.065 0.000 2.081 273 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 273 L C 2.721 179.703 176.870 0.187 0.000 1.080 273 L CA 1.832 56.752 54.840 0.134 0.000 0.754 273 L CB -1.031 41.122 42.059 0.157 0.000 0.893 273 L HN 0.400 nan 8.230 nan 0.000 0.433 274 R N -1.411 119.192 120.500 0.171 0.000 2.237 274 R HA -0.078 4.262 4.340 -0.000 0.000 0.219 274 R C 1.800 178.107 176.300 0.012 0.000 1.080 274 R CA 1.367 57.504 56.100 0.061 0.000 0.995 274 R CB -0.444 29.889 30.300 0.055 0.000 0.875 274 R HN 0.579 nan 8.270 nan 0.000 0.462 275 T N -1.809 112.759 114.554 0.024 0.000 3.100 275 T HA 0.136 4.486 4.350 -0.000 0.000 0.253 275 T C 0.822 175.524 174.700 0.004 0.000 1.118 275 T CA -0.152 61.952 62.100 0.007 0.000 1.058 275 T CB 0.218 69.090 68.868 0.007 0.000 0.953 275 T HN -0.135 nan 8.240 nan 0.000 0.515 276 R N 2.298 122.805 120.500 0.011 0.000 2.457 276 R HA 0.478 4.818 4.340 -0.000 0.000 0.284 276 R C -2.797 173.509 176.300 0.010 0.000 1.024 276 R CA -2.624 53.484 56.100 0.012 0.000 1.025 276 R CB 0.158 30.467 30.300 0.015 0.000 1.063 276 R HN 0.204 nan 8.270 nan 0.000 0.493 277 P HA 0.022 nan 4.420 nan 0.000 0.269 277 P C 0.266 177.564 177.300 -0.002 0.000 1.209 277 P CA 0.191 63.287 63.100 -0.007 0.000 0.776 277 P CB 0.640 32.352 31.700 0.020 0.000 0.876 278 A N 2.880 125.612 122.820 -0.147 0.000 1.892 278 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 278 A C 2.136 179.731 177.584 0.019 0.000 1.188 278 A CA 1.891 53.779 52.037 -0.249 0.000 0.631 278 A CB -1.318 16.836 19.000 -1.410 0.000 0.822 278 A HN 0.687 nan 8.150 nan 0.000 0.447 279 Q N -0.472 119.373 119.800 0.075 0.000 2.224 279 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 279 Q C 1.879 178.063 176.000 0.307 0.000 0.970 279 Q CA 1.450 57.495 55.803 0.403 0.000 0.865 279 Q CB -0.155 28.801 28.738 0.364 0.000 0.922 279 Q HN 0.448 nan 8.270 nan 0.000 0.445 280 V N 0.879 120.923 119.914 0.217 0.000 2.358 280 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 280 V C 2.248 178.513 176.094 0.284 0.000 1.047 280 V CA 1.379 63.817 62.300 0.230 0.000 1.035 280 V CB -0.409 31.501 31.823 0.146 0.000 0.658 280 V HN 0.405 nan 8.190 nan 0.000 0.452 281 L N -0.483 120.864 121.223 0.206 0.000 2.027 281 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 281 L C 2.465 179.475 176.870 0.234 0.000 1.074 281 L CA 1.188 56.111 54.840 0.138 0.000 0.745 281 L CB -0.669 41.347 42.059 -0.072 0.000 0.898 281 L HN 0.204 nan 8.230 nan 0.000 0.433 282 V N 0.054 120.179 119.914 0.353 0.000 2.490 282 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 282 V C 2.202 178.502 176.094 0.344 0.000 1.061 282 V CA 1.514 64.059 62.300 0.408 0.000 1.064 282 V CB -0.804 31.362 31.823 0.573 0.000 0.670 282 V HN 0.474 nan 8.190 nan 0.000 0.461 283 N N 0.434 119.313 118.700 0.299 0.000 2.104 283 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 283 N C 1.550 177.036 175.510 -0.040 0.000 1.024 283 N CA 1.611 54.745 53.050 0.140 0.000 0.853 283 N CB -0.332 38.172 38.487 0.030 0.000 1.008 283 N HN 0.669 nan 8.380 nan 0.000 0.424 284 H N -0.434 118.657 119.070 0.035 0.000 2.549 284 H HA 0.207 4.763 4.556 -0.000 0.000 0.279 284 H C 1.411 176.768 175.328 0.049 0.000 1.018 284 H CA -0.162 55.758 56.048 -0.214 0.000 1.175 284 H CB 0.293 29.860 29.762 -0.324 0.000 1.485 284 H HN 0.319 nan 8.280 nan 0.000 0.543 285 E N 0.606 120.936 120.200 0.217 0.000 2.049 285 E HA -0.227 4.123 4.350 -0.000 0.000 0.198 285 E C 0.732 177.297 176.600 -0.057 0.000 1.007 285 E CA 1.561 58.027 56.400 0.110 0.000 0.809 285 E CB -0.045 29.614 29.700 -0.067 0.000 0.749 285 E HN 0.598 nan 8.360 nan 0.000 0.450 286 W N -0.275 121.099 121.300 0.123 0.000 2.595 286 W HA -0.037 4.623 4.660 -0.000 0.000 0.257 286 W C 2.108 178.662 176.519 0.057 0.000 1.267 286 W CA 0.585 57.932 57.345 0.003 0.000 1.300 286 W CB -0.167 29.214 29.460 -0.132 0.000 1.120 286 W HN 0.286 nan 8.180 nan 0.000 0.618 287 H N -0.095 119.070 119.070 0.157 0.000 2.321 287 H HA -0.171 4.385 4.556 -0.000 0.000 0.300 287 H C 2.404 177.756 175.328 0.040 0.000 1.087 287 H CA 2.016 58.128 56.048 0.107 0.000 1.319 287 H CB -1.253 28.594 29.762 0.142 0.000 1.379 287 H HN 0.094 nan 8.280 nan 0.000 0.501 288 V N -0.749 119.246 119.914 0.135 0.000 3.330 288 V HA -0.036 4.084 4.120 -0.000 0.000 0.273 288 V C 0.812 176.854 176.094 -0.087 0.000 1.179 288 V CA 0.292 62.584 62.300 -0.013 0.000 1.174 288 V CB -1.166 30.593 31.823 -0.106 0.000 0.794 288 V HN 0.068 nan 8.190 nan 0.000 0.527 289 L N 2.410 123.602 121.223 -0.052 0.000 2.361 289 L HA 0.480 4.820 4.340 -0.000 0.000 0.278 289 L C -2.189 174.658 176.870 -0.039 0.000 1.113 289 L CA -1.970 52.834 54.840 -0.061 0.000 0.849 289 L CB 0.403 42.466 42.059 0.007 0.000 1.155 289 L HN 0.119 nan 8.230 nan 0.000 0.452 290 P HA 0.037 nan 4.420 nan 0.000 0.263 290 P C -0.479 176.801 177.300 -0.033 0.000 1.345 290 P CA -0.014 63.062 63.100 -0.040 0.000 1.119 290 P CB 0.158 31.830 31.700 -0.046 0.000 1.363 291 Q N 2.547 122.332 119.800 -0.026 0.000 2.612 291 Q HA -0.227 4.113 4.340 -0.000 0.000 0.393 291 Q C 0.461 176.444 176.000 -0.028 0.000 1.517 291 Q CA 0.556 56.344 55.803 -0.025 0.000 0.978 291 Q CB -0.798 27.925 28.738 -0.024 0.000 1.284 291 Q HN 0.596 nan 8.270 nan 0.000 0.531 292 E N -0.418 119.765 120.200 -0.029 0.000 3.055 292 E HA -0.180 4.170 4.350 -0.000 0.000 0.241 292 E C -0.357 176.224 176.600 -0.031 0.000 2.002 292 E CA 0.786 57.169 56.400 -0.028 0.000 0.930 292 E CB -1.592 28.095 29.700 -0.023 0.000 0.925 292 E HN 0.911 nan 8.360 nan 0.000 0.337 293 S N -0.579 115.099 115.700 -0.037 0.000 2.656 293 S HA 0.616 5.086 4.470 -0.000 0.000 0.265 293 S C -1.173 173.394 174.600 -0.055 0.000 1.110 293 S CA -0.527 57.646 58.200 -0.045 0.000 0.821 293 S CB 2.466 65.633 63.200 -0.054 0.000 1.099 293 S HN 0.597 nan 8.310 nan 0.000 0.471 294 V N 1.491 121.369 119.914 -0.061 0.000 2.888 294 V HA 0.823 4.943 4.120 -0.000 0.000 0.309 294 V C -1.097 174.949 176.094 -0.081 0.000 1.114 294 V CA -0.345 61.919 62.300 -0.060 0.000 0.940 294 V CB 1.455 33.270 31.823 -0.013 0.000 1.021 294 V HN 1.933 nan 8.190 nan 0.000 0.426 295 F N 5.186 124.890 119.950 -0.409 0.000 3.006 295 F HA -0.087 4.440 4.527 -0.000 0.000 0.318 295 F C -0.469 174.802 175.800 -0.883 0.000 0.936 295 F CA 0.527 58.074 58.000 -0.755 0.000 1.151 295 F CB -0.600 37.826 39.000 -0.957 0.000 1.212 295 F HN 0.642 nan 8.300 nan 0.000 0.687 296 R N 1.040 121.081 120.500 -0.764 0.000 2.604 296 R HA 0.644 4.984 4.340 -0.000 0.000 0.281 296 R C -1.130 174.697 176.300 -0.788 0.000 1.020 296 R CA -0.560 55.128 56.100 -0.686 0.000 0.899 296 R CB 1.268 31.419 30.300 -0.248 0.000 1.205 296 R HN 0.021 nan 8.270 nan 0.000 0.450 297 F N -0.588 119.460 119.950 0.164 0.000 2.551 297 F HA 0.395 4.921 4.527 -0.000 0.000 0.316 297 F C 1.588 177.330 175.800 -0.096 0.000 1.089 297 F CA -0.849 57.191 58.000 0.066 0.000 0.915 297 F CB 1.683 40.837 39.000 0.256 0.000 1.186 297 F HN 0.351 nan 8.300 nan 0.000 0.456 298 S N 0.734 116.343 115.700 -0.151 0.000 2.354 298 S HA -0.108 4.362 4.470 -0.000 0.000 0.219 298 S C 0.080 174.356 174.600 -0.539 0.000 1.035 298 S CA 1.333 59.250 58.200 -0.472 0.000 1.037 298 S CB -0.307 62.435 63.200 -0.763 0.000 0.956 298 S HN 0.356 nan 8.310 nan 0.000 0.428 299 F N 1.313 121.286 119.950 0.038 0.000 2.411 299 F HA 0.600 5.127 4.527 -0.000 0.000 0.352 299 F C 0.193 175.982 175.800 -0.019 0.000 1.123 299 F CA -0.933 57.105 58.000 0.062 0.000 1.044 299 F CB 1.268 40.350 39.000 0.137 0.000 1.135 299 F HN -0.018 nan 8.300 nan 0.000 0.461 300 V N 0.611 120.486 119.914 -0.065 0.000 3.103 300 V HA 0.743 4.863 4.120 -0.000 0.000 0.311 300 V C -2.989 172.709 176.094 -0.659 0.000 1.322 300 V CA -3.219 58.669 62.300 -0.687 0.000 1.063 300 V CB 1.785 33.353 31.823 -0.423 0.000 1.090 300 V HN 0.309 nan 8.190 nan 0.000 0.462 301 P HA 0.319 nan 4.420 nan 0.000 0.268 301 P C -0.857 176.313 177.300 -0.217 0.000 1.205 301 P CA 0.195 63.034 63.100 -0.436 0.000 0.771 301 P CB 0.615 31.985 31.700 -0.551 0.000 0.858 302 V N 3.721 123.583 119.914 -0.086 0.000 2.513 302 V HA 0.216 4.336 4.120 -0.000 0.000 0.299 302 V C 0.172 176.249 176.094 -0.029 0.000 1.035 302 V CA -0.741 61.532 62.300 -0.046 0.000 0.889 302 V CB 2.091 33.916 31.823 0.003 0.000 0.988 302 V HN 0.178 nan 8.190 nan 0.000 0.440 303 V N 4.642 124.538 119.914 -0.031 0.000 2.338 303 V HA 0.205 4.325 4.120 -0.000 0.000 0.255 303 V C 0.620 176.717 176.094 0.005 0.000 1.082 303 V CA -0.016 62.279 62.300 -0.009 0.000 0.951 303 V CB 0.438 32.246 31.823 -0.025 0.000 1.102 303 V HN 1.100 nan 8.190 nan 0.000 0.489 304 D N 2.566 122.982 120.400 0.026 0.000 2.441 304 D HA 0.203 4.843 4.640 -0.000 0.000 0.210 304 D C 1.405 177.722 176.300 0.028 0.000 1.102 304 D CA 0.768 54.783 54.000 0.026 0.000 0.840 304 D CB 1.011 41.833 40.800 0.036 0.000 0.990 304 D HN 0.661 nan 8.370 nan 0.000 0.505 305 G N 0.747 109.568 108.800 0.035 0.000 2.258 305 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.233 305 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.233 305 G C 0.663 175.582 174.900 0.031 0.000 1.006 305 G CA 0.484 45.599 45.100 0.025 0.000 0.620 305 G HN 0.441 nan 8.290 nan 0.000 0.511 306 D N -0.348 120.085 120.400 0.054 0.000 2.188 306 D HA 0.165 4.805 4.640 -0.000 0.000 0.239 306 D C 2.060 178.397 176.300 0.063 0.000 1.059 306 D CA 0.811 54.843 54.000 0.054 0.000 0.931 306 D CB -0.486 40.359 40.800 0.074 0.000 1.011 306 D HN 0.188 nan 8.370 nan 0.000 0.424 307 F N 0.626 120.577 119.950 0.002 0.000 2.120 307 F HA 0.013 4.540 4.527 -0.000 0.000 0.300 307 F C 0.628 176.422 175.800 -0.010 0.000 1.095 307 F CA 1.198 59.196 58.000 -0.002 0.000 1.249 307 F CB 0.114 39.108 39.000 -0.008 0.000 0.995 307 F HN -0.021 nan 8.300 nan 0.000 0.480 308 L N 0.454 121.829 121.223 0.253 0.000 2.342 308 L HA 0.194 4.534 4.340 -0.000 0.000 0.276 308 L C 1.270 178.179 176.870 0.065 0.000 0.997 308 L CA -0.233 54.698 54.840 0.150 0.000 0.838 308 L CB 1.664 43.821 42.059 0.163 0.000 1.224 308 L HN 0.004 nan 8.230 nan 0.000 0.416 309 S N 0.252 115.967 115.700 0.025 0.000 2.474 309 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 309 S C 0.394 175.000 174.600 0.010 0.000 0.997 309 S CA 0.519 58.725 58.200 0.010 0.000 0.949 309 S CB 0.061 63.257 63.200 -0.007 0.000 0.766 309 S HN 0.709 nan 8.310 nan 0.000 0.517 310 D N 0.283 120.692 120.400 0.014 0.000 2.665 310 D HA 0.321 4.961 4.640 -0.000 0.000 0.287 310 D C -0.698 175.605 176.300 0.004 0.000 1.266 310 D CA -0.089 53.914 54.000 0.005 0.000 0.830 310 D CB 1.476 42.277 40.800 0.001 0.000 1.356 310 D HN 0.174 nan 8.370 nan 0.000 0.437 311 T N -0.840 113.708 114.554 -0.011 0.000 2.906 311 T HA 0.201 4.551 4.350 -0.000 0.000 0.320 311 T C -1.794 172.896 174.700 -0.018 0.000 1.088 311 T CA -0.560 61.524 62.100 -0.026 0.000 1.120 311 T CB 0.890 69.734 68.868 -0.040 0.000 1.000 311 T HN 0.128 nan 8.240 nan 0.000 0.550 312 P HA -0.093 nan 4.420 nan 0.000 0.216 312 P C 1.513 178.806 177.300 -0.012 0.000 1.150 312 P CA 1.079 64.167 63.100 -0.021 0.000 0.837 312 P CB 0.081 31.741 31.700 -0.066 0.000 0.786 313 E N -0.331 119.848 120.200 -0.035 0.000 2.051 313 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 313 E C 1.955 178.557 176.600 0.003 0.000 0.991 313 E CA 1.291 57.676 56.400 -0.024 0.000 0.799 313 E CB -0.530 29.144 29.700 -0.043 0.000 0.748 313 E HN 0.043 nan 8.360 nan 0.000 0.449 314 A N 1.207 124.026 122.820 -0.002 0.000 1.892 314 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 314 A C 2.239 179.838 177.584 0.025 0.000 1.188 314 A CA 1.650 53.691 52.037 0.006 0.000 0.631 314 A CB -0.840 18.159 19.000 -0.002 0.000 0.822 314 A HN 0.310 nan 8.150 nan 0.000 0.447 315 L N -0.688 120.557 121.223 0.037 0.000 1.994 315 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 315 L C 2.438 179.388 176.870 0.134 0.000 1.071 315 L CA 1.367 56.246 54.840 0.064 0.000 0.745 315 L CB -0.634 41.470 42.059 0.074 0.000 0.892 315 L HN 0.337 nan 8.230 nan 0.000 0.431 316 I N 0.506 121.170 120.570 0.156 0.000 2.502 316 I HA -0.285 3.885 4.170 -0.000 0.000 0.258 316 I C 1.798 178.050 176.117 0.225 0.000 1.172 316 I CA 0.992 62.430 61.300 0.231 0.000 1.430 316 I CB -0.368 37.683 38.000 0.085 0.000 1.086 316 I HN 0.419 nan 8.210 nan 0.000 0.440 317 N N 0.510 119.283 118.700 0.122 0.000 2.432 317 N HA 0.084 4.824 4.740 -0.000 0.000 0.174 317 N C 1.741 177.288 175.510 0.060 0.000 1.037 317 N CA 1.100 54.204 53.050 0.091 0.000 0.892 317 N CB -0.009 38.507 38.487 0.048 0.000 1.049 317 N HN 0.249 nan 8.380 nan 0.000 0.442 318 A N 0.569 123.407 122.820 0.031 0.000 2.132 318 A HA 0.339 4.659 4.320 -0.000 0.000 0.213 318 A C 1.314 178.847 177.584 -0.085 0.000 1.154 318 A CA 0.339 52.367 52.037 -0.016 0.000 0.753 318 A CB -0.599 18.390 19.000 -0.018 0.000 0.826 318 A HN 0.213 nan 8.150 nan 0.000 0.469 319 G N -0.217 108.499 108.800 -0.141 0.000 2.544 319 G HA2 0.370 4.330 3.960 -0.000 0.000 0.242 319 G HA3 0.370 4.330 3.960 -0.000 0.000 0.242 319 G C -0.883 173.611 174.900 -0.677 0.000 1.247 319 G CA -0.074 44.743 45.100 -0.473 0.000 0.840 319 G HN 0.149 nan 8.290 nan 0.000 0.578 320 D N 0.949 120.944 120.400 -0.673 0.000 2.349 320 D HA 0.280 4.920 4.640 -0.000 0.000 0.232 320 D C -0.354 175.594 176.300 -0.587 0.000 1.071 320 D CA -0.645 53.097 54.000 -0.431 0.000 0.832 320 D CB 0.936 41.652 40.800 -0.139 0.000 1.086 320 D HN 0.121 nan 8.370 nan 0.000 0.504 321 F N 2.237 122.149 119.950 -0.062 0.000 2.668 321 F HA 0.156 4.683 4.527 -0.000 0.000 0.297 321 F C 1.253 177.012 175.800 -0.069 0.000 1.124 321 F CA -0.566 57.403 58.000 -0.053 0.000 1.353 321 F CB -0.185 38.786 39.000 -0.049 0.000 0.992 321 F HN 0.292 nan 8.300 nan 0.000 0.524 322 H N 0.378 119.506 119.070 0.096 0.000 2.929 322 H HA 0.197 4.753 4.556 -0.000 0.000 0.358 322 H C 1.320 176.685 175.328 0.062 0.000 1.111 322 H CA 1.140 57.229 56.048 0.069 0.000 1.409 322 H CB 0.586 30.363 29.762 0.025 0.000 1.373 322 H HN 0.436 nan 8.280 nan 0.000 0.610 323 G N 1.787 110.698 108.800 0.185 0.000 2.314 323 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.292 323 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.292 323 G C -0.241 174.715 174.900 0.093 0.000 1.059 323 G CA 0.435 45.601 45.100 0.109 0.000 0.982 323 G HN 0.541 nan 8.290 nan 0.000 0.505 324 L N -1.101 120.186 121.223 0.108 0.000 2.565 324 L HA 0.536 4.876 4.340 -0.000 0.000 0.261 324 L C -1.004 175.938 176.870 0.120 0.000 0.932 324 L CA -0.895 54.014 54.840 0.115 0.000 0.878 324 L CB 1.922 44.080 42.059 0.164 0.000 1.333 324 L HN 0.225 nan 8.230 nan 0.000 0.409 325 Q N 2.882 122.765 119.800 0.139 0.000 2.333 325 Q HA 0.723 5.063 4.340 -0.000 0.000 0.267 325 Q C -1.303 174.940 176.000 0.405 0.000 1.012 325 Q CA -0.411 55.527 55.803 0.226 0.000 0.824 325 Q CB 2.987 31.837 28.738 0.187 0.000 1.290 325 Q HN 0.355 nan 8.270 nan 0.000 0.449 326 V N 2.559 122.683 119.914 0.349 0.000 2.709 326 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 326 V C -1.419 174.660 176.094 -0.025 0.000 1.062 326 V CA -0.886 61.561 62.300 0.244 0.000 0.901 326 V CB 2.016 33.875 31.823 0.061 0.000 1.003 326 V HN 0.616 nan 8.190 nan 0.000 0.425 327 L N 6.829 127.853 121.223 -0.332 0.000 2.319 327 L HA 0.846 5.186 4.340 -0.000 0.000 0.281 327 L C -0.442 176.326 176.870 -0.171 0.000 1.005 327 L CA -0.128 54.393 54.840 -0.531 0.000 0.828 327 L CB 1.550 42.798 42.059 -1.352 0.000 1.227 327 L HN 0.599 nan 8.230 nan 0.000 0.415 328 V N 2.033 121.916 119.914 -0.052 0.000 2.960 328 V HA 1.136 5.256 4.120 -0.000 0.000 0.315 328 V C -0.092 175.858 176.094 -0.239 0.000 1.087 328 V CA 0.096 62.358 62.300 -0.063 0.000 0.982 328 V CB 1.308 33.042 31.823 -0.148 0.000 1.039 328 V HN 1.044 nan 8.190 nan 0.000 0.437 329 G N 0.638 109.149 108.800 -0.481 0.000 2.466 329 G HA2 0.717 4.677 3.960 -0.000 0.000 0.291 329 G HA3 0.717 4.677 3.960 -0.000 0.000 0.291 329 G C -1.217 173.349 174.900 -0.558 0.000 1.460 329 G CA 0.090 44.457 45.100 -1.222 0.000 0.791 329 G HN 1.989 nan 8.290 nan 0.000 0.505 330 V N -2.387 117.317 119.914 -0.349 0.000 3.156 330 V HA 0.938 5.058 4.120 -0.000 0.000 0.311 330 V C 0.312 176.555 176.094 0.249 0.000 1.208 330 V CA -0.485 61.844 62.300 0.049 0.000 1.063 330 V CB 1.150 33.008 31.823 0.059 0.000 1.098 330 V HN 1.873 nan 8.190 nan 0.000 0.452 331 V N -1.728 118.371 119.914 0.308 0.000 2.850 331 V HA 0.598 4.718 4.120 -0.000 0.000 0.315 331 V C 1.386 177.657 176.094 0.295 0.000 1.064 331 V CA -0.514 62.014 62.300 0.380 0.000 0.979 331 V CB 1.348 33.400 31.823 0.381 0.000 1.039 331 V HN 0.979 nan 8.190 nan 0.000 0.452 332 K N 0.421 120.989 120.400 0.279 0.000 2.034 332 K HA -0.158 4.162 4.320 -0.000 0.000 0.214 332 K C 0.269 176.988 176.600 0.199 0.000 1.051 332 K CA 2.342 58.755 56.287 0.209 0.000 0.931 332 K CB -0.118 32.479 32.500 0.163 0.000 0.715 332 K HN 0.938 nan 8.250 nan 0.000 0.446 333 D N 1.032 121.555 120.400 0.205 0.000 2.456 333 D HA 0.075 4.715 4.640 -0.000 0.000 0.287 333 D C 0.490 176.932 176.300 0.236 0.000 1.186 333 D CA -0.151 53.968 54.000 0.198 0.000 0.916 333 D CB 1.275 42.169 40.800 0.157 0.000 1.029 333 D HN 0.090 nan 8.370 nan 0.000 0.498 334 E N 0.808 121.170 120.200 0.269 0.000 2.110 334 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 334 E C 1.941 178.771 176.600 0.384 0.000 0.988 334 E CA 0.709 57.322 56.400 0.355 0.000 0.804 334 E CB 0.230 30.126 29.700 0.327 0.000 0.745 334 E HN 0.475 nan 8.360 nan 0.000 0.458 335 G N 1.543 110.516 108.800 0.289 0.000 2.396 335 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.214 335 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.214 335 G C 1.745 176.820 174.900 0.290 0.000 1.166 335 G CA 1.184 46.462 45.100 0.297 0.000 0.793 335 G HN 0.367 nan 8.290 nan 0.000 0.533 336 S N 0.889 116.711 115.700 0.204 0.000 2.412 336 S HA -0.447 4.023 4.470 -0.000 0.000 0.246 336 S C 2.097 176.713 174.600 0.027 0.000 1.073 336 S CA 2.006 60.291 58.200 0.142 0.000 1.186 336 S CB -1.198 62.019 63.200 0.028 0.000 1.084 336 S HN 0.567 nan 8.310 nan 0.000 0.434 337 Y N 3.152 123.315 120.300 -0.228 0.000 2.029 337 Y HA -0.306 4.244 4.550 -0.000 0.000 0.269 337 Y C 1.949 177.662 175.900 -0.312 0.000 1.201 337 Y CA 1.687 59.476 58.100 -0.518 0.000 1.115 337 Y CB -1.296 36.701 38.460 -0.771 0.000 0.945 337 Y HN 0.298 nan 8.280 nan 0.000 0.497 338 F N -0.270 119.362 119.950 -0.530 0.000 2.293 338 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 338 F C 2.323 178.015 175.800 -0.180 0.000 1.086 338 F CA 0.978 58.689 58.000 -0.482 0.000 1.375 338 F CB -0.941 37.825 39.000 -0.390 0.000 1.045 338 F HN 0.072 nan 8.300 nan 0.000 0.516 339 L N 0.260 121.468 121.223 -0.026 0.000 2.127 339 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 339 L C 2.377 179.240 176.870 -0.012 0.000 1.089 339 L CA 1.104 55.828 54.840 -0.193 0.000 0.757 339 L CB -0.909 40.688 42.059 -0.770 0.000 0.899 339 L HN 0.234 nan 8.230 nan 0.000 0.434 340 V N -4.536 115.436 119.914 0.098 0.000 3.444 340 V HA -0.183 3.937 4.120 -0.000 0.000 0.271 340 V C 1.185 177.247 176.094 -0.054 0.000 1.188 340 V CA 0.944 63.330 62.300 0.144 0.000 1.168 340 V CB -1.256 30.706 31.823 0.232 0.000 0.810 340 V HN 0.328 nan 8.190 nan 0.000 0.500 341 Y N 1.217 121.493 120.300 -0.041 0.000 2.571 341 Y HA 0.664 5.214 4.550 -0.000 0.000 0.275 341 Y C 1.734 177.589 175.900 -0.076 0.000 1.179 341 Y CA 0.319 58.362 58.100 -0.094 0.000 1.242 341 Y CB 0.861 39.228 38.460 -0.155 0.000 1.126 341 Y HN 0.407 nan 8.280 nan 0.000 0.524 342 G N -1.012 107.840 108.800 0.086 0.000 3.617 342 G HA2 0.006 3.966 3.960 -0.000 0.000 0.217 342 G HA3 0.006 3.966 3.960 -0.000 0.000 0.217 342 G C 0.119 175.064 174.900 0.074 0.000 0.967 342 G CA -0.312 44.821 45.100 0.055 0.000 0.878 342 G HN 0.286 nan 8.290 nan 0.000 0.439 343 A N 3.404 126.280 122.820 0.094 0.000 2.526 343 A HA 0.546 4.866 4.320 -0.000 0.000 0.267 343 A C -1.442 176.316 177.584 0.289 0.000 1.095 343 A CA -0.348 51.787 52.037 0.163 0.000 0.775 343 A CB -0.457 18.577 19.000 0.056 0.000 1.036 343 A HN 0.248 nan 8.150 nan 0.000 0.510 344 P HA 0.035 nan 4.420 nan 0.000 0.261 344 P C 0.970 178.327 177.300 0.095 0.000 1.173 344 P CA 1.655 64.826 63.100 0.119 0.000 0.760 344 P CB 0.548 32.289 31.700 0.068 0.000 0.783 345 G N 1.738 110.544 108.800 0.010 0.000 2.179 345 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 345 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 345 G C -0.218 174.521 174.900 -0.269 0.000 0.977 345 G CA -0.369 44.646 45.100 -0.142 0.000 0.641 345 G HN 0.440 nan 8.290 nan 0.000 0.533 346 F N 1.056 120.986 119.950 -0.034 0.000 2.422 346 F HA 0.774 5.301 4.527 -0.000 0.000 0.333 346 F C 0.662 176.505 175.800 0.071 0.000 1.095 346 F CA 0.183 58.167 58.000 -0.027 0.000 1.038 346 F CB 2.224 41.253 39.000 0.048 0.000 1.156 346 F HN 0.203 nan 8.300 nan 0.000 0.483 347 S N 1.413 117.315 115.700 0.337 0.000 2.595 347 S HA 0.249 4.719 4.470 -0.000 0.000 0.270 347 S C 0.028 174.918 174.600 0.483 0.000 1.145 347 S CA -0.739 57.671 58.200 0.350 0.000 0.825 347 S CB 1.257 64.562 63.200 0.175 0.000 1.107 347 S HN 0.750 nan 8.310 nan 0.000 0.461 348 K N 0.662 121.238 120.400 0.293 0.000 2.361 348 K HA 0.203 4.523 4.320 -0.000 0.000 0.196 348 K C 0.211 176.811 176.600 -0.001 0.000 1.039 348 K CA 0.769 57.148 56.287 0.152 0.000 1.001 348 K CB -0.120 32.192 32.500 -0.313 0.000 0.795 348 K HN 0.441 nan 8.250 nan 0.000 0.495 349 D N 1.189 121.556 120.400 -0.054 0.000 2.347 349 D HA -0.040 4.600 4.640 -0.000 0.000 0.215 349 D C 0.053 176.356 176.300 0.004 0.000 0.976 349 D CA 0.652 54.607 54.000 -0.075 0.000 0.884 349 D CB 0.038 40.781 40.800 -0.094 0.000 0.915 349 D HN 0.526 nan 8.370 nan 0.000 0.526 350 N N -1.025 117.712 118.700 0.061 0.000 3.439 350 N HA 0.133 4.873 4.740 -0.000 0.000 0.343 350 N C -0.233 175.299 175.510 0.036 0.000 1.597 350 N CA -0.624 52.440 53.050 0.024 0.000 0.733 350 N CB 0.490 38.952 38.487 -0.043 0.000 1.973 350 N HN -0.307 nan 8.380 nan 0.000 0.646 351 E N -0.558 119.579 120.200 -0.106 0.000 2.419 351 E HA 0.199 4.549 4.350 -0.000 0.000 0.190 351 E C -0.622 175.563 176.600 -0.690 0.000 1.040 351 E CA -0.244 55.986 56.400 -0.282 0.000 0.900 351 E CB -0.208 29.425 29.700 -0.112 0.000 1.054 351 E HN 0.503 nan 8.360 nan 0.000 0.462 352 S N 1.368 116.666 115.700 -0.671 0.000 3.425 352 S HA -0.169 4.301 4.470 -0.000 0.000 0.377 352 S C 0.338 174.492 174.600 -0.743 0.000 0.989 352 S CA 0.210 57.908 58.200 -0.836 0.000 1.183 352 S CB -0.698 61.708 63.200 -1.323 0.000 0.908 352 S HN 0.341 nan 8.310 nan 0.000 0.472 353 L N 2.192 123.138 121.223 -0.462 0.000 2.451 353 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 353 L C 1.049 177.727 176.870 -0.320 0.000 1.258 353 L CA 0.544 55.181 54.840 -0.339 0.000 1.132 353 L CB -1.442 40.486 42.059 -0.219 0.000 1.361 353 L HN 0.512 nan 8.230 nan 0.000 0.438 354 I N -0.201 120.128 120.570 -0.402 0.000 3.060 354 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 354 I C 0.893 176.916 176.117 -0.157 0.000 1.190 354 I CA -0.284 60.838 61.300 -0.297 0.000 1.363 354 I CB 0.687 38.495 38.000 -0.321 0.000 1.396 354 I HN 0.525 nan 8.210 nan 0.000 0.607 355 S N 2.596 118.242 115.700 -0.092 0.000 2.608 355 S HA 0.379 4.849 4.470 -0.000 0.000 0.291 355 S C 0.799 175.408 174.600 0.015 0.000 1.146 355 S CA -0.779 57.392 58.200 -0.048 0.000 1.043 355 S CB 1.875 65.053 63.200 -0.036 0.000 1.037 355 S HN 0.829 nan 8.310 nan 0.000 0.520 356 R N 1.681 122.189 120.500 0.013 0.000 2.154 356 R HA -0.151 4.189 4.340 -0.000 0.000 0.248 356 R C 2.063 178.449 176.300 0.144 0.000 1.155 356 R CA 2.208 58.353 56.100 0.075 0.000 0.979 356 R CB -1.304 29.015 30.300 0.032 0.000 0.869 356 R HN 0.856 nan 8.270 nan 0.000 0.452 357 A N 0.371 123.239 122.820 0.081 0.000 1.855 357 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 357 A C 1.969 179.597 177.584 0.075 0.000 1.191 357 A CA 1.604 53.682 52.037 0.068 0.000 0.613 357 A CB -0.483 18.538 19.000 0.035 0.000 0.829 357 A HN 0.552 nan 8.150 nan 0.000 0.442 358 E N -1.200 119.041 120.200 0.068 0.000 2.077 358 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 358 E C 1.789 178.463 176.600 0.125 0.000 0.989 358 E CA 1.294 57.735 56.400 0.068 0.000 0.800 358 E CB -0.344 29.369 29.700 0.021 0.000 0.746 358 E HN 0.660 nan 8.360 nan 0.000 0.452 359 F N 1.991 121.953 119.950 0.019 0.000 2.065 359 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 359 F C 1.966 177.797 175.800 0.053 0.000 1.112 359 F CA 1.505 59.535 58.000 0.050 0.000 1.212 359 F CB -0.325 38.683 39.000 0.014 0.000 0.975 359 F HN -0.100 nan 8.300 nan 0.000 0.476 360 L N -0.073 121.128 121.223 -0.037 0.000 2.127 360 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 360 L C 2.721 179.514 176.870 -0.128 0.000 1.089 360 L CA 1.177 55.932 54.840 -0.142 0.000 0.757 360 L CB -1.277 40.806 42.059 0.040 0.000 0.899 360 L HN 0.324 nan 8.230 nan 0.000 0.434 361 A N 0.146 122.933 122.820 -0.055 0.000 1.970 361 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 361 A C 2.381 179.935 177.584 -0.050 0.000 1.170 361 A CA 1.276 53.293 52.037 -0.033 0.000 0.645 361 A CB -0.888 18.114 19.000 0.003 0.000 0.816 361 A HN 0.413 nan 8.150 nan 0.000 0.447 362 G N -0.590 108.174 108.800 -0.060 0.000 2.443 362 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.219 362 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.219 362 G C 1.374 176.194 174.900 -0.132 0.000 1.131 362 G CA 1.073 46.146 45.100 -0.044 0.000 0.775 362 G HN 0.284 nan 8.290 nan 0.000 0.547 363 V N 0.997 120.759 119.914 -0.254 0.000 2.490 363 V HA -0.120 4.000 4.120 -0.000 0.000 0.250 363 V C 2.882 178.913 176.094 -0.105 0.000 1.061 363 V CA 1.461 63.623 62.300 -0.231 0.000 1.064 363 V CB -0.343 31.303 31.823 -0.294 0.000 0.670 363 V HN 0.242 nan 8.190 nan 0.000 0.461 364 R N 0.535 120.985 120.500 -0.083 0.000 2.119 364 R HA -0.023 4.317 4.340 -0.000 0.000 0.222 364 R C 2.296 178.573 176.300 -0.038 0.000 1.088 364 R CA 1.532 57.605 56.100 -0.045 0.000 0.984 364 R CB -1.341 28.939 30.300 -0.034 0.000 0.884 364 R HN 0.621 nan 8.270 nan 0.000 0.447 365 V N -2.215 117.675 119.914 -0.040 0.000 2.488 365 V HA 0.142 4.262 4.120 -0.000 0.000 0.246 365 V C 2.038 178.109 176.094 -0.039 0.000 1.046 365 V CA 1.806 64.087 62.300 -0.032 0.000 1.053 365 V CB -1.276 30.536 31.823 -0.019 0.000 0.679 365 V HN 0.205 nan 8.190 nan 0.000 0.458 366 G N -0.269 108.500 108.800 -0.051 0.000 2.744 366 G HA2 0.169 4.129 3.960 -0.000 0.000 0.211 366 G HA3 0.169 4.129 3.960 -0.000 0.000 0.211 366 G C 0.570 175.439 174.900 -0.051 0.000 1.143 366 G CA 0.933 46.000 45.100 -0.055 0.000 0.788 366 G HN 0.575 nan 8.290 nan 0.000 0.534 367 V N 2.759 122.643 119.914 -0.051 0.000 2.467 367 V HA 0.236 4.356 4.120 -0.000 0.000 0.260 367 V C -2.134 173.940 176.094 -0.033 0.000 0.963 367 V CA -1.578 60.673 62.300 -0.081 0.000 0.856 367 V CB 1.595 33.406 31.823 -0.021 0.000 1.087 367 V HN 0.073 nan 8.190 nan 0.000 0.467 368 P HA 0.021 nan 4.420 nan 0.000 0.269 368 P C 0.244 177.545 177.300 0.001 0.000 1.217 368 P CA 0.775 63.871 63.100 -0.006 0.000 0.783 368 P CB 0.458 32.153 31.700 -0.008 0.000 0.898 369 Q N -1.880 117.916 119.800 -0.007 0.000 2.410 369 Q HA -0.133 4.207 4.340 -0.000 0.000 0.369 369 Q C -0.797 175.201 176.000 -0.002 0.000 1.342 369 Q CA 0.711 56.509 55.803 -0.008 0.000 1.133 369 Q CB -2.777 25.953 28.738 -0.012 0.000 1.288 369 Q HN 0.504 nan 8.270 nan 0.000 0.320 370 V N 1.236 121.149 119.914 -0.002 0.000 2.971 370 V HA 0.792 4.912 4.120 -0.000 0.000 0.309 370 V C 0.521 176.615 176.094 0.001 0.000 1.130 370 V CA -0.132 62.169 62.300 0.001 0.000 0.964 370 V CB 2.528 34.359 31.823 0.014 0.000 1.029 370 V HN 1.437 nan 8.190 nan 0.000 0.427 371 S N 2.660 118.359 115.700 -0.002 0.000 2.589 371 S HA 0.131 4.601 4.470 -0.000 0.000 0.265 371 S C 0.664 175.270 174.600 0.011 0.000 1.342 371 S CA 0.315 58.515 58.200 0.001 0.000 1.005 371 S CB 0.729 63.926 63.200 -0.005 0.000 0.909 371 S HN 0.763 nan 8.310 nan 0.000 0.555 372 D N 0.318 120.725 120.400 0.012 0.000 2.144 372 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 372 D C 1.652 177.971 176.300 0.031 0.000 0.984 372 D CA 0.913 54.924 54.000 0.018 0.000 0.834 372 D CB -0.337 40.472 40.800 0.015 0.000 0.955 372 D HN 0.432 nan 8.370 nan 0.000 0.465 373 L N 0.340 121.582 121.223 0.031 0.000 2.141 373 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 373 L C 1.948 178.860 176.870 0.070 0.000 1.094 373 L CA 1.251 56.119 54.840 0.047 0.000 0.763 373 L CB -0.691 41.391 42.059 0.039 0.000 0.908 373 L HN -0.006 nan 8.230 nan 0.000 0.437 374 A N -0.454 122.400 122.820 0.056 0.000 1.898 374 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 374 A C 2.456 180.106 177.584 0.109 0.000 1.181 374 A CA 1.585 53.670 52.037 0.081 0.000 0.620 374 A CB -1.056 17.965 19.000 0.035 0.000 0.819 374 A HN 0.532 nan 8.150 nan 0.000 0.442 375 A N -0.538 122.323 122.820 0.068 0.000 1.877 375 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 375 A C 1.956 179.579 177.584 0.064 0.000 1.186 375 A CA 1.702 53.772 52.037 0.054 0.000 0.620 375 A CB -0.492 18.522 19.000 0.023 0.000 0.822 375 A HN 0.409 nan 8.150 nan 0.000 0.443 376 E N -0.070 120.173 120.200 0.072 0.000 2.160 376 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 376 E C 2.245 178.902 176.600 0.096 0.000 0.991 376 E CA 1.184 57.638 56.400 0.090 0.000 0.810 376 E CB -0.449 29.299 29.700 0.080 0.000 0.742 376 E HN 0.574 nan 8.360 nan 0.000 0.466 377 A N 0.439 123.319 122.820 0.100 0.000 1.969 377 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 377 A C 2.546 180.037 177.584 -0.155 0.000 1.169 377 A CA 1.193 53.279 52.037 0.081 0.000 0.635 377 A CB -0.344 18.846 19.000 0.316 0.000 0.810 377 A HN 0.138 nan 8.150 nan 0.000 0.445 378 V N -0.423 119.447 119.914 -0.074 0.000 2.283 378 V HA -0.193 3.927 4.120 -0.000 0.000 0.243 378 V C 2.553 178.708 176.094 0.102 0.000 1.039 378 V CA 1.811 64.044 62.300 -0.112 0.000 1.016 378 V CB -0.920 30.945 31.823 0.070 0.000 0.650 378 V HN 0.345 nan 8.190 nan 0.000 0.449 379 V N 0.240 120.235 119.914 0.134 0.000 2.324 379 V HA -0.303 3.817 4.120 -0.000 0.000 0.250 379 V C 2.438 178.727 176.094 0.325 0.000 1.060 379 V CA 2.312 64.761 62.300 0.248 0.000 1.042 379 V CB -0.789 31.167 31.823 0.221 0.000 0.650 379 V HN 0.530 nan 8.190 nan 0.000 0.450 380 L N 0.103 121.505 121.223 0.299 0.000 1.989 380 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 380 L C 2.487 179.552 176.870 0.325 0.000 1.071 380 L CA 2.739 57.836 54.840 0.429 0.000 0.749 380 L CB -0.941 41.215 42.059 0.161 0.000 0.890 380 L HN 0.522 nan 8.230 nan 0.000 0.431 381 H N -2.055 116.976 119.070 -0.065 0.000 2.389 381 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 381 H C 1.116 176.278 175.328 -0.278 0.000 1.081 381 H CA 1.964 57.855 56.048 -0.261 0.000 1.345 381 H CB -0.127 29.243 29.762 -0.652 0.000 1.393 381 H HN 0.488 nan 8.280 nan 0.000 0.520 382 Y N 0.188 120.497 120.300 0.016 0.000 2.470 382 Y HA 0.208 4.758 4.550 -0.000 0.000 0.284 382 Y C 0.202 176.047 175.900 -0.091 0.000 1.188 382 Y CA 0.105 58.226 58.100 0.036 0.000 1.269 382 Y CB 0.273 38.890 38.460 0.261 0.000 1.094 382 Y HN 0.051 nan 8.280 nan 0.000 0.518 383 T N 0.375 114.817 114.554 -0.185 0.000 2.824 383 T HA 0.090 4.440 4.350 -0.000 0.000 0.280 383 T C -0.770 173.469 174.700 -0.768 0.000 0.995 383 T CA -0.749 60.972 62.100 -0.630 0.000 1.009 383 T CB 1.137 69.268 68.868 -1.229 0.000 0.955 383 T HN -0.021 nan 8.240 nan 0.000 0.452 384 D N 1.974 122.022 120.400 -0.585 0.000 2.411 384 D HA 0.119 4.759 4.640 -0.000 0.000 0.225 384 D C -0.064 175.972 176.300 -0.442 0.000 1.156 384 D CA -0.589 53.202 54.000 -0.348 0.000 0.874 384 D CB 0.543 41.277 40.800 -0.110 0.000 1.034 384 D HN 0.615 nan 8.370 nan 0.000 0.502 385 W N 3.438 124.685 121.300 -0.089 0.000 3.096 385 W HA 0.026 4.686 4.660 -0.000 0.000 0.241 385 W C 1.701 178.128 176.519 -0.153 0.000 1.316 385 W CA -0.517 56.770 57.345 -0.097 0.000 1.520 385 W CB 0.332 29.743 29.460 -0.081 0.000 1.128 385 W HN 0.369 nan 8.180 nan 0.000 0.707 386 L N -0.130 121.007 121.223 -0.144 0.000 2.590 386 L HA 0.132 4.472 4.340 -0.000 0.000 0.227 386 L C 0.168 176.608 176.870 -0.717 0.000 1.099 386 L CA 1.297 55.892 54.840 -0.407 0.000 0.872 386 L CB -0.291 41.452 42.059 -0.526 0.000 1.088 386 L HN 0.117 nan 8.230 nan 0.000 0.479 387 H N -1.218 117.811 119.070 -0.069 0.000 2.901 387 H HA 0.268 4.824 4.556 -0.000 0.000 0.227 387 H C -1.848 173.376 175.328 -0.173 0.000 1.390 387 H CA -1.216 54.772 56.048 -0.100 0.000 1.120 387 H CB 0.317 30.017 29.762 -0.104 0.000 2.131 387 H HN 0.077 nan 8.280 nan 0.000 0.549 388 P HA -0.172 nan 4.420 nan 0.000 0.218 388 P C 1.298 178.493 177.300 -0.175 0.000 1.146 388 P CA 1.497 64.472 63.100 -0.210 0.000 0.820 388 P CB 0.526 32.187 31.700 -0.066 0.000 0.778 389 E N -1.713 118.431 120.200 -0.094 0.000 2.473 389 E HA 0.015 4.365 4.350 -0.000 0.000 0.204 389 E C 0.214 176.753 176.600 -0.102 0.000 0.994 389 E CA 0.020 56.367 56.400 -0.087 0.000 0.945 389 E CB -0.372 29.304 29.700 -0.040 0.000 0.990 389 E HN 0.228 nan 8.360 nan 0.000 0.493 390 D N 2.760 123.104 120.400 -0.093 0.000 2.479 390 D HA -0.045 4.595 4.640 -0.000 0.000 0.257 390 D C -1.670 174.543 176.300 -0.145 0.000 1.230 390 D CA -1.353 52.583 54.000 -0.106 0.000 0.912 390 D CB 1.083 41.818 40.800 -0.109 0.000 1.130 390 D HN -0.139 nan 8.370 nan 0.000 0.515 391 P HA -0.159 nan 4.420 nan 0.000 0.216 391 P C 0.923 178.130 177.300 -0.156 0.000 1.150 391 P CA 1.701 64.709 63.100 -0.153 0.000 0.837 391 P CB 0.157 31.771 31.700 -0.142 0.000 0.786 392 A N 0.129 122.873 122.820 -0.128 0.000 1.858 392 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 392 A C 2.215 179.753 177.584 -0.076 0.000 1.190 392 A CA 1.580 53.559 52.037 -0.096 0.000 0.617 392 A CB -1.024 17.928 19.000 -0.079 0.000 0.827 392 A HN 0.100 nan 8.150 nan 0.000 0.443 393 R N -0.540 119.896 120.500 -0.107 0.000 2.090 393 R HA 0.071 4.411 4.340 -0.000 0.000 0.228 393 R C 1.999 178.214 176.300 -0.141 0.000 1.110 393 R CA 1.136 57.175 56.100 -0.101 0.000 0.973 393 R CB -0.495 29.728 30.300 -0.128 0.000 0.869 393 R HN 0.466 nan 8.270 nan 0.000 0.440 394 L N 0.550 121.630 121.223 -0.237 0.000 2.131 394 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 394 L C 2.870 179.719 176.870 -0.036 0.000 1.092 394 L CA 1.073 55.682 54.840 -0.385 0.000 0.759 394 L CB -0.384 41.410 42.059 -0.442 0.000 0.903 394 L HN 0.189 nan 8.230 nan 0.000 0.435 395 R N 0.540 121.043 120.500 0.005 0.000 2.066 395 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 395 R C 1.942 178.419 176.300 0.294 0.000 1.131 395 R CA 1.546 57.741 56.100 0.158 0.000 0.955 395 R CB 0.031 30.293 30.300 -0.065 0.000 0.851 395 R HN 0.227 nan 8.270 nan 0.000 0.432 396 E N 0.054 120.368 120.200 0.190 0.000 2.274 396 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 396 E C 1.526 178.255 176.600 0.215 0.000 0.996 396 E CA 1.015 57.546 56.400 0.217 0.000 0.840 396 E CB 0.035 29.831 29.700 0.161 0.000 0.772 396 E HN 0.440 nan 8.360 nan 0.000 0.491 397 A N 0.160 123.097 122.820 0.195 0.000 1.872 397 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 397 A C 1.996 179.739 177.584 0.265 0.000 1.187 397 A CA 0.825 53.014 52.037 0.253 0.000 0.614 397 A CB -0.498 18.602 19.000 0.167 0.000 0.826 397 A HN 0.293 nan 8.150 nan 0.000 0.442 398 L N -0.181 121.276 121.223 0.390 0.000 2.275 398 L HA -0.030 4.310 4.340 -0.000 0.000 0.215 398 L C 2.523 179.446 176.870 0.088 0.000 1.119 398 L CA 1.993 56.978 54.840 0.241 0.000 0.790 398 L CB -0.454 41.808 42.059 0.338 0.000 0.919 398 L HN 0.373 nan 8.230 nan 0.000 0.443 399 S N -1.057 114.740 115.700 0.163 0.000 2.357 399 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 399 S C 1.707 176.378 174.600 0.119 0.000 1.031 399 S CA 1.314 59.603 58.200 0.147 0.000 0.982 399 S CB -0.260 63.091 63.200 0.253 0.000 0.853 399 S HN 0.536 nan 8.310 nan 0.000 0.458 400 D N 0.842 121.322 120.400 0.133 0.000 2.117 400 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 400 D C 2.150 178.458 176.300 0.013 0.000 0.982 400 D CA 0.988 55.081 54.000 0.155 0.000 0.828 400 D CB -0.539 40.453 40.800 0.319 0.000 0.967 400 D HN 0.267 nan 8.370 nan 0.000 0.464 401 V N 1.163 120.914 119.914 -0.271 0.000 2.231 401 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 401 V C 2.750 178.773 176.094 -0.118 0.000 1.054 401 V CA 1.429 63.512 62.300 -0.361 0.000 1.015 401 V CB -0.620 30.994 31.823 -0.348 0.000 0.638 401 V HN 0.050 nan 8.190 nan 0.000 0.444 402 V N 0.575 120.435 119.914 -0.090 0.000 2.295 402 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 402 V C 2.606 178.624 176.094 -0.127 0.000 1.049 402 V CA 2.200 64.442 62.300 -0.098 0.000 1.024 402 V CB -1.478 30.322 31.823 -0.038 0.000 0.648 402 V HN 0.638 nan 8.190 nan 0.000 0.447 403 G N -0.169 108.623 108.800 -0.014 0.000 2.421 403 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 403 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 403 G C 1.223 176.096 174.900 -0.046 0.000 1.171 403 G CA 1.103 46.222 45.100 0.031 0.000 0.775 403 G HN 0.517 nan 8.290 nan 0.000 0.543 404 D N -0.255 120.124 120.400 -0.035 0.000 2.097 404 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 404 D C 2.092 178.135 176.300 -0.429 0.000 0.984 404 D CA 1.298 55.252 54.000 -0.077 0.000 0.826 404 D CB -0.541 40.383 40.800 0.207 0.000 0.973 404 D HN 0.414 nan 8.370 nan 0.000 0.460 405 H N 1.004 119.529 119.070 -0.909 0.000 2.353 405 H HA 0.007 4.563 4.556 -0.000 0.000 0.300 405 H C 1.420 176.333 175.328 -0.691 0.000 1.090 405 H CA 1.723 57.020 56.048 -1.251 0.000 1.327 405 H CB 0.038 28.949 29.762 -1.418 0.000 1.383 405 H HN 0.008 nan 8.280 nan 0.000 0.508 406 N N -0.825 117.446 118.700 -0.715 0.000 2.405 406 N HA 0.011 4.751 4.740 -0.000 0.000 0.175 406 N C 1.047 176.390 175.510 -0.280 0.000 1.051 406 N CA 0.984 53.574 53.050 -0.766 0.000 0.899 406 N CB 1.251 38.701 38.487 -1.728 0.000 1.000 406 N HN 0.277 nan 8.380 nan 0.000 0.451 407 V N -0.574 119.235 119.914 -0.175 0.000 3.442 407 V HA 0.038 4.158 4.120 -0.000 0.000 0.205 407 V C 2.157 178.250 176.094 -0.002 0.000 1.320 407 V CA 0.149 62.469 62.300 0.034 0.000 1.306 407 V CB -0.166 31.761 31.823 0.173 0.000 1.267 407 V HN -0.192 nan 8.190 nan 0.000 0.538 408 V N 0.362 120.273 119.914 -0.005 0.000 2.252 408 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 408 V C 2.499 178.573 176.094 -0.034 0.000 1.056 408 V CA 2.733 65.028 62.300 -0.008 0.000 1.022 408 V CB -0.931 30.913 31.823 0.035 0.000 0.641 408 V HN 0.691 nan 8.190 nan 0.000 0.445 409 c N -0.461 118.114 118.600 -0.042 0.000 2.450 409 c HA 0.005 4.575 4.570 -0.000 0.000 0.279 409 c C 0.544 174.603 174.090 -0.052 0.000 1.335 409 c CA 0.844 57.166 56.329 -0.012 0.000 1.749 409 c CB -1.780 40.753 42.510 0.038 0.000 1.963 409 c HN 0.474 nan 8.230 nan 0.000 0.501 410 P HA -0.044 nan 4.420 nan 0.000 0.216 410 P C 1.817 179.058 177.300 -0.097 0.000 1.153 410 P CA 1.225 64.251 63.100 -0.123 0.000 0.844 410 P CB -0.121 31.469 31.700 -0.183 0.000 0.787 411 V N 0.380 120.243 119.914 -0.087 0.000 2.295 411 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 411 V C 2.452 178.459 176.094 -0.146 0.000 1.049 411 V CA 2.312 64.549 62.300 -0.106 0.000 1.024 411 V CB -1.759 30.008 31.823 -0.094 0.000 0.648 411 V HN 0.088 nan 8.190 nan 0.000 0.447 412 A N -0.831 121.917 122.820 -0.119 0.000 1.978 412 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 412 A C 2.250 179.815 177.584 -0.032 0.000 1.170 412 A CA 2.264 54.238 52.037 -0.105 0.000 0.636 412 A CB -0.485 18.504 19.000 -0.019 0.000 0.810 412 A HN 0.645 nan 8.150 nan 0.000 0.448 413 Q N -0.972 118.814 119.800 -0.023 0.000 2.062 413 Q HA -0.099 4.241 4.340 -0.000 0.000 0.196 413 Q C 2.015 178.002 176.000 -0.023 0.000 0.967 413 Q CA 1.354 57.158 55.803 0.002 0.000 0.832 413 Q CB -0.244 28.491 28.738 -0.005 0.000 0.899 413 Q HN 0.525 nan 8.270 nan 0.000 0.442 414 L N 1.037 122.218 121.223 -0.070 0.000 2.012 414 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 414 L C 2.254 179.053 176.870 -0.118 0.000 1.073 414 L CA 2.449 57.228 54.840 -0.102 0.000 0.748 414 L CB -1.074 40.910 42.059 -0.125 0.000 0.891 414 L HN 0.267 nan 8.230 nan 0.000 0.431 415 A N -0.367 122.367 122.820 -0.144 0.000 1.892 415 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 415 A C 2.358 179.979 177.584 0.062 0.000 1.188 415 A CA 1.974 53.906 52.037 -0.175 0.000 0.631 415 A CB -1.730 16.949 19.000 -0.535 0.000 0.822 415 A HN 0.579 nan 8.150 nan 0.000 0.447 416 G N -1.418 107.493 108.800 0.186 0.000 2.408 416 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 416 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 416 G C 1.719 176.684 174.900 0.108 0.000 1.150 416 G CA 0.663 45.913 45.100 0.250 0.000 0.776 416 G HN 0.370 nan 8.290 nan 0.000 0.542 417 R N -0.097 120.436 120.500 0.056 0.000 2.090 417 R HA 0.163 4.503 4.340 -0.000 0.000 0.228 417 R C 2.619 178.946 176.300 0.045 0.000 1.110 417 R CA 0.406 56.539 56.100 0.055 0.000 0.973 417 R CB -0.771 29.560 30.300 0.051 0.000 0.869 417 R HN 0.378 nan 8.270 nan 0.000 0.440 418 L N -0.008 121.165 121.223 -0.082 0.000 1.988 418 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 418 L C 2.644 179.496 176.870 -0.030 0.000 1.071 418 L CA 1.480 56.195 54.840 -0.209 0.000 0.744 418 L CB -0.772 41.066 42.059 -0.369 0.000 0.893 418 L HN 0.143 nan 8.230 nan 0.000 0.433 419 A N 0.057 122.881 122.820 0.006 0.000 1.917 419 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 419 A C 2.394 179.991 177.584 0.023 0.000 1.182 419 A CA 2.087 54.143 52.037 0.031 0.000 0.633 419 A CB -0.822 18.240 19.000 0.103 0.000 0.819 419 A HN 0.473 nan 8.150 nan 0.000 0.448 420 A N -1.462 121.383 122.820 0.042 0.000 2.119 420 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 420 A C 1.681 179.286 177.584 0.034 0.000 1.153 420 A CA 1.217 53.276 52.037 0.036 0.000 0.692 420 A CB -0.236 18.792 19.000 0.046 0.000 0.799 420 A HN 0.660 nan 8.150 nan 0.000 0.458 421 Q N -1.461 118.372 119.800 0.055 0.000 2.206 421 Q HA 0.385 4.725 4.340 -0.000 0.000 0.265 421 Q C 0.584 176.494 176.000 -0.151 0.000 0.866 421 Q CA 0.205 56.031 55.803 0.037 0.000 1.073 421 Q CB 0.542 29.387 28.738 0.178 0.000 1.165 421 Q HN 0.726 nan 8.270 nan 0.000 0.465 422 G N -0.137 108.502 108.800 -0.268 0.000 2.154 422 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.186 422 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.186 422 G C 0.025 174.795 174.900 -0.216 0.000 1.000 422 G CA -0.120 44.589 45.100 -0.652 0.000 0.664 422 G HN 0.497 nan 8.290 nan 0.000 0.513 423 A N -0.699 122.093 122.820 -0.045 0.000 2.346 423 A HA 0.946 5.266 4.320 -0.000 0.000 0.313 423 A C 0.054 177.632 177.584 -0.011 0.000 1.140 423 A CA -0.560 51.486 52.037 0.014 0.000 0.826 423 A CB 1.238 20.258 19.000 0.033 0.000 1.332 423 A HN 0.729 nan 8.150 nan 0.000 0.457 424 R N 0.296 120.796 120.500 -0.001 0.000 2.229 424 R HA 0.570 4.910 4.340 -0.000 0.000 0.332 424 R C -1.512 174.706 176.300 -0.136 0.000 0.989 424 R CA 0.045 56.096 56.100 -0.082 0.000 0.842 424 R CB 0.561 30.857 30.300 -0.006 0.000 1.119 424 R HN 0.456 nan 8.270 nan 0.000 0.456 425 V N 5.474 125.233 119.914 -0.258 0.000 2.680 425 V HA 0.516 4.636 4.120 -0.000 0.000 0.309 425 V C -1.128 174.726 176.094 -0.400 0.000 1.052 425 V CA -0.787 61.392 62.300 -0.202 0.000 0.908 425 V CB 1.785 33.589 31.823 -0.033 0.000 1.001 425 V HN 0.625 nan 8.190 nan 0.000 0.431 426 Y N 1.669 121.965 120.300 -0.006 0.000 2.406 426 Y HA 0.777 5.327 4.550 -0.000 0.000 0.340 426 Y C 0.290 176.345 175.900 0.258 0.000 0.975 426 Y CA -0.498 57.634 58.100 0.052 0.000 1.056 426 Y CB 2.146 40.301 38.460 -0.508 0.000 1.210 426 Y HN 0.787 nan 8.280 nan 0.000 0.448 427 A N 3.156 126.389 122.820 0.688 0.000 2.330 427 A HA 0.923 5.243 4.320 -0.000 0.000 0.329 427 A C -1.749 176.211 177.584 0.627 0.000 1.135 427 A CA -0.637 51.666 52.037 0.444 0.000 0.817 427 A CB 1.167 20.285 19.000 0.197 0.000 1.269 427 A HN 0.788 nan 8.150 nan 0.000 0.469 428 Y N -2.179 118.337 120.300 0.360 0.000 2.624 428 Y HA 0.648 5.198 4.550 -0.000 0.000 0.334 428 Y C -1.653 174.429 175.900 0.303 0.000 1.155 428 Y CA -1.510 56.745 58.100 0.259 0.000 1.046 428 Y CB 0.990 39.589 38.460 0.231 0.000 1.316 428 Y HN 0.444 nan 8.280 nan 0.000 0.457 429 V N 3.790 124.014 119.914 0.517 0.000 2.398 429 V HA 0.228 4.348 4.120 -0.000 0.000 0.282 429 V C -0.944 175.453 176.094 0.505 0.000 1.014 429 V CA -0.570 61.989 62.300 0.431 0.000 0.838 429 V CB 0.948 33.002 31.823 0.386 0.000 1.018 429 V HN 0.724 nan 8.190 nan 0.000 0.432 430 F N 5.262 125.501 119.950 0.482 0.000 2.502 430 F HA 0.194 4.721 4.527 -0.000 0.000 0.361 430 F C 1.222 177.169 175.800 0.245 0.000 1.157 430 F CA 0.016 58.226 58.000 0.350 0.000 1.096 430 F CB 0.424 39.634 39.000 0.351 0.000 1.141 430 F HN 0.692 nan 8.300 nan 0.000 0.579 431 E N 3.740 123.914 120.200 -0.044 0.000 3.582 431 E HA 0.132 4.481 4.350 -0.000 0.000 0.217 431 E C -1.065 175.444 176.600 -0.151 0.000 1.092 431 E CA -0.590 55.794 56.400 -0.025 0.000 1.365 431 E CB 0.034 29.761 29.700 0.046 0.000 1.278 431 E HN 0.632 nan 8.360 nan 0.000 0.439 432 H N 0.726 119.525 119.070 -0.451 0.000 2.823 432 H HA 0.314 4.870 4.556 -0.000 0.000 0.332 432 H C -1.054 174.139 175.328 -0.224 0.000 0.980 432 H CA -0.813 54.966 56.048 -0.448 0.000 1.286 432 H CB 1.189 30.470 29.762 -0.800 0.000 1.541 432 H HN 0.149 nan 8.280 nan 0.000 0.521 433 R N 4.102 124.212 120.500 -0.651 0.000 2.347 433 R HA 0.503 4.843 4.340 -0.000 0.000 0.304 433 R C -0.463 175.505 176.300 -0.554 0.000 1.072 433 R CA -0.207 55.650 56.100 -0.406 0.000 0.980 433 R CB 0.284 30.459 30.300 -0.208 0.000 0.986 433 R HN 0.771 nan 8.270 nan 0.000 0.448 434 A N 3.119 125.901 122.820 -0.062 0.000 2.498 434 A HA 0.041 4.361 4.320 -0.000 0.000 0.239 434 A C 1.183 178.829 177.584 0.103 0.000 1.068 434 A CA 0.313 52.540 52.037 0.317 0.000 0.766 434 A CB 0.383 19.778 19.000 0.659 0.000 1.003 434 A HN 0.992 nan 8.150 nan 0.000 0.497 435 S N 1.261 117.042 115.700 0.135 0.000 2.515 435 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 435 S C 1.070 175.620 174.600 -0.083 0.000 0.987 435 S CA 1.390 59.598 58.200 0.012 0.000 0.936 435 S CB -0.258 62.968 63.200 0.042 0.000 0.766 435 S HN 0.711 nan 8.310 nan 0.000 0.528 436 T N 1.771 116.238 114.554 -0.145 0.000 3.086 436 T HA 0.339 4.689 4.350 -0.000 0.000 0.250 436 T C 0.486 175.104 174.700 -0.137 0.000 1.074 436 T CA -0.378 61.585 62.100 -0.228 0.000 0.988 436 T CB -0.240 68.352 68.868 -0.459 0.000 0.988 436 T HN 0.332 nan 8.240 nan 0.000 0.530 437 L N 3.269 124.451 121.223 -0.069 0.000 2.667 437 L HA -0.037 4.303 4.340 -0.000 0.000 0.278 437 L C 1.601 178.410 176.870 -0.103 0.000 1.217 437 L CA -0.046 54.744 54.840 -0.084 0.000 0.935 437 L CB 0.559 42.569 42.059 -0.083 0.000 1.193 437 L HN 0.314 nan 8.230 nan 0.000 0.493 438 S N 1.769 117.366 115.700 -0.171 0.000 2.528 438 S HA -0.009 4.461 4.470 -0.000 0.000 0.219 438 S C 0.160 174.751 174.600 -0.015 0.000 0.985 438 S CA -0.614 57.479 58.200 -0.180 0.000 0.914 438 S CB -0.046 62.875 63.200 -0.464 0.000 0.776 438 S HN 0.518 nan 8.310 nan 0.000 0.526 439 W N 4.034 125.343 121.300 0.014 0.000 2.202 439 W HA 0.384 5.044 4.660 -0.000 0.000 0.332 439 W C -2.115 174.323 176.519 -0.136 0.000 1.263 439 W CA -2.089 55.267 57.345 0.018 0.000 1.223 439 W CB 0.051 29.422 29.460 -0.148 0.000 1.128 439 W HN 0.022 nan 8.180 nan 0.000 0.573 440 P HA -0.166 nan 4.420 nan 0.000 0.266 440 P C 0.586 177.799 177.300 -0.145 0.000 1.193 440 P CA 0.017 63.078 63.100 -0.064 0.000 0.770 440 P CB 0.876 32.539 31.700 -0.062 0.000 0.836 441 L N 3.795 125.007 121.223 -0.018 0.000 2.127 441 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 441 L C 2.248 179.141 176.870 0.038 0.000 1.089 441 L CA 1.469 56.313 54.840 0.008 0.000 0.757 441 L CB -1.494 40.599 42.059 0.057 0.000 0.899 441 L HN 0.597 nan 8.230 nan 0.000 0.434 442 W N -1.345 119.999 121.300 0.073 0.000 2.392 442 W HA -0.166 4.494 4.660 -0.000 0.000 0.279 442 W C 1.695 178.277 176.519 0.106 0.000 1.225 442 W CA 0.734 58.129 57.345 0.082 0.000 1.233 442 W CB -1.182 28.330 29.460 0.086 0.000 1.122 442 W HN 0.217 nan 8.180 nan 0.000 0.561 443 M N 1.378 120.643 119.600 -0.559 0.000 2.630 443 M HA 0.127 4.607 4.480 -0.000 0.000 0.254 443 M C 1.852 178.068 176.300 -0.141 0.000 1.092 443 M CA 1.446 56.444 55.300 -0.502 0.000 1.087 443 M CB -0.680 31.451 32.600 -0.782 0.000 1.453 443 M HN 0.189 nan 8.290 nan 0.000 0.509 444 G N 0.676 109.437 108.800 -0.064 0.000 2.596 444 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.304 444 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.304 444 G C -0.034 174.858 174.900 -0.013 0.000 1.189 444 G CA -0.019 45.080 45.100 -0.002 0.000 0.986 444 G HN 0.237 nan 8.290 nan 0.000 0.548 445 V N 4.793 124.738 119.914 0.052 0.000 2.240 445 V HA 0.419 4.539 4.120 -0.000 0.000 0.265 445 V C -1.332 174.864 176.094 0.169 0.000 1.073 445 V CA -0.528 61.843 62.300 0.119 0.000 0.857 445 V CB 0.943 32.872 31.823 0.177 0.000 1.114 445 V HN 0.624 nan 8.190 nan 0.000 0.469 446 P HA 0.087 nan 4.420 nan 0.000 0.274 446 P C -0.069 177.424 177.300 0.322 0.000 1.256 446 P CA -0.365 62.818 63.100 0.139 0.000 0.795 446 P CB 0.658 32.276 31.700 -0.136 0.000 1.038 447 H N 0.347 119.491 119.070 0.123 0.000 3.115 447 H HA 0.150 4.706 4.556 -0.000 0.000 0.324 447 H C 1.626 176.903 175.328 -0.086 0.000 1.007 447 H CA 2.295 58.380 56.048 0.061 0.000 1.385 447 H CB -0.693 29.091 29.762 0.037 0.000 1.351 447 H HN 0.810 nan 8.280 nan 0.000 0.592 448 G N 3.625 112.138 108.800 -0.478 0.000 2.168 448 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 448 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 448 G C 0.279 174.995 174.900 -0.307 0.000 0.997 448 G CA 0.754 45.594 45.100 -0.432 0.000 0.708 448 G HN 0.688 nan 8.290 nan 0.000 0.520 449 Y N 0.037 120.411 120.300 0.124 0.000 2.607 449 Y HA 0.273 4.823 4.550 -0.000 0.000 0.266 449 Y C 2.016 178.028 175.900 0.186 0.000 1.178 449 Y CA 0.458 58.688 58.100 0.217 0.000 1.226 449 Y CB 0.613 39.213 38.460 0.234 0.000 1.144 449 Y HN 0.478 nan 8.280 nan 0.000 0.528 450 E N -0.361 119.815 120.200 -0.039 0.000 2.473 450 E HA 0.029 4.379 4.350 -0.000 0.000 0.204 450 E C 1.423 177.836 176.600 -0.311 0.000 0.994 450 E CA 0.442 56.446 56.400 -0.660 0.000 0.945 450 E CB -0.329 28.696 29.700 -1.124 0.000 0.990 450 E HN 0.500 nan 8.360 nan 0.000 0.493 451 I N 2.632 123.168 120.570 -0.057 0.000 2.142 451 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 451 I C 2.590 178.687 176.117 -0.032 0.000 1.078 451 I CA 2.043 63.354 61.300 0.018 0.000 1.343 451 I CB -0.514 37.564 38.000 0.130 0.000 1.046 451 I HN 0.173 nan 8.210 nan 0.000 0.405 452 E N 1.119 121.281 120.200 -0.064 0.000 2.187 452 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 452 E C 1.989 178.407 176.600 -0.304 0.000 1.004 452 E CA 1.686 57.962 56.400 -0.207 0.000 0.813 452 E CB -0.555 29.034 29.700 -0.185 0.000 0.736 452 E HN 0.448 nan 8.360 nan 0.000 0.468 453 F N 0.971 120.829 119.950 -0.153 0.000 2.219 453 F HA 0.048 4.575 4.527 -0.000 0.000 0.294 453 F C 2.301 177.909 175.800 -0.321 0.000 1.086 453 F CA 0.313 58.195 58.000 -0.196 0.000 1.330 453 F CB -0.095 38.896 39.000 -0.016 0.000 1.047 453 F HN -0.044 nan 8.300 nan 0.000 0.495 454 I N -0.710 119.733 120.570 -0.212 0.000 2.264 454 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 454 I C 1.888 177.808 176.117 -0.330 0.000 1.111 454 I CA 1.690 62.709 61.300 -0.469 0.000 1.382 454 I CB -1.257 36.383 38.000 -0.599 0.000 1.060 454 I HN 0.084 nan 8.210 nan 0.000 0.418 455 F N 0.904 120.651 119.950 -0.339 0.000 2.797 455 F HA 0.248 4.775 4.527 -0.000 0.000 0.302 455 F C 1.831 177.466 175.800 -0.276 0.000 1.130 455 F CA 0.553 58.386 58.000 -0.279 0.000 1.387 455 F CB -0.484 38.341 39.000 -0.292 0.000 1.107 455 F HN 0.262 nan 8.300 nan 0.000 0.577 456 G N 0.576 109.243 108.800 -0.223 0.000 2.221 456 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.265 456 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.265 456 G C 1.044 175.502 174.900 -0.737 0.000 1.041 456 G CA 0.410 45.284 45.100 -0.377 0.000 0.807 456 G HN 0.242 nan 8.290 nan 0.000 0.502 457 I N 0.040 120.168 120.570 -0.736 0.000 2.567 457 I HA -0.085 4.085 4.170 -0.000 0.000 0.257 457 I C 0.190 175.663 176.117 -1.074 0.000 1.184 457 I CA 1.064 61.822 61.300 -0.904 0.000 1.451 457 I CB -1.854 35.770 38.000 -0.626 0.000 1.089 457 I HN 0.140 nan 8.210 nan 0.000 0.441 458 P HA -0.086 nan 4.420 nan 0.000 0.222 458 P C 2.066 179.033 177.300 -0.555 0.000 1.147 458 P CA 0.985 63.373 63.100 -1.188 0.000 0.790 458 P CB 0.014 31.149 31.700 -0.942 0.000 0.780 459 L N -1.416 119.454 121.223 -0.588 0.000 2.376 459 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 459 L C 0.948 177.675 176.870 -0.239 0.000 1.133 459 L CA 0.417 55.054 54.840 -0.338 0.000 0.816 459 L CB -0.831 41.080 42.059 -0.246 0.000 0.933 459 L HN 0.009 nan 8.230 nan 0.000 0.449 460 D N 0.593 120.730 120.400 -0.438 0.000 2.371 460 D HA 0.045 4.685 4.640 -0.000 0.000 0.256 460 D C -1.621 174.669 176.300 -0.017 0.000 1.193 460 D CA -1.822 52.121 54.000 -0.095 0.000 0.881 460 D CB 1.527 42.261 40.800 -0.109 0.000 1.143 460 D HN -0.133 nan 8.370 nan 0.000 0.473 461 P HA -0.136 nan 4.420 nan 0.000 0.216 461 P C 1.243 178.559 177.300 0.026 0.000 1.153 461 P CA 1.292 64.412 63.100 0.033 0.000 0.848 461 P CB 0.005 31.727 31.700 0.037 0.000 0.787 462 S N -1.332 114.385 115.700 0.027 0.000 2.462 462 S HA -0.101 4.369 4.470 -0.000 0.000 0.243 462 S C 1.072 175.674 174.600 0.003 0.000 1.003 462 S CA 0.765 58.971 58.200 0.011 0.000 0.970 462 S CB -0.724 62.482 63.200 0.011 0.000 0.762 462 S HN 0.027 nan 8.310 nan 0.000 0.510 463 R N 1.487 122.004 120.500 0.027 0.000 2.596 463 R HA 0.401 4.741 4.340 -0.000 0.000 0.267 463 R C -0.701 175.626 176.300 0.044 0.000 1.026 463 R CA -0.514 55.616 56.100 0.049 0.000 1.087 463 R CB 0.175 30.594 30.300 0.197 0.000 1.132 463 R HN 0.212 nan 8.270 nan 0.000 0.531 464 N N 0.917 119.579 118.700 -0.062 0.000 2.458 464 N HA 0.123 4.863 4.740 -0.000 0.000 0.274 464 N C -0.927 174.523 175.510 -0.099 0.000 1.242 464 N CA -0.122 52.882 53.050 -0.076 0.000 0.904 464 N CB -0.068 38.351 38.487 -0.113 0.000 1.206 464 N HN 0.365 nan 8.380 nan 0.000 0.510 465 Y N 0.743 121.012 120.300 -0.051 0.000 2.330 465 Y HA 0.126 4.676 4.550 -0.000 0.000 0.341 465 Y C 1.864 177.771 175.900 0.012 0.000 1.278 465 Y CA -0.708 57.383 58.100 -0.014 0.000 1.453 465 Y CB 0.204 38.634 38.460 -0.051 0.000 1.342 465 Y HN -0.008 nan 8.280 nan 0.000 0.590 466 T N -1.734 112.945 114.554 0.210 0.000 2.868 466 T HA 0.422 4.772 4.350 -0.000 0.000 0.292 466 T C 1.203 175.976 174.700 0.121 0.000 1.028 466 T CA -0.370 61.809 62.100 0.131 0.000 1.059 466 T CB 1.260 70.197 68.868 0.115 0.000 0.991 466 T HN 0.781 nan 8.240 nan 0.000 0.531 467 A N 1.598 124.463 122.820 0.075 0.000 1.948 467 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 467 A C 2.196 179.818 177.584 0.064 0.000 1.177 467 A CA 1.907 53.979 52.037 0.058 0.000 0.636 467 A CB -0.994 18.028 19.000 0.037 0.000 0.815 467 A HN 1.022 nan 8.150 nan 0.000 0.449 468 E N -0.050 120.187 120.200 0.062 0.000 2.106 468 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 468 E C 1.643 178.305 176.600 0.103 0.000 0.984 468 E CA 1.145 57.574 56.400 0.048 0.000 0.806 468 E CB -0.387 29.311 29.700 -0.003 0.000 0.750 468 E HN 0.748 nan 8.360 nan 0.000 0.458 469 E N 1.210 121.512 120.200 0.171 0.000 2.208 469 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 469 E C 1.850 178.622 176.600 0.288 0.000 0.988 469 E CA 0.673 57.285 56.400 0.353 0.000 0.828 469 E CB 0.039 30.053 29.700 0.523 0.000 0.763 469 E HN 0.256 nan 8.360 nan 0.000 0.478 470 K N 0.393 120.874 120.400 0.135 0.000 2.167 470 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 470 K C 2.065 178.693 176.600 0.046 0.000 1.052 470 K CA 0.689 56.993 56.287 0.027 0.000 0.956 470 K CB 0.086 32.587 32.500 0.002 0.000 0.735 470 K HN 0.106 nan 8.250 nan 0.000 0.451 471 I N 0.334 120.957 120.570 0.088 0.000 2.233 471 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 471 I C 2.206 178.399 176.117 0.126 0.000 1.093 471 I CA 0.861 62.207 61.300 0.077 0.000 1.380 471 I CB -0.236 37.806 38.000 0.071 0.000 1.067 471 I HN 0.027 nan 8.210 nan 0.000 0.413 472 F N 2.247 122.203 119.950 0.010 0.000 2.069 472 F HA -0.293 4.233 4.527 -0.000 0.000 0.298 472 F C 2.522 178.369 175.800 0.079 0.000 1.113 472 F CA 1.433 59.448 58.000 0.025 0.000 1.214 472 F CB -0.773 38.223 39.000 -0.006 0.000 0.978 472 F HN 0.032 nan 8.300 nan 0.000 0.474 473 A N 0.012 122.867 122.820 0.057 0.000 1.917 473 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 473 A C 2.145 179.631 177.584 -0.164 0.000 1.182 473 A CA 2.173 54.147 52.037 -0.105 0.000 0.633 473 A CB -1.005 17.915 19.000 -0.133 0.000 0.819 473 A HN 0.666 nan 8.150 nan 0.000 0.448 474 Q N -1.276 118.465 119.800 -0.098 0.000 2.084 474 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 474 Q C 2.402 178.320 176.000 -0.136 0.000 0.978 474 Q CA 1.523 57.268 55.803 -0.096 0.000 0.844 474 Q CB -0.224 28.482 28.738 -0.053 0.000 0.898 474 Q HN 0.716 nan 8.270 nan 0.000 0.426 475 R N 0.815 121.235 120.500 -0.133 0.000 2.091 475 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 475 R C 2.153 178.246 176.300 -0.344 0.000 1.136 475 R CA 1.171 57.138 56.100 -0.222 0.000 0.959 475 R CB -0.199 30.066 30.300 -0.058 0.000 0.856 475 R HN 0.222 nan 8.270 nan 0.000 0.437 476 L N 0.094 121.189 121.223 -0.213 0.000 1.994 476 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 476 L C 2.695 179.534 176.870 -0.053 0.000 1.071 476 L CA 1.548 56.349 54.840 -0.066 0.000 0.745 476 L CB -0.349 41.487 42.059 -0.371 0.000 0.892 476 L HN 0.289 nan 8.230 nan 0.000 0.431 477 M N -0.860 118.640 119.600 -0.167 0.000 2.144 477 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 477 M C 2.419 178.720 176.300 0.002 0.000 1.067 477 M CA 1.549 56.783 55.300 -0.111 0.000 1.095 477 M CB -0.427 32.092 32.600 -0.136 0.000 1.365 477 M HN 0.125 nan 8.290 nan 0.000 0.406 478 R N 0.142 120.599 120.500 -0.072 0.000 2.073 478 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 478 R C 1.753 178.088 176.300 0.058 0.000 1.134 478 R CA 1.904 57.964 56.100 -0.067 0.000 0.952 478 R CB -0.779 29.409 30.300 -0.187 0.000 0.850 478 R HN 0.281 nan 8.270 nan 0.000 0.433 479 Y N -0.641 119.777 120.300 0.197 0.000 2.053 479 Y HA -0.300 4.250 4.550 -0.000 0.000 0.277 479 Y C 2.376 178.451 175.900 0.292 0.000 1.159 479 Y CA 1.712 59.978 58.100 0.276 0.000 1.125 479 Y CB -1.060 37.705 38.460 0.508 0.000 0.969 479 Y HN 0.160 nan 8.280 nan 0.000 0.492 480 W N -0.297 121.090 121.300 0.146 0.000 2.317 480 W HA -0.309 4.351 4.660 -0.000 0.000 0.318 480 W C 2.671 179.200 176.519 0.018 0.000 1.227 480 W CA 1.347 58.718 57.345 0.044 0.000 1.269 480 W CB -0.677 28.732 29.460 -0.084 0.000 1.155 480 W HN 0.116 nan 8.180 nan 0.000 0.484 481 A N 0.468 123.406 122.820 0.198 0.000 1.940 481 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 481 A C 1.621 179.232 177.584 0.045 0.000 1.176 481 A CA 2.211 54.286 52.037 0.063 0.000 0.631 481 A CB -1.082 17.933 19.000 0.025 0.000 0.814 481 A HN 0.335 nan 8.150 nan 0.000 0.446 482 N N -1.097 117.649 118.700 0.077 0.000 2.084 482 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 482 N C 1.333 176.855 175.510 0.021 0.000 1.030 482 N CA 1.500 54.575 53.050 0.042 0.000 0.849 482 N CB -0.505 38.019 38.487 0.063 0.000 1.012 482 N HN 0.493 nan 8.380 nan 0.000 0.423 483 F N 1.491 121.373 119.950 -0.113 0.000 2.095 483 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 483 F C 2.122 177.859 175.800 -0.106 0.000 1.104 483 F CA 1.349 59.246 58.000 -0.172 0.000 1.232 483 F CB -0.724 38.103 39.000 -0.287 0.000 0.987 483 F HN 0.051 nan 8.300 nan 0.000 0.475 484 A N 0.630 123.360 122.820 -0.149 0.000 1.883 484 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 484 A C 2.381 179.854 177.584 -0.184 0.000 1.186 484 A CA 1.982 53.902 52.037 -0.194 0.000 0.624 484 A CB -0.716 18.234 19.000 -0.084 0.000 0.822 484 A HN 0.483 nan 8.150 nan 0.000 0.444 485 R N -1.121 119.306 120.500 -0.120 0.000 2.057 485 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 485 R C 2.326 178.556 176.300 -0.117 0.000 1.136 485 R CA 1.932 57.975 56.100 -0.095 0.000 0.952 485 R CB -0.504 29.764 30.300 -0.053 0.000 0.848 485 R HN 0.721 nan 8.270 nan 0.000 0.430 486 T N -4.360 110.118 114.554 -0.126 0.000 2.990 486 T HA 0.246 4.596 4.350 -0.000 0.000 0.250 486 T C 1.295 175.908 174.700 -0.146 0.000 1.041 486 T CA 0.455 62.490 62.100 -0.107 0.000 1.010 486 T CB 1.141 69.976 68.868 -0.056 0.000 1.003 486 T HN 0.402 nan 8.240 nan 0.000 0.499 487 G N 1.219 109.842 108.800 -0.295 0.000 2.132 487 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.234 487 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.234 487 G C -0.399 174.529 174.900 0.046 0.000 0.989 487 G CA 0.076 44.950 45.100 -0.376 0.000 0.676 487 G HN 0.854 nan 8.290 nan 0.000 0.522 488 D N -1.118 119.289 120.400 0.013 0.000 2.890 488 D HA 0.511 5.151 4.640 -0.000 0.000 0.233 488 D C -1.368 174.812 176.300 -0.200 0.000 1.306 488 D CA -1.705 52.220 54.000 -0.124 0.000 0.929 488 D CB 1.743 42.506 40.800 -0.061 0.000 1.512 488 D HN -0.057 nan 8.370 nan 0.000 0.568 489 P HA -0.087 nan 4.420 nan 0.000 0.214 489 P C -0.106 177.220 177.300 0.043 0.000 1.163 489 P CA 1.067 63.982 63.100 -0.308 0.000 0.883 489 P CB 0.039 31.118 31.700 -1.036 0.000 0.788 490 N N 0.379 119.068 118.700 -0.018 0.000 2.503 490 N HA 0.041 4.781 4.740 -0.000 0.000 0.267 490 N C -0.237 175.322 175.510 0.082 0.000 1.214 490 N CA -0.678 52.464 53.050 0.154 0.000 0.959 490 N CB 0.332 38.933 38.487 0.190 0.000 1.142 490 N HN -0.101 nan 8.380 nan 0.000 0.455 491 E N 1.363 121.621 120.200 0.096 0.000 3.089 491 E HA -0.023 4.327 4.350 -0.000 0.000 0.226 491 E C -1.782 174.841 176.600 0.038 0.000 1.083 491 E CA -0.206 56.227 56.400 0.055 0.000 0.938 491 E CB -0.572 29.158 29.700 0.050 0.000 0.942 491 E HN 0.501 nan 8.360 nan 0.000 0.549 496 K N -0.794 119.638 120.400 0.053 0.000 2.399 496 K HA 0.666 4.986 4.320 -0.000 0.000 0.204 496 K C 0.180 176.814 176.600 0.058 0.000 1.023 496 K CA -0.025 56.292 56.287 0.050 0.000 1.127 496 K CB 0.321 32.845 32.500 0.040 0.000 0.856 496 K HN 0.464 nan 8.250 nan 0.000 0.514 497 A N 2.591 125.454 122.820 0.072 0.000 2.303 497 A HA 0.572 4.892 4.320 -0.000 0.000 0.317 497 A C -2.450 175.197 177.584 0.105 0.000 1.149 497 A CA -1.588 50.500 52.037 0.086 0.000 0.822 497 A CB 0.132 19.191 19.000 0.098 0.000 1.131 497 A HN -0.025 nan 8.150 nan 0.000 0.493 498 P HA -0.003 nan 4.420 nan 0.000 0.261 498 P C -0.685 176.704 177.300 0.149 0.000 1.165 498 P CA 0.566 63.728 63.100 0.105 0.000 0.759 498 P CB 0.305 32.056 31.700 0.086 0.000 0.772 499 Q N 1.827 121.714 119.800 0.146 0.000 2.241 499 Q HA 0.183 4.523 4.340 -0.000 0.000 0.254 499 Q C -0.627 175.531 176.000 0.264 0.000 0.917 499 Q CA -0.177 55.745 55.803 0.199 0.000 0.919 499 Q CB 1.168 30.005 28.738 0.166 0.000 1.237 499 Q HN 0.542 nan 8.270 nan 0.000 0.434 500 W N 6.218 127.570 121.300 0.087 0.000 2.387 500 W HA 0.350 5.010 4.660 -0.000 0.000 0.310 500 W C -2.553 174.082 176.519 0.193 0.000 1.181 500 W CA -2.412 54.989 57.345 0.094 0.000 1.333 500 W CB 0.353 29.817 29.460 0.007 0.000 1.286 500 W HN 0.401 nan 8.180 nan 0.000 0.455 501 P HA 0.328 nan 4.420 nan 0.000 0.279 501 P C -2.617 175.010 177.300 0.546 0.000 1.252 501 P CA -1.615 61.767 63.100 0.470 0.000 0.811 501 P CB 0.553 32.424 31.700 0.285 0.000 1.035 502 P HA 0.084 nan 4.420 nan 0.000 0.275 502 P C -0.970 176.388 177.300 0.097 0.000 1.227 502 P CA -0.021 63.032 63.100 -0.078 0.000 0.781 502 P CB 0.083 31.659 31.700 -0.208 0.000 0.906 503 Y N 3.008 123.303 120.300 -0.008 0.000 2.436 503 Y HA 0.309 4.859 4.550 -0.000 0.000 0.336 503 Y C 0.414 176.318 175.900 0.007 0.000 1.049 503 Y CA 0.488 58.629 58.100 0.069 0.000 1.294 503 Y CB 0.310 38.825 38.460 0.092 0.000 1.179 503 Y HN 0.227 nan 8.280 nan 0.000 0.520 504 T N 4.274 118.605 114.554 -0.373 0.000 2.918 504 T HA 0.569 4.919 4.350 -0.000 0.000 0.286 504 T C 0.945 175.384 174.700 -0.435 0.000 1.026 504 T CA -0.252 61.689 62.100 -0.265 0.000 1.031 504 T CB 1.344 70.130 68.868 -0.136 0.000 1.046 504 T HN 0.850 nan 8.240 nan 0.000 0.479 505 A N 3.122 125.830 122.820 -0.187 0.000 2.019 505 A HA 0.182 4.502 4.320 -0.000 0.000 0.219 505 A C 2.081 179.592 177.584 -0.122 0.000 1.164 505 A CA 1.978 53.944 52.037 -0.118 0.000 0.644 505 A CB -1.242 17.752 19.000 -0.010 0.000 0.805 505 A HN 0.985 nan 8.150 nan 0.000 0.449 506 G N -0.598 108.136 108.800 -0.110 0.000 2.605 506 G HA2 0.106 4.066 3.960 -0.000 0.000 0.215 506 G HA3 0.106 4.066 3.960 -0.000 0.000 0.215 506 G C 1.734 176.585 174.900 -0.081 0.000 1.279 506 G CA 1.179 46.237 45.100 -0.069 0.000 0.831 506 G HN 0.774 nan 8.290 nan 0.000 0.560 507 A N -0.851 121.914 122.820 -0.092 0.000 2.014 507 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 507 A C 1.308 178.836 177.584 -0.093 0.000 1.163 507 A CA 1.449 53.449 52.037 -0.061 0.000 0.652 507 A CB -0.348 18.635 19.000 -0.028 0.000 0.808 507 A HN 0.569 nan 8.150 nan 0.000 0.449 508 Q N -0.547 119.079 119.800 -0.290 0.000 2.452 508 Q HA -0.204 4.136 4.340 -0.000 0.000 0.318 508 Q C -0.762 175.229 176.000 -0.016 0.000 1.386 508 Q CA 0.575 56.097 55.803 -0.468 0.000 0.872 508 Q CB -1.650 27.000 28.738 -0.145 0.000 1.151 508 Q HN 0.845 nan 8.270 nan 0.000 0.417 509 Q N 0.524 120.344 119.800 0.032 0.000 2.259 509 Q HA 0.545 4.885 4.340 -0.000 0.000 0.249 509 Q C -0.456 175.863 176.000 0.531 0.000 0.914 509 Q CA -0.173 55.789 55.803 0.265 0.000 0.904 509 Q CB 0.765 29.599 28.738 0.160 0.000 1.213 509 Q HN 0.366 nan 8.270 nan 0.000 0.428 510 Y N -1.609 118.826 120.300 0.225 0.000 2.670 510 Y HA 0.714 5.264 4.550 -0.000 0.000 0.334 510 Y C -1.282 174.623 175.900 0.009 0.000 1.185 510 Y CA -1.568 56.655 58.100 0.205 0.000 1.053 510 Y CB 0.406 38.994 38.460 0.213 0.000 1.298 510 Y HN 0.354 nan 8.280 nan 0.000 0.459 511 V N -0.403 119.336 119.914 -0.292 0.000 2.864 511 V HA 0.878 4.998 4.120 -0.000 0.000 0.314 511 V C -0.196 175.732 176.094 -0.276 0.000 1.073 511 V CA -0.480 61.536 62.300 -0.472 0.000 0.956 511 V CB 1.270 32.649 31.823 -0.741 0.000 1.023 511 V HN 1.314 nan 8.190 nan 0.000 0.435 512 S N 3.661 119.226 115.700 -0.225 0.000 2.562 512 S HA 0.698 5.168 4.470 -0.000 0.000 0.275 512 S C -0.417 174.138 174.600 -0.074 0.000 1.281 512 S CA -0.665 57.494 58.200 -0.068 0.000 1.045 512 S CB 0.800 63.961 63.200 -0.066 0.000 0.962 512 S HN 0.818 nan 8.310 nan 0.000 0.503 513 L N 3.380 124.610 121.223 0.011 0.000 2.387 513 L HA 0.471 4.811 4.340 -0.000 0.000 0.259 513 L C -0.893 175.938 176.870 -0.064 0.000 1.050 513 L CA -0.482 54.388 54.840 0.050 0.000 0.922 513 L CB 0.028 42.200 42.059 0.190 0.000 1.280 513 L HN 0.833 nan 8.230 nan 0.000 0.449 514 D N 0.654 120.968 120.400 -0.142 0.000 2.801 514 D HA 0.347 4.987 4.640 -0.000 0.000 0.277 514 D C 0.960 176.849 176.300 -0.685 0.000 1.125 514 D CA -0.823 52.877 54.000 -0.499 0.000 1.102 514 D CB 0.809 41.424 40.800 -0.308 0.000 1.400 514 D HN -0.004 nan 8.370 nan 0.000 0.601 515 L N -1.039 119.675 121.223 -0.848 0.000 2.083 515 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 515 L C 1.453 178.167 176.870 -0.261 0.000 1.083 515 L CA 1.014 55.469 54.840 -0.641 0.000 0.752 515 L CB -0.515 41.221 42.059 -0.539 0.000 0.899 515 L HN 0.138 nan 8.230 nan 0.000 0.433 516 R N 0.062 120.446 120.500 -0.194 0.000 2.863 516 R HA 0.103 4.443 4.340 -0.000 0.000 0.273 516 R C -2.055 174.217 176.300 -0.046 0.000 1.057 516 R CA -1.424 54.619 56.100 -0.095 0.000 1.191 516 R CB -0.515 29.738 30.300 -0.079 0.000 1.104 516 R HN -0.057 nan 8.270 nan 0.000 0.519 517 P HA 0.031 nan 4.420 nan 0.000 0.275 517 P C -0.461 176.846 177.300 0.011 0.000 1.266 517 P CA -0.294 62.823 63.100 0.029 0.000 0.793 517 P CB 0.414 32.133 31.700 0.030 0.000 1.074 518 L N 1.004 122.248 121.223 0.034 0.000 2.559 518 L HA 0.020 4.359 4.340 -0.000 0.000 0.274 518 L C 1.005 177.837 176.870 -0.063 0.000 1.205 518 L CA 0.807 55.621 54.840 -0.043 0.000 0.907 518 L CB -0.346 41.693 42.059 -0.033 0.000 1.153 518 L HN 0.435 nan 8.230 nan 0.000 0.490 519 E N 3.193 123.323 120.200 -0.116 0.000 2.176 519 E HA 0.364 4.714 4.350 -0.000 0.000 0.267 519 E C -1.242 175.249 176.600 -0.182 0.000 0.893 519 E CA -0.726 55.607 56.400 -0.112 0.000 0.761 519 E CB 2.018 31.659 29.700 -0.099 0.000 1.133 519 E HN 0.292 nan 8.360 nan 0.000 0.409 520 V N 4.863 124.691 119.914 -0.143 0.000 2.546 520 V HA 0.424 4.544 4.120 -0.000 0.000 0.284 520 V C 0.266 176.230 176.094 -0.217 0.000 1.050 520 V CA -0.121 62.074 62.300 -0.174 0.000 0.981 520 V CB 1.166 32.954 31.823 -0.057 0.000 0.990 520 V HN 0.681 nan 8.190 nan 0.000 0.474 521 R N 3.346 123.617 120.500 -0.381 0.000 2.771 521 R HA 0.644 4.984 4.340 -0.000 0.000 0.274 521 R C -0.867 175.383 176.300 -0.085 0.000 0.987 521 R CA -0.991 54.910 56.100 -0.332 0.000 0.908 521 R CB 2.738 32.689 30.300 -0.582 0.000 1.213 521 R HN 0.606 nan 8.270 nan 0.000 0.468 522 R N 0.011 120.589 120.500 0.130 0.000 2.720 522 R HA 0.563 4.903 4.340 -0.000 0.000 0.272 522 R C -0.420 176.098 176.300 0.364 0.000 0.991 522 R CA -0.280 55.964 56.100 0.239 0.000 1.010 522 R CB 1.835 32.208 30.300 0.121 0.000 1.141 522 R HN 0.866 nan 8.270 nan 0.000 0.494 523 G N 1.236 110.206 108.800 0.283 0.000 3.276 523 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.679 523 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.679 523 G C -0.966 174.021 174.900 0.144 0.000 0.911 523 G CA -0.676 44.548 45.100 0.207 0.000 0.797 523 G HN 0.371 nan 8.290 nan 0.000 0.503 524 L N 3.167 124.400 121.223 0.017 0.000 2.589 524 L HA 0.727 5.067 4.340 -0.000 0.000 0.244 524 L C 1.035 177.886 176.870 -0.033 0.000 1.159 524 L CA -0.476 54.240 54.840 -0.206 0.000 1.074 524 L CB -0.155 41.773 42.059 -0.217 0.000 1.391 524 L HN 1.029 nan 8.230 nan 0.000 0.423 525 R N 1.549 122.075 120.500 0.044 0.000 3.532 525 R HA -0.239 4.101 4.340 -0.000 0.000 0.284 525 R C 1.271 177.657 176.300 0.143 0.000 1.140 525 R CA 0.836 57.009 56.100 0.122 0.000 0.768 525 R CB -1.674 28.707 30.300 0.135 0.000 1.252 525 R HN 0.704 nan 8.270 nan 0.000 0.454 526 A N 0.012 122.907 122.820 0.125 0.000 1.869 526 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 526 A C 1.766 179.427 177.584 0.128 0.000 1.203 526 A CA 1.682 53.793 52.037 0.123 0.000 0.638 526 A CB -0.362 18.704 19.000 0.110 0.000 0.831 526 A HN 0.542 nan 8.150 nan 0.000 0.450 527 Q N -0.572 119.307 119.800 0.132 0.000 2.061 527 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 527 Q C 2.450 178.522 176.000 0.120 0.000 0.984 527 Q CA 1.886 57.769 55.803 0.133 0.000 0.846 527 Q CB -1.008 27.821 28.738 0.152 0.000 0.902 527 Q HN 0.683 nan 8.270 nan 0.000 0.421 528 A N 0.294 123.213 122.820 0.164 0.000 1.873 528 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 528 A C 2.517 180.236 177.584 0.226 0.000 1.186 528 A CA 1.455 53.544 52.037 0.086 0.000 0.616 528 A CB -0.985 18.223 19.000 0.345 0.000 0.823 528 A HN 0.486 nan 8.150 nan 0.000 0.442 529 c N -0.613 118.164 118.600 0.294 0.000 2.422 529 c HA 0.114 4.684 4.570 -0.000 0.000 0.286 529 c C 3.143 177.365 174.090 0.220 0.000 1.412 529 c CA 0.483 57.004 56.329 0.320 0.000 1.786 529 c CB -1.535 41.104 42.510 0.214 0.000 1.835 529 c HN 0.675 nan 8.230 nan 0.000 0.533 530 A N 0.063 122.973 122.820 0.149 0.000 1.930 530 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 530 A C 1.821 179.470 177.584 0.109 0.000 1.175 530 A CA 1.304 53.407 52.037 0.110 0.000 0.627 530 A CB -0.678 18.373 19.000 0.086 0.000 0.815 530 A HN 0.526 nan 8.150 nan 0.000 0.443 531 F N -0.512 119.385 119.950 -0.088 0.000 2.051 531 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 531 F C 1.993 177.734 175.800 -0.098 0.000 1.122 531 F CA 1.669 59.565 58.000 -0.174 0.000 1.201 531 F CB -0.860 37.807 39.000 -0.555 0.000 0.978 531 F HN 0.371 nan 8.300 nan 0.000 0.472 532 W N 0.898 122.063 121.300 -0.225 0.000 2.335 532 W HA -0.225 4.435 4.660 -0.000 0.000 0.311 532 W C 2.299 178.696 176.519 -0.203 0.000 1.213 532 W CA 1.333 58.507 57.345 -0.284 0.000 1.274 532 W CB -0.643 28.831 29.460 0.024 0.000 1.148 532 W HN 0.037 nan 8.180 nan 0.000 0.498 533 N N -0.863 117.920 118.700 0.139 0.000 2.395 533 N HA 0.029 4.769 4.740 -0.000 0.000 0.175 533 N C 1.599 177.117 175.510 0.013 0.000 1.029 533 N CA 0.848 53.938 53.050 0.066 0.000 0.897 533 N CB -0.250 38.286 38.487 0.080 0.000 0.991 533 N HN 0.220 nan 8.380 nan 0.000 0.441 534 R N -0.940 119.569 120.500 0.016 0.000 2.098 534 R HA 0.199 4.539 4.340 -0.000 0.000 0.203 534 R C 1.759 178.070 176.300 0.019 0.000 1.166 534 R CA 0.100 56.216 56.100 0.027 0.000 1.090 534 R CB -0.129 30.212 30.300 0.068 0.000 0.992 534 R HN 0.037 nan 8.270 nan 0.000 0.477 535 F N 1.288 121.166 119.950 -0.121 0.000 2.094 535 F HA -0.082 4.445 4.527 -0.000 0.000 0.291 535 F C 1.944 177.621 175.800 -0.205 0.000 1.109 535 F CA 0.972 58.900 58.000 -0.120 0.000 1.221 535 F CB -0.517 38.458 39.000 -0.041 0.000 1.014 535 F HN -0.052 nan 8.300 nan 0.000 0.473 536 L N 1.469 122.322 121.223 -0.617 0.000 2.085 536 L HA -0.213 4.127 4.340 -0.000 0.000 0.218 536 L C -0.623 175.959 176.870 -0.480 0.000 1.080 536 L CA 2.635 57.040 54.840 -0.725 0.000 0.776 536 L CB -2.342 39.162 42.059 -0.925 0.000 0.891 536 L HN 0.109 nan 8.230 nan 0.000 0.437 537 P HA -0.184 nan 4.420 nan 0.000 0.215 537 P C 1.508 178.669 177.300 -0.231 0.000 1.157 537 P CA 1.776 64.750 63.100 -0.210 0.000 0.868 537 P CB -0.000 31.617 31.700 -0.137 0.000 0.788 538 K N -0.729 119.497 120.400 -0.290 0.000 2.057 538 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 538 K C 2.139 178.547 176.600 -0.320 0.000 1.050 538 K CA 0.971 57.103 56.287 -0.258 0.000 0.935 538 K CB -0.871 31.493 32.500 -0.227 0.000 0.715 538 K HN 0.129 nan 8.250 nan 0.000 0.439 539 L N 1.282 122.175 121.223 -0.551 0.000 2.017 539 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 539 L C 2.118 178.847 176.870 -0.235 0.000 1.073 539 L CA 1.323 55.890 54.840 -0.455 0.000 0.745 539 L CB -0.158 41.517 42.059 -0.640 0.000 0.894 539 L HN 0.178 nan 8.230 nan 0.000 0.432 540 L N -0.787 120.304 121.223 -0.219 0.000 2.017 540 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 540 L C 2.862 179.671 176.870 -0.102 0.000 1.073 540 L CA 1.544 56.306 54.840 -0.129 0.000 0.745 540 L CB -0.696 41.295 42.059 -0.113 0.000 0.894 540 L HN 0.392 nan 8.230 nan 0.000 0.432 541 S N 0.019 115.651 115.700 -0.113 0.000 2.383 541 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 541 S C 1.881 176.439 174.600 -0.070 0.000 1.030 541 S CA 1.241 59.391 58.200 -0.084 0.000 1.002 541 S CB -0.130 63.019 63.200 -0.085 0.000 0.829 541 S HN 0.425 nan 8.310 nan 0.000 0.467 542 A N 0.489 123.259 122.820 -0.083 0.000 2.235 542 A HA 0.346 4.666 4.320 -0.000 0.000 0.208 542 A C 1.068 178.625 177.584 -0.045 0.000 1.172 542 A CA 0.839 52.841 52.037 -0.059 0.000 0.786 542 A CB -0.549 18.415 19.000 -0.060 0.000 0.804 542 A HN 0.741 nan 8.150 nan 0.000 0.479 543 T N 0.000 114.525 114.554 -0.049 0.000 3.816 543 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 543 T CA 0.000 62.080 62.100 -0.034 0.000 1.349 543 T CB 0.000 68.850 68.868 -0.029 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658