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 3i6e_1_H DATA FIRST_RESID 6 DATA SEQUENCE LEQKIIAMDL WHLALPVXXX XXXXXXXXXX XCEIVVLRLV AEGGAEGFGE DATA SEQUENCE ASPWAVFTGT PEASYAALDR YLRPLVIGRR VGDRVAIMDE AARAVAHCTE DATA SEQUENCE AKAALDSALL DLAGRISNLP VWALLGGKCR DTIPLSCSIA NPDFDADIAL DATA SEQUENCE MERLRADGVG LIKLKTGFRD HAFDIMRLEL IARDFPEFRV RVDYNQGLEI DATA SEQUENCE DEAVPRVLDV AQFQPDFIEQ PVRAHHFELM ARLRGLTDVP LLADESVYGP DATA SEQUENCE EDMVRAAHEG ICDGVSIKIM KSGGLTRAQT VARIAAAHGL MAYGGDMFEA DATA SEQUENCE GLAHLAGTHM IAATPEITLG CEFYQASYFL NEDILETPFR VEAGQVIVPD DATA SEQUENCE GPGLGARADP EKLEHYAVRR 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.857 176.870 -0.021 0.000 1.165 6 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 6 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 7 E N 0.134 120.323 120.200 -0.019 0.000 2.472 7 E HA 0.143 4.493 4.350 -0.000 0.000 0.196 7 E C 0.683 177.272 176.600 -0.018 0.000 1.033 7 E CA 0.089 56.479 56.400 -0.017 0.000 0.886 7 E CB 0.678 30.369 29.700 -0.014 0.000 0.944 7 E HN 0.543 nan 8.360 nan 0.000 0.492 8 Q N 0.759 120.547 119.800 -0.020 0.000 2.700 8 Q HA 0.076 4.416 4.340 -0.000 0.000 0.232 8 Q C 0.006 175.992 176.000 -0.024 0.000 1.110 8 Q CA 0.771 56.561 55.803 -0.022 0.000 1.026 8 Q CB 0.510 29.234 28.738 -0.024 0.000 1.311 8 Q HN -0.139 nan 8.270 nan 0.000 0.583 9 K N 0.543 120.928 120.400 -0.025 0.000 2.316 9 K HA 0.447 4.767 4.320 -0.000 0.000 0.251 9 K C -0.857 175.723 176.600 -0.032 0.000 0.934 9 K CA -0.583 55.688 56.287 -0.027 0.000 0.802 9 K CB 1.517 34.002 32.500 -0.024 0.000 1.171 9 K HN 0.414 nan 8.250 nan 0.000 0.426 10 I N 4.686 125.234 120.570 -0.036 0.000 2.452 10 I HA 0.017 4.187 4.170 -0.000 0.000 0.287 10 I C 1.425 177.517 176.117 -0.042 0.000 1.079 10 I CA 0.200 61.474 61.300 -0.043 0.000 1.387 10 I CB 0.249 38.221 38.000 -0.047 0.000 1.404 10 I HN 0.667 nan 8.210 nan 0.000 0.522 11 I N 3.063 123.607 120.570 -0.043 0.000 4.070 11 I HA 0.546 4.716 4.170 -0.000 0.000 0.328 11 I C 0.668 176.758 176.117 -0.046 0.000 1.298 11 I CA -0.019 61.258 61.300 -0.040 0.000 1.173 11 I CB 0.404 38.384 38.000 -0.032 0.000 1.051 11 I HN 0.497 nan 8.210 nan 0.000 0.409 12 A N 1.817 124.604 122.820 -0.055 0.000 2.574 12 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 12 A C -1.090 176.445 177.584 -0.081 0.000 1.062 12 A CA -0.495 51.504 52.037 -0.063 0.000 0.686 12 A CB 1.906 20.874 19.000 -0.052 0.000 1.285 12 A HN 0.304 nan 8.150 nan 0.000 0.403 13 M N 2.432 121.974 119.600 -0.098 0.000 2.204 13 M HA 0.460 4.940 4.480 -0.000 0.000 0.293 13 M C -2.035 174.161 176.300 -0.173 0.000 0.994 13 M CA -0.384 54.843 55.300 -0.121 0.000 0.925 13 M CB 1.494 34.022 32.600 -0.119 0.000 1.577 13 M HN 0.695 nan 8.290 nan 0.000 0.439 14 D N 6.141 126.414 120.400 -0.212 0.000 2.498 14 D HA 0.591 5.231 4.640 -0.000 0.000 0.247 14 D C -1.079 174.883 176.300 -0.562 0.000 1.070 14 D CA -0.198 53.540 54.000 -0.437 0.000 0.842 14 D CB 2.511 43.020 40.800 -0.484 0.000 1.361 14 D HN 0.601 nan 8.370 nan 0.000 0.484 15 L N 0.854 121.670 121.223 -0.677 0.000 2.354 15 L HA 0.566 4.906 4.340 -0.000 0.000 0.269 15 L C -0.811 175.824 176.870 -0.391 0.000 1.005 15 L CA -0.869 53.725 54.840 -0.411 0.000 0.819 15 L CB 2.550 44.331 42.059 -0.462 0.000 1.311 15 L HN 0.211 nan 8.230 nan 0.000 0.423 16 W N 1.624 123.078 121.300 0.256 0.000 2.756 16 W HA 0.268 4.928 4.660 -0.000 0.000 0.333 16 W C -0.668 176.048 176.519 0.328 0.000 1.025 16 W CA -0.657 56.855 57.345 0.278 0.000 1.246 16 W CB 1.605 31.179 29.460 0.190 0.000 1.358 16 W HN 0.601 nan 8.180 nan 0.000 0.444 17 H N 3.995 123.289 119.070 0.375 0.000 2.705 17 H HA 0.488 5.044 4.556 -0.000 0.000 0.291 17 H C -0.604 174.833 175.328 0.182 0.000 1.085 17 H CA -0.152 56.035 56.048 0.231 0.000 1.357 17 H CB 0.623 30.409 29.762 0.040 0.000 1.419 17 H HN 0.281 nan 8.280 nan 0.000 0.462 18 L N 4.009 125.500 121.223 0.447 0.000 2.352 18 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 18 L C -0.170 176.818 176.870 0.196 0.000 1.034 18 L CA -1.093 53.901 54.840 0.257 0.000 0.806 18 L CB 1.761 43.923 42.059 0.171 0.000 1.244 18 L HN 0.657 nan 8.230 nan 0.000 0.447 19 A N 3.515 126.391 122.820 0.093 0.000 2.409 19 A HA 0.665 4.985 4.320 -0.000 0.000 0.300 19 A C -0.802 176.766 177.584 -0.028 0.000 1.273 19 A CA -0.403 51.658 52.037 0.040 0.000 0.774 19 A CB 0.384 19.389 19.000 0.009 0.000 1.144 19 A HN 0.597 nan 8.150 nan 0.000 0.472 20 L N 3.118 124.276 121.223 -0.110 0.000 2.282 20 L HA 0.417 4.757 4.340 -0.000 0.000 0.288 20 L C -2.322 174.427 176.870 -0.201 0.000 1.033 20 L CA -2.071 52.595 54.840 -0.289 0.000 0.807 20 L CB 1.642 43.508 42.059 -0.322 0.000 1.209 20 L HN 0.388 nan 8.230 nan 0.000 0.423 21 P HA 0.070 nan 4.420 nan 0.000 0.269 21 P C -0.471 176.691 177.300 -0.230 0.000 1.209 21 P CA -0.238 62.777 63.100 -0.141 0.000 0.776 21 P CB 0.952 32.616 31.700 -0.060 0.000 0.876 38 E N 4.788 125.074 120.200 0.143 0.000 2.197 38 E HA 0.765 5.115 4.350 -0.000 0.000 0.281 38 E C -0.074 176.618 176.600 0.154 0.000 0.995 38 E CA -0.325 56.177 56.400 0.169 0.000 0.808 38 E CB 1.580 31.414 29.700 0.223 0.000 1.093 38 E HN 0.747 nan 8.360 nan 0.000 0.394 39 I N -1.709 118.949 120.570 0.146 0.000 3.191 39 I HA 0.637 4.807 4.170 -0.000 0.000 0.313 39 I C -1.163 175.025 176.117 0.118 0.000 1.193 39 I CA -1.269 60.095 61.300 0.106 0.000 0.968 39 I CB 1.943 39.992 38.000 0.082 0.000 1.262 39 I HN 0.137 nan 8.210 nan 0.000 0.456 40 V N 3.404 123.380 119.914 0.103 0.000 2.444 40 V HA 0.473 4.593 4.120 -0.000 0.000 0.294 40 V C -0.163 176.045 176.094 0.189 0.000 1.022 40 V CA -0.609 61.788 62.300 0.162 0.000 0.850 40 V CB 1.656 33.547 31.823 0.114 0.000 0.992 40 V HN 0.538 nan 8.190 nan 0.000 0.426 41 V N 6.040 126.131 119.914 0.296 0.000 2.483 41 V HA 0.547 4.667 4.120 -0.000 0.000 0.295 41 V C -0.325 176.036 176.094 0.445 0.000 1.035 41 V CA -0.600 61.900 62.300 0.332 0.000 0.896 41 V CB 1.716 33.723 31.823 0.307 0.000 0.986 41 V HN 0.687 nan 8.190 nan 0.000 0.447 42 L N 5.268 126.704 121.223 0.355 0.000 2.346 42 L HA 0.734 5.074 4.340 -0.000 0.000 0.274 42 L C -0.422 176.635 176.870 0.312 0.000 1.007 42 L CA -0.233 54.765 54.840 0.264 0.000 0.818 42 L CB 1.527 43.647 42.059 0.102 0.000 1.284 42 L HN 0.718 nan 8.230 nan 0.000 0.424 43 R N 5.330 125.943 120.500 0.189 0.000 2.575 43 R HA 0.639 4.979 4.340 -0.000 0.000 0.293 43 R C -2.108 174.095 176.300 -0.161 0.000 0.983 43 R CA -0.659 55.379 56.100 -0.103 0.000 0.887 43 R CB 1.311 31.664 30.300 0.090 0.000 1.184 43 R HN 0.812 nan 8.270 nan 0.000 0.445 44 L N 4.279 125.352 121.223 -0.251 0.000 2.346 44 L HA 0.576 4.916 4.340 -0.000 0.000 0.276 44 L C -0.755 176.012 176.870 -0.171 0.000 1.006 44 L CA -1.149 53.593 54.840 -0.164 0.000 0.817 44 L CB 2.267 44.252 42.059 -0.124 0.000 1.272 44 L HN 0.322 nan 8.230 nan 0.000 0.421 45 V N 2.071 121.917 119.914 -0.113 0.000 2.540 45 V HA 0.699 4.819 4.120 -0.000 0.000 0.302 45 V C 0.227 176.283 176.094 -0.064 0.000 1.035 45 V CA -0.543 61.704 62.300 -0.088 0.000 0.873 45 V CB 1.681 33.467 31.823 -0.061 0.000 0.992 45 V HN 0.887 nan 8.190 nan 0.000 0.428 46 A N 2.846 125.632 122.820 -0.056 0.000 2.248 46 A HA 0.598 4.918 4.320 -0.000 0.000 0.316 46 A C 0.955 178.519 177.584 -0.033 0.000 1.101 46 A CA -0.374 51.637 52.037 -0.044 0.000 0.875 46 A CB 0.499 19.473 19.000 -0.043 0.000 1.207 46 A HN 0.899 nan 8.150 nan 0.000 0.504 47 E N 0.454 120.638 120.200 -0.028 0.000 2.085 47 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 47 E C 1.785 178.374 176.600 -0.018 0.000 0.994 47 E CA 1.301 57.688 56.400 -0.022 0.000 0.801 47 E CB -0.237 29.451 29.700 -0.020 0.000 0.743 47 E HN 0.837 nan 8.360 nan 0.000 0.453 48 G N -0.329 108.459 108.800 -0.020 0.000 2.586 48 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.215 48 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.215 48 G C 1.124 176.016 174.900 -0.014 0.000 1.128 48 G CA 0.674 45.764 45.100 -0.016 0.000 0.774 48 G HN 0.469 nan 8.290 nan 0.000 0.543 49 G N -1.264 107.525 108.800 -0.018 0.000 2.213 49 G HA2 0.109 4.069 3.960 -0.000 0.000 0.226 49 G HA3 0.109 4.069 3.960 -0.000 0.000 0.226 49 G C 0.664 175.553 174.900 -0.019 0.000 0.992 49 G CA 0.430 45.522 45.100 -0.014 0.000 0.632 49 G HN 1.417 nan 8.290 nan 0.000 0.511 50 A N 0.268 123.073 122.820 -0.026 0.000 2.520 50 A HA 0.545 4.865 4.320 -0.000 0.000 0.235 50 A C 0.383 177.932 177.584 -0.058 0.000 1.065 50 A CA 0.884 52.902 52.037 -0.032 0.000 0.764 50 A CB 0.184 19.163 19.000 -0.035 0.000 1.002 50 A HN 0.552 nan 8.150 nan 0.000 0.502 51 E N 0.093 120.251 120.200 -0.070 0.000 2.238 51 E HA 0.578 4.928 4.350 -0.000 0.000 0.267 51 E C -0.120 176.353 176.600 -0.213 0.000 0.887 51 E CA -0.614 55.684 56.400 -0.170 0.000 0.769 51 E CB 2.251 31.846 29.700 -0.176 0.000 1.187 51 E HN 0.791 nan 8.360 nan 0.000 0.416 52 G N 1.717 110.312 108.800 -0.342 0.000 2.566 52 G HA2 0.613 4.573 3.960 -0.000 0.000 0.311 52 G HA3 0.613 4.573 3.960 -0.000 0.000 0.311 52 G C -1.418 173.232 174.900 -0.417 0.000 1.322 52 G CA -0.387 44.565 45.100 -0.247 0.000 0.969 52 G HN 0.250 nan 8.290 nan 0.000 0.490 53 F N 0.308 120.271 119.950 0.022 0.000 2.546 53 F HA 0.816 5.343 4.527 -0.000 0.000 0.320 53 F C 0.673 176.486 175.800 0.022 0.000 1.076 53 F CA -0.514 57.509 58.000 0.037 0.000 0.928 53 F CB 3.029 42.043 39.000 0.024 0.000 1.189 53 F HN 0.717 nan 8.300 nan 0.000 0.465 54 G N 1.135 110.086 108.800 0.252 0.000 2.733 54 G HA2 0.506 4.466 3.960 -0.000 0.000 0.297 54 G HA3 0.506 4.466 3.960 -0.000 0.000 0.297 54 G C -2.226 172.751 174.900 0.129 0.000 1.422 54 G CA -0.621 44.561 45.100 0.136 0.000 0.942 54 G HN 0.560 nan 8.290 nan 0.000 0.510 55 E N 0.402 120.644 120.200 0.071 0.000 2.212 55 E HA 0.680 5.030 4.350 -0.000 0.000 0.268 55 E C -0.587 176.043 176.600 0.050 0.000 0.902 55 E CA -0.995 55.439 56.400 0.056 0.000 0.779 55 E CB 1.939 31.637 29.700 -0.003 0.000 1.172 55 E HN 0.684 nan 8.360 nan 0.000 0.409 56 A N 2.622 125.481 122.820 0.064 0.000 2.291 56 A HA 0.462 4.782 4.320 -0.000 0.000 0.311 56 A C -0.879 176.748 177.584 0.072 0.000 1.224 56 A CA -0.667 51.408 52.037 0.063 0.000 0.821 56 A CB 1.246 20.283 19.000 0.062 0.000 1.172 56 A HN 0.447 nan 8.150 nan 0.000 0.494 57 S N 4.967 120.717 115.700 0.084 0.000 2.217 57 S HA 0.376 4.846 4.470 -0.000 0.000 0.168 57 S C -2.653 172.054 174.600 0.178 0.000 1.526 57 S CA -0.967 57.306 58.200 0.122 0.000 1.150 57 S CB 0.181 63.444 63.200 0.106 0.000 1.158 57 S HN 0.707 nan 8.310 nan 0.000 0.473 58 P HA 0.111 nan 4.420 nan 0.000 0.275 58 P C -0.733 176.765 177.300 0.329 0.000 1.228 58 P CA -0.420 62.800 63.100 0.199 0.000 0.786 58 P CB 0.926 32.689 31.700 0.106 0.000 0.927 59 W N 3.210 124.592 121.300 0.137 0.000 2.338 59 W HA 0.364 5.024 4.660 -0.000 0.000 0.315 59 W C 0.680 177.292 176.519 0.155 0.000 1.005 59 W CA -0.605 56.850 57.345 0.183 0.000 1.380 59 W CB 1.658 31.279 29.460 0.269 0.000 1.235 59 W HN 0.582 nan 8.180 nan 0.000 0.409 60 A N 3.276 125.979 122.820 -0.195 0.000 1.954 60 A HA -0.314 4.006 4.320 -0.000 0.000 0.222 60 A C 1.746 179.280 177.584 -0.082 0.000 1.199 60 A CA 3.149 55.092 52.037 -0.157 0.000 0.657 60 A CB -0.928 17.936 19.000 -0.227 0.000 0.823 60 A HN 0.961 nan 8.150 nan 0.000 0.463 61 V N -4.998 114.847 119.914 -0.115 0.000 3.461 61 V HA 0.225 4.345 4.120 -0.000 0.000 0.267 61 V C 1.686 177.972 176.094 0.321 0.000 1.186 61 V CA 1.611 63.963 62.300 0.087 0.000 1.154 61 V CB -0.448 31.433 31.823 0.096 0.000 0.802 61 V HN 0.468 nan 8.190 nan 0.000 0.474 62 F N 2.272 122.372 119.950 0.251 0.000 2.362 62 F HA 0.200 4.727 4.527 -0.000 0.000 0.264 62 F C 2.331 178.302 175.800 0.285 0.000 0.905 62 F CA 1.631 59.812 58.000 0.302 0.000 1.142 62 F CB -0.095 39.145 39.000 0.399 0.000 1.250 62 F HN 0.151 nan 8.300 nan 0.000 0.771 63 T N -1.276 113.202 114.554 -0.127 0.000 3.035 63 T HA 0.545 4.895 4.350 -0.000 0.000 0.259 63 T C 1.031 175.697 174.700 -0.056 0.000 1.078 63 T CA 0.653 62.635 62.100 -0.197 0.000 1.132 63 T CB -0.209 68.645 68.868 -0.024 0.000 0.900 63 T HN 0.818 nan 8.240 nan 0.000 0.480 64 G N 0.676 109.480 108.800 0.008 0.000 2.369 64 G HA2 0.371 4.331 3.960 -0.000 0.000 0.307 64 G HA3 0.371 4.331 3.960 -0.000 0.000 0.307 64 G C -0.655 174.252 174.900 0.011 0.000 1.327 64 G CA -0.465 44.627 45.100 -0.014 0.000 0.963 64 G HN 0.726 nan 8.290 nan 0.000 0.590 65 T N -1.006 113.546 114.554 -0.004 0.000 2.934 65 T HA 0.730 5.080 4.350 -0.000 0.000 0.283 65 T C -1.042 173.654 174.700 -0.007 0.000 1.005 65 T CA -0.895 61.200 62.100 -0.008 0.000 1.041 65 T CB 2.517 71.380 68.868 -0.009 0.000 1.042 65 T HN 0.380 nan 8.240 nan 0.000 0.505 66 P HA -0.066 nan 4.420 nan 0.000 0.220 66 P C 0.892 178.120 177.300 -0.120 0.000 1.148 66 P CA 1.035 64.045 63.100 -0.150 0.000 0.803 66 P CB 0.233 31.724 31.700 -0.348 0.000 0.782 67 E N 0.598 120.781 120.200 -0.028 0.000 2.077 67 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 67 E C 2.346 179.005 176.600 0.098 0.000 0.989 67 E CA 1.572 58.005 56.400 0.055 0.000 0.800 67 E CB -1.142 28.596 29.700 0.063 0.000 0.746 67 E HN 0.199 nan 8.360 nan 0.000 0.452 68 A N 0.288 123.145 122.820 0.061 0.000 1.877 68 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 68 A C 2.344 179.977 177.584 0.082 0.000 1.186 68 A CA 1.828 53.904 52.037 0.065 0.000 0.620 68 A CB -0.651 18.367 19.000 0.030 0.000 0.822 68 A HN 0.191 nan 8.150 nan 0.000 0.443 69 S N -2.066 113.675 115.700 0.068 0.000 2.402 69 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 69 S C 1.739 176.388 174.600 0.081 0.000 1.021 69 S CA 1.207 59.446 58.200 0.064 0.000 0.974 69 S CB -0.471 62.758 63.200 0.047 0.000 0.800 69 S HN 0.666 nan 8.310 nan 0.000 0.484 70 Y N 2.135 122.434 120.300 -0.002 0.000 2.133 70 Y HA -0.104 4.446 4.550 -0.000 0.000 0.287 70 Y C 2.423 178.351 175.900 0.046 0.000 1.134 70 Y CA 1.268 59.376 58.100 0.013 0.000 1.133 70 Y CB -0.612 37.855 38.460 0.012 0.000 0.987 70 Y HN 0.232 nan 8.280 nan 0.000 0.502 71 A N 0.257 123.243 122.820 0.278 0.000 1.969 71 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 71 A C 2.351 180.088 177.584 0.255 0.000 1.169 71 A CA 1.596 53.782 52.037 0.249 0.000 0.635 71 A CB -1.407 17.764 19.000 0.284 0.000 0.810 71 A HN 0.594 nan 8.150 nan 0.000 0.445 72 A N -0.165 122.775 122.820 0.201 0.000 1.883 72 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 72 A C 2.198 179.860 177.584 0.130 0.000 1.186 72 A CA 1.588 53.745 52.037 0.200 0.000 0.624 72 A CB -0.571 18.472 19.000 0.071 0.000 0.822 72 A HN 0.468 nan 8.150 nan 0.000 0.444 73 L N -1.030 120.196 121.223 0.004 0.000 2.023 73 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 73 L C 2.487 179.277 176.870 -0.133 0.000 1.073 73 L CA 1.706 56.501 54.840 -0.075 0.000 0.745 73 L CB -0.581 41.394 42.059 -0.140 0.000 0.900 73 L HN 0.407 nan 8.230 nan 0.000 0.435 74 D N -0.318 119.939 120.400 -0.239 0.000 2.123 74 D HA -0.231 4.409 4.640 -0.000 0.000 0.196 74 D C 2.307 178.512 176.300 -0.159 0.000 0.992 74 D CA 1.453 55.303 54.000 -0.250 0.000 0.833 74 D CB 0.194 40.792 40.800 -0.338 0.000 0.954 74 D HN 0.071 nan 8.370 nan 0.000 0.455 75 R N -2.043 118.368 120.500 -0.149 0.000 2.164 75 R HA 0.024 4.364 4.340 -0.000 0.000 0.198 75 R C 1.847 177.890 176.300 -0.427 0.000 1.028 75 R CA 0.234 56.140 56.100 -0.322 0.000 1.083 75 R CB -0.077 29.923 30.300 -0.500 0.000 1.026 75 R HN 0.203 nan 8.270 nan 0.000 0.514 76 Y N 0.247 120.525 120.300 -0.035 0.000 2.347 76 Y HA 0.111 4.661 4.550 -0.000 0.000 0.294 76 Y C 1.881 177.759 175.900 -0.037 0.000 1.117 76 Y CA 0.635 58.717 58.100 -0.031 0.000 1.184 76 Y CB 0.216 38.662 38.460 -0.023 0.000 1.047 76 Y HN -0.023 nan 8.280 nan 0.000 0.546 77 L N -0.630 120.642 121.223 0.082 0.000 2.416 77 L HA 0.069 4.409 4.340 -0.000 0.000 0.216 77 L C 2.477 179.335 176.870 -0.019 0.000 1.098 77 L CA 0.322 55.179 54.840 0.028 0.000 0.840 77 L CB -0.265 41.805 42.059 0.018 0.000 0.981 77 L HN 0.082 nan 8.230 nan 0.000 0.462 78 R N 1.564 122.034 120.500 -0.049 0.000 2.096 78 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 78 R C -0.551 175.715 176.300 -0.058 0.000 1.139 78 R CA 2.031 58.089 56.100 -0.070 0.000 0.952 78 R CB -1.141 29.099 30.300 -0.099 0.000 0.854 78 R HN 0.222 nan 8.270 nan 0.000 0.436 79 P HA -0.104 nan 4.420 nan 0.000 0.230 79 P C 0.987 178.269 177.300 -0.030 0.000 1.158 79 P CA 0.927 64.000 63.100 -0.045 0.000 0.769 79 P CB 0.065 31.736 31.700 -0.049 0.000 0.807 80 L N -1.200 120.010 121.223 -0.022 0.000 2.477 80 L HA 0.079 4.419 4.340 -0.000 0.000 0.220 80 L C 2.220 179.078 176.870 -0.020 0.000 1.106 80 L CA 0.737 55.568 54.840 -0.015 0.000 0.851 80 L CB -0.396 41.660 42.059 -0.004 0.000 0.994 80 L HN -0.092 nan 8.230 nan 0.000 0.462 81 V N -1.004 118.893 119.914 -0.028 0.000 2.806 81 V HA 0.110 4.230 4.120 -0.000 0.000 0.239 81 V C 1.232 177.304 176.094 -0.037 0.000 1.113 81 V CA -0.095 62.185 62.300 -0.032 0.000 1.137 81 V CB 0.678 32.479 31.823 -0.038 0.000 0.865 81 V HN 0.010 nan 8.190 nan 0.000 0.482 82 I N 2.172 122.716 120.570 -0.042 0.000 2.662 82 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 82 I C 1.516 177.612 176.117 -0.035 0.000 1.161 82 I CA 1.727 63.001 61.300 -0.043 0.000 1.415 82 I CB -0.490 37.481 38.000 -0.048 0.000 1.385 82 I HN 0.542 nan 8.210 nan 0.000 0.552 83 G N 6.041 114.821 108.800 -0.033 0.000 2.175 83 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 83 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 83 G C 0.556 175.441 174.900 -0.025 0.000 0.982 83 G CA -0.447 44.636 45.100 -0.028 0.000 0.641 83 G HN 0.479 nan 8.290 nan 0.000 0.527 84 R N 0.340 120.825 120.500 -0.026 0.000 2.528 84 R HA 0.544 4.884 4.340 -0.000 0.000 0.271 84 R C 0.673 176.959 176.300 -0.024 0.000 1.056 84 R CA -0.637 55.450 56.100 -0.023 0.000 1.117 84 R CB 0.413 30.700 30.300 -0.023 0.000 1.085 84 R HN 0.347 nan 8.270 nan 0.000 0.530 85 R N 0.497 120.985 120.500 -0.021 0.000 2.340 85 R HA 0.119 4.459 4.340 -0.000 0.000 0.300 85 R C 1.424 177.710 176.300 -0.023 0.000 1.069 85 R CA -0.376 55.711 56.100 -0.021 0.000 0.984 85 R CB 0.779 31.068 30.300 -0.018 0.000 1.003 85 R HN 0.308 nan 8.270 nan 0.000 0.459 86 V N 2.720 122.618 119.914 -0.027 0.000 2.453 86 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 86 V C 2.084 178.163 176.094 -0.025 0.000 1.068 86 V CA 2.358 64.641 62.300 -0.030 0.000 1.070 86 V CB -0.581 31.221 31.823 -0.034 0.000 0.664 86 V HN 1.101 nan 8.190 nan 0.000 0.461 87 G N -0.814 107.973 108.800 -0.022 0.000 2.679 87 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 87 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 87 G C 0.710 175.601 174.900 -0.015 0.000 1.137 87 G CA 0.335 45.424 45.100 -0.018 0.000 0.787 87 G HN 0.503 nan 8.290 nan 0.000 0.534 88 D N -0.205 120.187 120.400 -0.015 0.000 2.434 88 D HA 0.117 4.757 4.640 -0.000 0.000 0.232 88 D C 1.948 178.242 176.300 -0.011 0.000 1.166 88 D CA -0.249 53.744 54.000 -0.012 0.000 0.830 88 D CB 0.234 41.027 40.800 -0.012 0.000 0.960 88 D HN 0.261 nan 8.370 nan 0.000 0.497 89 R N 0.256 120.750 120.500 -0.011 0.000 2.094 89 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 89 R C 1.665 177.963 176.300 -0.003 0.000 1.137 89 R CA 1.438 57.533 56.100 -0.009 0.000 0.943 89 R CB -0.256 30.038 30.300 -0.010 0.000 0.850 89 R HN 0.017 nan 8.270 nan 0.000 0.433 90 V N 0.991 120.905 119.914 -0.001 0.000 2.324 90 V HA -0.294 3.826 4.120 -0.000 0.000 0.250 90 V C 2.499 178.594 176.094 0.001 0.000 1.060 90 V CA 2.050 64.352 62.300 0.003 0.000 1.042 90 V CB -0.943 30.883 31.823 0.005 0.000 0.650 90 V HN 0.606 nan 8.190 nan 0.000 0.450 91 A N -0.081 122.738 122.820 -0.002 0.000 1.873 91 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 91 A C 2.191 179.773 177.584 -0.004 0.000 1.186 91 A CA 1.889 53.924 52.037 -0.003 0.000 0.616 91 A CB -0.516 18.481 19.000 -0.005 0.000 0.823 91 A HN 0.500 nan 8.150 nan 0.000 0.442 92 I N -0.655 119.912 120.570 -0.005 0.000 2.179 92 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 92 I C 2.597 178.712 176.117 -0.003 0.000 1.088 92 I CA 1.288 62.584 61.300 -0.006 0.000 1.357 92 I CB -0.366 37.628 38.000 -0.010 0.000 1.051 92 I HN 0.271 nan 8.210 nan 0.000 0.409 93 M N -0.124 119.476 119.600 -0.000 0.000 2.175 93 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 93 M C 1.934 178.236 176.300 0.003 0.000 1.063 93 M CA 1.575 56.877 55.300 0.004 0.000 1.119 93 M CB -1.321 31.284 32.600 0.008 0.000 1.377 93 M HN 0.211 nan 8.290 nan 0.000 0.415 94 D N 0.447 120.848 120.400 0.002 0.000 2.117 94 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 94 D C 1.794 178.092 176.300 -0.003 0.000 0.987 94 D CA 1.466 55.467 54.000 0.001 0.000 0.829 94 D CB 0.179 40.979 40.800 0.001 0.000 0.961 94 D HN 0.439 nan 8.370 nan 0.000 0.460 95 E N -0.202 119.996 120.200 -0.003 0.000 2.046 95 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 95 E C 2.195 178.793 176.600 -0.004 0.000 0.982 95 E CA 0.851 57.248 56.400 -0.005 0.000 0.800 95 E CB -0.187 29.511 29.700 -0.003 0.000 0.756 95 E HN 0.318 nan 8.360 nan 0.000 0.449 96 A N 1.653 124.472 122.820 -0.002 0.000 1.917 96 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 96 A C 2.421 179.999 177.584 -0.009 0.000 1.182 96 A CA 1.897 53.934 52.037 0.001 0.000 0.633 96 A CB -0.857 18.145 19.000 0.003 0.000 0.819 96 A HN 0.307 nan 8.150 nan 0.000 0.448 97 A N -0.336 122.477 122.820 -0.011 0.000 1.948 97 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 97 A C 2.227 179.785 177.584 -0.043 0.000 1.177 97 A CA 1.727 53.750 52.037 -0.022 0.000 0.636 97 A CB -0.415 18.577 19.000 -0.014 0.000 0.815 97 A HN 0.597 nan 8.150 nan 0.000 0.449 98 R N -1.098 119.381 120.500 -0.035 0.000 2.280 98 R HA 0.251 4.591 4.340 -0.000 0.000 0.195 98 R C 2.186 178.460 176.300 -0.042 0.000 0.935 98 R CA 0.628 56.702 56.100 -0.044 0.000 1.033 98 R CB -0.159 30.122 30.300 -0.031 0.000 0.964 98 R HN 0.478 nan 8.270 nan 0.000 0.489 99 A N 0.946 123.750 122.820 -0.025 0.000 1.968 99 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 99 A C 0.941 178.505 177.584 -0.033 0.000 1.169 99 A CA 0.788 52.824 52.037 -0.002 0.000 0.638 99 A CB 0.394 19.412 19.000 0.029 0.000 0.812 99 A HN 0.114 nan 8.150 nan 0.000 0.446 100 V N -1.238 118.627 119.914 -0.081 0.000 2.851 100 V HA 0.616 4.736 4.120 -0.000 0.000 0.307 100 V C -0.359 175.629 176.094 -0.178 0.000 1.129 100 V CA -0.611 61.585 62.300 -0.173 0.000 0.932 100 V CB 1.481 33.200 31.823 -0.173 0.000 1.024 100 V HN 0.692 nan 8.190 nan 0.000 0.426 101 A N 4.652 127.329 122.820 -0.239 0.000 2.407 101 A HA 0.665 4.985 4.320 -0.000 0.000 0.248 101 A C 0.426 177.832 177.584 -0.297 0.000 1.082 101 A CA 1.206 53.022 52.037 -0.368 0.000 0.785 101 A CB -0.409 18.311 19.000 -0.468 0.000 1.020 101 A HN 1.653 nan 8.150 nan 0.000 0.489 102 H N -0.391 118.616 119.070 -0.104 0.000 1.452 102 H HA -0.242 4.314 4.556 -0.000 0.000 0.090 102 H C 0.814 176.104 175.328 -0.064 0.000 2.537 102 H CA 0.636 56.621 56.048 -0.104 0.000 1.901 102 H CB -1.415 28.278 29.762 -0.114 0.000 2.257 102 H HN 1.495 nan 8.280 nan 0.000 0.961 103 C N 0.258 119.630 119.300 0.120 0.000 4.235 103 C HA -0.201 4.259 4.460 -0.000 0.000 0.301 103 C C 2.182 177.209 174.990 0.061 0.000 1.409 103 C CA 1.242 60.299 59.018 0.065 0.000 2.024 103 C CB -2.962 24.800 27.740 0.037 0.000 1.286 103 C HN 0.979 nan 8.230 nan 0.000 0.746 104 T N -2.334 112.272 114.554 0.087 0.000 2.962 104 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 104 T C 1.170 175.922 174.700 0.087 0.000 1.088 104 T CA 1.818 63.977 62.100 0.099 0.000 1.127 104 T CB -0.002 68.972 68.868 0.177 0.000 0.883 104 T HN 0.737 nan 8.240 nan 0.000 0.493 105 E N 2.183 122.433 120.200 0.084 0.000 2.072 105 E HA 0.183 4.532 4.350 -0.000 0.000 0.191 105 E C 2.543 179.178 176.600 0.058 0.000 0.985 105 E CA 1.126 57.570 56.400 0.074 0.000 0.801 105 E CB -0.675 29.073 29.700 0.080 0.000 0.750 105 E HN 0.660 nan 8.360 nan 0.000 0.452 106 A N 1.353 124.203 122.820 0.051 0.000 1.898 106 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 106 A C 1.914 179.517 177.584 0.032 0.000 1.181 106 A CA 1.532 53.591 52.037 0.037 0.000 0.620 106 A CB -0.310 18.708 19.000 0.030 0.000 0.819 106 A HN 0.072 nan 8.150 nan 0.000 0.442 107 K N -0.146 120.275 120.400 0.035 0.000 2.097 107 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 107 K C 2.205 178.826 176.600 0.034 0.000 1.049 107 K CA 1.102 57.407 56.287 0.030 0.000 0.933 107 K CB -0.297 32.222 32.500 0.031 0.000 0.717 107 K HN 0.437 nan 8.250 nan 0.000 0.442 108 A N 1.380 124.227 122.820 0.044 0.000 1.930 108 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 108 A C 2.339 179.946 177.584 0.038 0.000 1.175 108 A CA 1.636 53.699 52.037 0.044 0.000 0.627 108 A CB -0.571 18.459 19.000 0.050 0.000 0.815 108 A HN 0.315 nan 8.150 nan 0.000 0.443 109 A N -0.351 122.493 122.820 0.040 0.000 1.873 109 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 109 A C 2.112 179.717 177.584 0.034 0.000 1.186 109 A CA 1.682 53.746 52.037 0.044 0.000 0.616 109 A CB -0.638 18.393 19.000 0.051 0.000 0.823 109 A HN 0.648 nan 8.150 nan 0.000 0.442 110 L N 0.427 121.663 121.223 0.022 0.000 2.017 110 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 110 L C 1.942 178.816 176.870 0.006 0.000 1.073 110 L CA 2.847 57.691 54.840 0.007 0.000 0.745 110 L CB -0.849 41.211 42.059 0.001 0.000 0.894 110 L HN 0.470 nan 8.230 nan 0.000 0.432 111 D N -1.344 119.064 120.400 0.013 0.000 2.149 111 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 111 D C 2.116 178.422 176.300 0.010 0.000 0.990 111 D CA 1.455 55.462 54.000 0.012 0.000 0.839 111 D CB 0.067 40.880 40.800 0.021 0.000 0.948 111 D HN 0.403 nan 8.370 nan 0.000 0.460 112 S N -0.560 115.152 115.700 0.019 0.000 2.368 112 S HA -0.101 4.368 4.470 -0.000 0.000 0.225 112 S C 2.057 176.664 174.600 0.013 0.000 1.030 112 S CA 1.041 59.253 58.200 0.020 0.000 0.999 112 S CB -0.386 62.835 63.200 0.034 0.000 0.844 112 S HN 0.459 nan 8.310 nan 0.000 0.459 113 A N 1.344 124.172 122.820 0.014 0.000 1.930 113 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 113 A C 2.095 179.657 177.584 -0.036 0.000 1.175 113 A CA 1.038 53.070 52.037 -0.009 0.000 0.627 113 A CB -0.676 18.312 19.000 -0.020 0.000 0.815 113 A HN 0.447 nan 8.150 nan 0.000 0.443 114 L N -0.797 120.408 121.223 -0.029 0.000 2.046 114 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 114 L C 2.538 179.384 176.870 -0.040 0.000 1.077 114 L CA 1.047 55.866 54.840 -0.036 0.000 0.747 114 L CB -0.499 41.545 42.059 -0.025 0.000 0.896 114 L HN 0.361 nan 8.230 nan 0.000 0.432 115 L N -0.547 120.654 121.223 -0.037 0.000 2.093 115 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 115 L C 2.224 179.048 176.870 -0.078 0.000 1.085 115 L CA 1.117 55.925 54.840 -0.054 0.000 0.755 115 L CB -0.429 41.602 42.059 -0.048 0.000 0.904 115 L HN 0.271 nan 8.230 nan 0.000 0.435 116 D N 0.118 120.482 120.400 -0.061 0.000 2.097 116 D HA -0.211 4.429 4.640 -0.000 0.000 0.197 116 D C 2.071 178.336 176.300 -0.059 0.000 0.984 116 D CA 0.998 54.964 54.000 -0.057 0.000 0.826 116 D CB 0.074 40.873 40.800 -0.002 0.000 0.973 116 D HN 0.065 nan 8.370 nan 0.000 0.460 117 L N 0.475 121.660 121.223 -0.062 0.000 2.017 117 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 117 L C 2.184 179.017 176.870 -0.061 0.000 1.073 117 L CA 2.183 56.983 54.840 -0.067 0.000 0.745 117 L CB -1.032 40.983 42.059 -0.074 0.000 0.894 117 L HN 0.085 nan 8.230 nan 0.000 0.432 118 A N -0.724 122.059 122.820 -0.062 0.000 1.933 118 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 118 A C 2.331 179.870 177.584 -0.075 0.000 1.175 118 A CA 1.487 53.487 52.037 -0.061 0.000 0.628 118 A CB -1.531 17.435 19.000 -0.057 0.000 0.814 118 A HN 0.529 nan 8.150 nan 0.000 0.444 119 G N -0.549 108.194 108.800 -0.095 0.000 2.418 119 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 119 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 119 G C 1.698 176.541 174.900 -0.094 0.000 1.158 119 G CA 0.720 45.747 45.100 -0.122 0.000 0.771 119 G HN 0.417 nan 8.290 nan 0.000 0.545 120 R N 0.267 120.725 120.500 -0.069 0.000 2.073 120 R HA 0.005 4.345 4.340 -0.000 0.000 0.234 120 R C 2.509 178.782 176.300 -0.043 0.000 1.134 120 R CA 0.735 56.807 56.100 -0.046 0.000 0.952 120 R CB -0.879 29.403 30.300 -0.031 0.000 0.850 120 R HN 0.314 nan 8.270 nan 0.000 0.433 121 I N 1.326 121.868 120.570 -0.046 0.000 2.163 121 I HA -0.208 3.961 4.170 -0.000 0.000 0.243 121 I C 2.195 178.288 176.117 -0.041 0.000 1.085 121 I CA 1.838 63.115 61.300 -0.039 0.000 1.347 121 I CB -1.245 36.732 38.000 -0.039 0.000 1.044 121 I HN 0.165 nan 8.210 nan 0.000 0.408 122 S N 0.021 115.690 115.700 -0.051 0.000 2.575 122 S HA 0.013 4.483 4.470 -0.000 0.000 0.215 122 S C 0.838 175.403 174.600 -0.059 0.000 0.966 122 S CA 0.245 58.414 58.200 -0.052 0.000 0.911 122 S CB -0.555 62.610 63.200 -0.058 0.000 0.780 122 S HN 0.525 nan 8.310 nan 0.000 0.514 123 N N 0.290 118.952 118.700 -0.063 0.000 2.746 123 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 123 N C -1.133 174.318 175.510 -0.099 0.000 1.055 123 N CA 0.585 53.596 53.050 -0.065 0.000 0.699 123 N CB -1.839 36.621 38.487 -0.044 0.000 0.919 123 N HN 0.673 nan 8.380 nan 0.000 0.548 124 L N -0.246 120.892 121.223 -0.142 0.000 2.409 124 L HA 0.691 5.031 4.340 -0.000 0.000 0.262 124 L C -2.159 174.524 176.870 -0.313 0.000 0.992 124 L CA -1.880 52.820 54.840 -0.233 0.000 0.817 124 L CB 2.403 44.321 42.059 -0.234 0.000 1.350 124 L HN -0.042 nan 8.230 nan 0.000 0.411 125 P HA 0.083 nan 4.420 nan 0.000 0.277 125 P C 0.804 177.722 177.300 -0.637 0.000 1.240 125 P CA -0.319 62.449 63.100 -0.552 0.000 0.798 125 P CB 1.671 32.919 31.700 -0.753 0.000 0.979 126 V N 2.306 121.830 119.914 -0.650 0.000 2.380 126 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 126 V C 2.334 178.330 176.094 -0.164 0.000 1.063 126 V CA 2.208 64.229 62.300 -0.466 0.000 1.055 126 V CB -1.450 30.019 31.823 -0.590 0.000 0.657 126 V HN 0.735 nan 8.190 nan 0.000 0.455 127 W N 0.544 121.906 121.300 0.104 0.000 2.392 127 W HA -0.082 4.578 4.660 -0.000 0.000 0.279 127 W C 2.116 178.687 176.519 0.087 0.000 1.225 127 W CA 0.865 58.317 57.345 0.179 0.000 1.233 127 W CB -0.982 28.637 29.460 0.265 0.000 1.122 127 W HN 0.295 nan 8.180 nan 0.000 0.561 128 A N 1.523 124.219 122.820 -0.208 0.000 2.119 128 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 128 A C 2.089 179.657 177.584 -0.028 0.000 1.153 128 A CA 0.949 52.891 52.037 -0.160 0.000 0.692 128 A CB -0.775 17.886 19.000 -0.567 0.000 0.799 128 A HN 0.386 nan 8.150 nan 0.000 0.458 129 L N -0.952 120.243 121.223 -0.047 0.000 2.592 129 L HA 0.213 4.553 4.340 -0.000 0.000 0.227 129 L C 0.901 177.795 176.870 0.040 0.000 1.127 129 L CA 0.088 54.917 54.840 -0.019 0.000 0.884 129 L CB 0.056 42.080 42.059 -0.058 0.000 1.065 129 L HN 0.301 nan 8.230 nan 0.000 0.457 130 L N -0.754 120.531 121.223 0.102 0.000 2.857 130 L HA 0.405 4.745 4.340 -0.000 0.000 0.249 130 L C 1.232 178.180 176.870 0.131 0.000 1.172 130 L CA 0.364 55.275 54.840 0.119 0.000 0.980 130 L CB 0.440 42.592 42.059 0.155 0.000 1.299 130 L HN 0.328 nan 8.230 nan 0.000 0.535 131 G N -0.581 108.301 108.800 0.136 0.000 2.231 131 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.206 131 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.206 131 G C 0.502 175.507 174.900 0.176 0.000 0.996 131 G CA -0.261 44.916 45.100 0.127 0.000 0.645 131 G HN 0.817 nan 8.290 nan 0.000 0.498 132 G N -0.691 108.287 108.800 0.296 0.000 2.318 132 G HA2 0.461 4.421 3.960 -0.000 0.000 0.367 132 G HA3 0.461 4.421 3.960 -0.000 0.000 0.367 132 G C -0.676 174.376 174.900 0.253 0.000 1.260 132 G CA 0.376 45.715 45.100 0.400 0.000 1.055 132 G HN 1.263 nan 8.290 nan 0.000 0.484 133 K N -1.461 118.882 120.400 -0.095 0.000 2.318 133 K HA 0.649 4.969 4.320 -0.000 0.000 0.249 133 K C 0.904 177.366 176.600 -0.230 0.000 0.942 133 K CA -0.327 55.714 56.287 -0.410 0.000 0.808 133 K CB 1.575 33.375 32.500 -1.168 0.000 1.189 133 K HN 1.490 nan 8.250 nan 0.000 0.428 134 C N 1.718 120.906 119.300 -0.187 0.000 3.559 134 C HA 0.458 4.918 4.460 -0.000 0.000 0.314 134 C C -0.159 174.759 174.990 -0.119 0.000 1.419 134 C CA -0.595 58.356 59.018 -0.113 0.000 1.775 134 C CB -0.800 26.906 27.740 -0.057 0.000 2.430 134 C HN 0.903 nan 8.230 nan 0.000 0.686 135 R N -0.008 120.391 120.500 -0.169 0.000 2.629 135 R HA 0.506 4.846 4.340 -0.000 0.000 0.266 135 R C -1.155 175.032 176.300 -0.188 0.000 1.051 135 R CA -0.429 55.588 56.100 -0.139 0.000 0.895 135 R CB 0.668 30.916 30.300 -0.087 0.000 1.246 135 R HN -0.094 nan 8.270 nan 0.000 0.459 136 D N 0.699 121.014 120.400 -0.142 0.000 2.366 136 D HA 0.018 4.658 4.640 -0.000 0.000 0.205 136 D C 0.259 176.499 176.300 -0.100 0.000 1.022 136 D CA 1.269 55.186 54.000 -0.138 0.000 0.868 136 D CB 0.842 41.583 40.800 -0.097 0.000 0.953 136 D HN 0.716 nan 8.370 nan 0.000 0.514 137 T N -1.771 112.737 114.554 -0.076 0.000 2.864 137 T HA 0.717 5.067 4.350 -0.000 0.000 0.299 137 T C -0.660 174.019 174.700 -0.034 0.000 1.166 137 T CA -0.848 61.220 62.100 -0.053 0.000 1.007 137 T CB 2.145 70.989 68.868 -0.041 0.000 1.219 137 T HN -0.121 nan 8.240 nan 0.000 0.506 138 I N 1.272 121.833 120.570 -0.014 0.000 2.499 138 I HA 0.403 4.573 4.170 -0.000 0.000 0.288 138 I C -2.787 173.332 176.117 0.004 0.000 1.048 138 I CA -2.782 58.518 61.300 0.000 0.000 1.062 138 I CB 2.624 40.640 38.000 0.026 0.000 1.238 138 I HN 0.392 nan 8.210 nan 0.000 0.426 139 P HA 0.032 nan 4.420 nan 0.000 0.263 139 P C -0.787 176.518 177.300 0.009 0.000 1.195 139 P CA -0.088 63.020 63.100 0.014 0.000 0.762 139 P CB 0.476 32.190 31.700 0.023 0.000 0.799 140 L N 3.562 124.800 121.223 0.025 0.000 2.307 140 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 140 L C -0.059 176.818 176.870 0.011 0.000 1.051 140 L CA 0.067 54.926 54.840 0.031 0.000 0.804 140 L CB 1.407 43.526 42.059 0.099 0.000 1.197 140 L HN 0.220 nan 8.230 nan 0.000 0.431 141 S N 4.528 120.227 115.700 -0.002 0.000 2.482 141 S HA 0.579 5.049 4.470 -0.000 0.000 0.303 141 S C -0.925 173.611 174.600 -0.107 0.000 1.091 141 S CA -0.649 57.513 58.200 -0.063 0.000 1.057 141 S CB 0.907 64.110 63.200 0.005 0.000 1.031 141 S HN 0.917 nan 8.310 nan 0.000 0.485 142 C N 4.163 123.262 119.300 -0.336 0.000 2.382 142 C HA 0.785 5.245 4.460 -0.000 0.000 0.327 142 C C 0.470 174.989 174.990 -0.785 0.000 1.250 142 C CA -0.308 58.313 59.018 -0.662 0.000 1.707 142 C CB 0.598 27.947 27.740 -0.653 0.000 2.272 142 C HN 0.942 nan 8.230 nan 0.000 0.506 143 S N 4.708 119.701 115.700 -1.179 0.000 2.584 143 S HA 0.557 5.027 4.470 -0.000 0.000 0.273 143 S C -0.304 173.993 174.600 -0.505 0.000 1.311 143 S CA -0.332 57.461 58.200 -0.679 0.000 1.034 143 S CB 0.562 63.464 63.200 -0.497 0.000 0.939 143 S HN 0.617 nan 8.310 nan 0.000 0.513 144 I N 2.684 123.058 120.570 -0.327 0.000 2.428 144 I HA 0.357 4.527 4.170 -0.000 0.000 0.279 144 I C 0.431 176.488 176.117 -0.100 0.000 1.040 144 I CA -0.280 60.901 61.300 -0.197 0.000 1.171 144 I CB 0.310 38.205 38.000 -0.175 0.000 1.312 144 I HN 0.761 nan 8.210 nan 0.000 0.470 145 A N 4.792 127.570 122.820 -0.071 0.000 2.624 145 A HA 0.204 4.524 4.320 -0.000 0.000 0.287 145 A C 0.442 177.990 177.584 -0.061 0.000 1.087 145 A CA -0.329 51.631 52.037 -0.129 0.000 0.964 145 A CB 0.044 18.911 19.000 -0.222 0.000 1.231 145 A HN 0.559 nan 8.150 nan 0.000 0.551 146 N N 1.677 120.465 118.700 0.147 0.000 2.458 146 N HA 0.186 4.926 4.740 -0.000 0.000 0.270 146 N C -1.660 174.113 175.510 0.438 0.000 1.102 146 N CA -1.544 51.639 53.050 0.222 0.000 0.967 146 N CB 1.668 40.270 38.487 0.192 0.000 1.078 146 N HN 0.067 nan 8.380 nan 0.000 0.471 147 P HA -0.090 nan 4.420 nan 0.000 0.222 147 P C -0.129 177.308 177.300 0.227 0.000 1.147 147 P CA 0.887 64.194 63.100 0.346 0.000 0.790 147 P CB 0.301 32.142 31.700 0.235 0.000 0.780 148 D N -0.445 120.111 120.400 0.261 0.000 2.500 148 D HA 0.026 4.666 4.640 -0.000 0.000 0.219 148 D C 0.674 177.171 176.300 0.328 0.000 1.137 148 D CA -0.968 53.172 54.000 0.233 0.000 0.946 148 D CB -0.437 40.449 40.800 0.143 0.000 1.022 148 D HN -0.198 nan 8.370 nan 0.000 0.518 149 F N 2.993 123.104 119.950 0.268 0.000 2.202 149 F HA -0.184 4.343 4.527 0.000 0.000 0.301 149 F C 1.548 177.410 175.800 0.103 0.000 1.082 149 F CA 1.319 59.435 58.000 0.194 0.000 1.313 149 F CB 0.137 39.245 39.000 0.179 0.000 1.024 149 F HN 0.341 nan 8.300 nan 0.000 0.495 150 D N 0.343 120.772 120.400 0.049 0.000 2.133 150 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 150 D C 2.394 178.632 176.300 -0.104 0.000 0.997 150 D CA 1.617 55.571 54.000 -0.076 0.000 0.840 150 D CB -0.580 40.232 40.800 0.019 0.000 0.947 150 D HN 0.397 nan 8.370 nan 0.000 0.452 151 A N 1.345 124.152 122.820 -0.023 0.000 1.902 151 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 151 A C 1.877 179.418 177.584 -0.072 0.000 1.181 151 A CA 1.633 53.660 52.037 -0.016 0.000 0.623 151 A CB -0.314 18.710 19.000 0.040 0.000 0.818 151 A HN 0.021 nan 8.150 nan 0.000 0.443 152 D N -0.159 120.179 120.400 -0.104 0.000 2.219 152 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 152 D C 1.796 177.892 176.300 -0.340 0.000 0.970 152 D CA 0.781 54.679 54.000 -0.170 0.000 0.851 152 D CB -0.239 40.535 40.800 -0.044 0.000 0.943 152 D HN 0.535 nan 8.370 nan 0.000 0.488 153 I N 0.829 121.113 120.570 -0.476 0.000 2.394 153 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 153 I C 2.392 178.418 176.117 -0.151 0.000 1.136 153 I CA 0.693 61.763 61.300 -0.383 0.000 1.425 153 I CB -0.109 37.681 38.000 -0.349 0.000 1.079 153 I HN -0.075 nan 8.210 nan 0.000 0.425 154 A N 0.899 123.648 122.820 -0.117 0.000 1.873 154 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 154 A C 2.236 179.788 177.584 -0.054 0.000 1.186 154 A CA 1.351 53.364 52.037 -0.041 0.000 0.616 154 A CB -0.779 18.208 19.000 -0.022 0.000 0.823 154 A HN 0.368 nan 8.150 nan 0.000 0.442 155 L N -0.427 120.734 121.223 -0.102 0.000 2.042 155 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 155 L C 2.392 179.140 176.870 -0.203 0.000 1.076 155 L CA 2.190 56.952 54.840 -0.129 0.000 0.749 155 L CB -0.570 41.398 42.059 -0.152 0.000 0.893 155 L HN 0.441 nan 8.230 nan 0.000 0.432 156 M N -0.993 118.425 119.600 -0.304 0.000 2.213 156 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 156 M C 2.031 178.258 176.300 -0.123 0.000 1.062 156 M CA 1.274 56.331 55.300 -0.404 0.000 1.105 156 M CB -0.365 31.647 32.600 -0.981 0.000 1.385 156 M HN 0.284 nan 8.290 nan 0.000 0.417 157 E N 0.088 120.297 120.200 0.015 0.000 2.077 157 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 157 E C 1.938 178.609 176.600 0.118 0.000 0.989 157 E CA 1.118 57.633 56.400 0.191 0.000 0.800 157 E CB -0.439 29.354 29.700 0.154 0.000 0.746 157 E HN 0.525 nan 8.360 nan 0.000 0.452 158 R N 0.881 121.418 120.500 0.063 0.000 2.073 158 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 158 R C 2.647 178.999 176.300 0.086 0.000 1.134 158 R CA 0.910 57.058 56.100 0.080 0.000 0.952 158 R CB -0.311 30.040 30.300 0.084 0.000 0.850 158 R HN 0.101 nan 8.270 nan 0.000 0.433 159 L N 0.414 121.634 121.223 -0.005 0.000 2.013 159 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 159 L C 2.941 179.926 176.870 0.192 0.000 1.073 159 L CA 1.895 56.722 54.840 -0.021 0.000 0.753 159 L CB -0.528 41.389 42.059 -0.237 0.000 0.890 159 L HN 0.298 nan 8.230 nan 0.000 0.432 160 R N 0.138 120.810 120.500 0.287 0.000 2.120 160 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 160 R C 2.239 178.597 176.300 0.097 0.000 1.123 160 R CA 1.343 57.538 56.100 0.159 0.000 0.975 160 R CB -0.177 30.138 30.300 0.025 0.000 0.866 160 R HN 0.369 nan 8.270 nan 0.000 0.446 161 A N 0.643 123.525 122.820 0.104 0.000 1.968 161 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 161 A C 1.299 178.938 177.584 0.091 0.000 1.169 161 A CA 1.476 53.561 52.037 0.081 0.000 0.638 161 A CB -0.133 18.915 19.000 0.080 0.000 0.812 161 A HN 0.341 nan 8.150 nan 0.000 0.446 162 D N -1.114 119.362 120.400 0.127 0.000 2.349 162 D HA 0.223 4.863 4.640 -0.000 0.000 0.224 162 D C 1.412 177.786 176.300 0.124 0.000 1.029 162 D CA 1.123 55.208 54.000 0.142 0.000 0.879 162 D CB 0.057 40.998 40.800 0.235 0.000 0.906 162 D HN 0.599 nan 8.370 nan 0.000 0.528 163 G N 0.186 109.054 108.800 0.113 0.000 2.176 163 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 163 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 163 G C 0.454 175.427 174.900 0.122 0.000 0.979 163 G CA 0.161 45.319 45.100 0.096 0.000 0.641 163 G HN 0.295 nan 8.290 nan 0.000 0.530 164 V N 1.110 121.119 119.914 0.157 0.000 2.493 164 V HA 0.445 4.564 4.120 -0.000 0.000 0.292 164 V C 1.661 177.899 176.094 0.240 0.000 1.016 164 V CA 1.383 63.765 62.300 0.136 0.000 1.097 164 V CB 1.222 33.067 31.823 0.036 0.000 0.947 164 V HN 0.693 nan 8.190 nan 0.000 0.479 165 G N 5.313 114.213 108.800 0.167 0.000 3.159 165 G HA2 0.390 4.350 3.960 -0.000 0.000 0.232 165 G HA3 0.390 4.350 3.960 -0.000 0.000 0.232 165 G C 0.044 175.055 174.900 0.184 0.000 1.116 165 G CA -0.124 45.118 45.100 0.236 0.000 0.767 165 G HN 0.509 nan 8.290 nan 0.000 0.547 166 L N 1.176 122.405 121.223 0.009 0.000 2.408 166 L HA 0.688 5.028 4.340 -0.000 0.000 0.268 166 L C -0.619 176.053 176.870 -0.330 0.000 0.986 166 L CA -1.223 53.549 54.840 -0.114 0.000 0.820 166 L CB 2.363 44.377 42.059 -0.075 0.000 1.303 166 L HN 0.117 nan 8.230 nan 0.000 0.411 167 I N -0.640 119.689 120.570 -0.401 0.000 2.969 167 I HA 0.617 4.787 4.170 -0.000 0.000 0.307 167 I C -1.246 174.635 176.117 -0.394 0.000 1.149 167 I CA -0.856 60.139 61.300 -0.508 0.000 1.008 167 I CB 2.532 40.095 38.000 -0.728 0.000 1.232 167 I HN 0.531 nan 8.210 nan 0.000 0.435 168 K N 4.038 124.212 120.400 -0.376 0.000 2.535 168 K HA 0.466 4.786 4.320 -0.000 0.000 0.253 168 K C -1.645 174.776 176.600 -0.298 0.000 0.953 168 K CA -0.748 55.340 56.287 -0.332 0.000 0.863 168 K CB 1.932 34.280 32.500 -0.254 0.000 1.111 168 K HN 0.720 nan 8.250 nan 0.000 0.431 169 L N 4.381 125.433 121.223 -0.286 0.000 2.361 169 L HA 0.194 4.534 4.340 -0.000 0.000 0.278 169 L C -0.232 176.509 176.870 -0.214 0.000 1.113 169 L CA 0.418 55.111 54.840 -0.245 0.000 0.849 169 L CB 0.438 42.334 42.059 -0.273 0.000 1.155 169 L HN 0.503 nan 8.230 nan 0.000 0.452 170 K N 3.893 124.206 120.400 -0.146 0.000 2.316 170 K HA 0.341 4.661 4.320 -0.000 0.000 0.289 170 K C -0.339 176.291 176.600 0.049 0.000 1.070 170 K CA -0.211 56.013 56.287 -0.105 0.000 0.928 170 K CB 0.359 32.758 32.500 -0.168 0.000 1.039 170 K HN 0.825 nan 8.250 nan 0.000 0.480 171 T N 0.306 114.798 114.554 -0.103 0.000 2.919 171 T HA 0.550 4.900 4.350 -0.000 0.000 0.282 171 T C 1.008 175.788 174.700 0.133 0.000 1.020 171 T CA -0.184 61.846 62.100 -0.118 0.000 0.994 171 T CB 1.560 70.022 68.868 -0.676 0.000 1.180 171 T HN 0.737 nan 8.240 nan 0.000 0.566 172 G N 0.259 109.209 108.800 0.250 0.000 2.220 172 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.269 172 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.269 172 G C 0.511 175.601 174.900 0.316 0.000 0.977 172 G CA 0.790 46.139 45.100 0.415 0.000 0.634 172 G HN 1.231 nan 8.290 nan 0.000 0.539 173 F N -0.371 119.670 119.950 0.151 0.000 2.615 173 F HA 0.561 5.088 4.527 0.000 0.000 0.297 173 F C 1.535 177.384 175.800 0.081 0.000 1.124 173 F CA 0.050 58.120 58.000 0.117 0.000 1.451 173 F CB -0.021 39.043 39.000 0.106 0.000 1.103 173 F HN 0.113 nan 8.300 nan 0.000 0.569 174 R N 1.278 121.457 120.500 -0.535 0.000 3.234 174 R HA 0.244 4.584 4.340 -0.000 0.000 0.223 174 R C -0.676 175.529 176.300 -0.158 0.000 1.644 174 R CA -0.199 55.618 56.100 -0.471 0.000 1.009 174 R CB -0.038 29.740 30.300 -0.869 0.000 1.959 174 R HN 0.230 nan 8.270 nan 0.000 0.534 175 D N -1.262 119.073 120.400 -0.108 0.000 2.377 175 D HA -0.002 4.638 4.640 -0.000 0.000 0.245 175 D C 1.042 177.396 176.300 0.090 0.000 1.196 175 D CA -0.097 53.912 54.000 0.015 0.000 0.962 175 D CB 0.422 41.228 40.800 0.011 0.000 1.127 175 D HN 0.504 nan 8.370 nan 0.000 0.471 176 H N 0.081 119.173 119.070 0.037 0.000 2.389 176 H HA -0.012 4.544 4.556 -0.000 0.000 0.299 176 H C 2.059 177.410 175.328 0.038 0.000 1.081 176 H CA 2.239 58.320 56.048 0.054 0.000 1.345 176 H CB -0.428 29.367 29.762 0.054 0.000 1.393 176 H HN 0.489 nan 8.280 nan 0.000 0.520 177 A N 0.083 122.895 122.820 -0.013 0.000 1.948 177 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 177 A C 2.280 179.804 177.584 -0.101 0.000 1.177 177 A CA 1.594 53.590 52.037 -0.068 0.000 0.636 177 A CB -1.273 17.738 19.000 0.018 0.000 0.815 177 A HN 0.570 nan 8.150 nan 0.000 0.449 178 F N 1.203 121.022 119.950 -0.218 0.000 2.216 178 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 178 F C 1.674 177.265 175.800 -0.348 0.000 1.085 178 F CA 1.771 59.606 58.000 -0.275 0.000 1.326 178 F CB -0.129 38.692 39.000 -0.298 0.000 1.027 178 F HN 0.256 nan 8.300 nan 0.000 0.497 179 D N 0.317 120.498 120.400 -0.365 0.000 2.103 179 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 179 D C 2.523 178.504 176.300 -0.532 0.000 0.978 179 D CA 1.154 54.877 54.000 -0.462 0.000 0.829 179 D CB -0.256 40.383 40.800 -0.268 0.000 0.981 179 D HN 0.208 nan 8.370 nan 0.000 0.464 180 I N 1.450 121.738 120.570 -0.471 0.000 2.226 180 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 180 I C 2.385 178.257 176.117 -0.407 0.000 1.100 180 I CA 0.800 61.881 61.300 -0.366 0.000 1.374 180 I CB -0.900 36.989 38.000 -0.185 0.000 1.057 180 I HN 0.099 nan 8.210 nan 0.000 0.413 181 M N 1.230 120.606 119.600 -0.374 0.000 2.073 181 M HA -0.251 4.229 4.480 -0.000 0.000 0.258 181 M C 2.436 178.446 176.300 -0.484 0.000 1.070 181 M CA 1.950 57.047 55.300 -0.339 0.000 1.103 181 M CB -0.657 31.770 32.600 -0.289 0.000 1.321 181 M HN 0.183 nan 8.290 nan 0.000 0.405 182 R N -0.143 119.874 120.500 -0.806 0.000 2.081 182 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 182 R C 2.348 178.322 176.300 -0.544 0.000 1.131 182 R CA 1.425 56.955 56.100 -0.951 0.000 0.960 182 R CB -0.512 28.971 30.300 -1.361 0.000 0.856 182 R HN 0.428 nan 8.270 nan 0.000 0.436 183 L N 0.686 121.509 121.223 -0.665 0.000 2.083 183 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 183 L C 2.291 178.784 176.870 -0.628 0.000 1.083 183 L CA 1.402 55.786 54.840 -0.760 0.000 0.752 183 L CB -0.384 40.854 42.059 -1.368 0.000 0.899 183 L HN 0.260 nan 8.230 nan 0.000 0.433 184 E N 0.095 119.968 120.200 -0.545 0.000 2.072 184 E HA -0.249 4.100 4.350 -0.000 0.000 0.191 184 E C 2.258 178.826 176.600 -0.054 0.000 0.985 184 E CA 1.131 57.433 56.400 -0.164 0.000 0.801 184 E CB -0.112 29.562 29.700 -0.042 0.000 0.750 184 E HN 0.414 nan 8.360 nan 0.000 0.452 185 L N 0.995 122.194 121.223 -0.040 0.000 2.056 185 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 185 L C 2.249 179.214 176.870 0.159 0.000 1.078 185 L CA 1.035 55.933 54.840 0.096 0.000 0.749 185 L CB -0.071 42.137 42.059 0.248 0.000 0.901 185 L HN 0.117 nan 8.230 nan 0.000 0.433 186 I N -0.016 120.648 120.570 0.157 0.000 2.226 186 I HA -0.293 3.876 4.170 -0.000 0.000 0.245 186 I C 2.724 178.937 176.117 0.160 0.000 1.100 186 I CA 1.160 62.607 61.300 0.244 0.000 1.374 186 I CB -0.596 37.477 38.000 0.122 0.000 1.057 186 I HN 0.338 nan 8.210 nan 0.000 0.413 187 A N 0.504 123.359 122.820 0.059 0.000 1.972 187 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 187 A C 2.460 180.065 177.584 0.035 0.000 1.169 187 A CA 1.696 53.765 52.037 0.054 0.000 0.635 187 A CB -0.537 18.506 19.000 0.072 0.000 0.810 187 A HN 0.386 nan 8.150 nan 0.000 0.446 188 R N -0.833 119.682 120.500 0.025 0.000 2.064 188 R HA -0.054 4.286 4.340 -0.000 0.000 0.221 188 R C 0.809 177.058 176.300 -0.084 0.000 1.136 188 R CA 1.356 57.446 56.100 -0.017 0.000 0.980 188 R CB -0.100 30.196 30.300 -0.008 0.000 0.876 188 R HN 0.348 nan 8.270 nan 0.000 0.437 189 D N -0.802 119.527 120.400 -0.118 0.000 2.348 189 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 189 D C -0.273 175.584 176.300 -0.739 0.000 0.998 189 D CA 0.759 54.521 54.000 -0.396 0.000 0.873 189 D CB 0.410 40.948 40.800 -0.436 0.000 0.925 189 D HN 0.160 nan 8.370 nan 0.000 0.524 190 F N 0.110 120.024 119.950 -0.059 0.000 2.576 190 F HA 0.232 4.759 4.527 -0.000 0.000 0.365 190 F C -1.774 173.941 175.800 -0.142 0.000 1.506 190 F CA -1.563 56.353 58.000 -0.140 0.000 1.113 190 F CB 1.452 40.440 39.000 -0.020 0.000 1.293 190 F HN -0.181 nan 8.300 nan 0.000 0.540 191 P HA -0.113 nan 4.420 nan 0.000 0.231 191 P C 0.689 177.956 177.300 -0.054 0.000 1.158 191 P CA 1.135 64.222 63.100 -0.021 0.000 0.763 191 P CB 0.427 32.101 31.700 -0.043 0.000 0.805 192 E N -0.091 120.015 120.200 -0.155 0.000 2.072 192 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 192 E C 0.559 177.088 176.600 -0.118 0.000 0.985 192 E CA 0.745 57.022 56.400 -0.205 0.000 0.801 192 E CB -0.787 28.692 29.700 -0.369 0.000 0.750 192 E HN 0.264 nan 8.360 nan 0.000 0.452 193 F N 1.254 121.214 119.950 0.015 0.000 2.459 193 F HA 0.207 4.734 4.527 -0.000 0.000 0.346 193 F C 1.051 176.818 175.800 -0.056 0.000 1.128 193 F CA -0.312 57.666 58.000 -0.037 0.000 1.268 193 F CB 0.381 39.336 39.000 -0.074 0.000 1.161 193 F HN -0.278 nan 8.300 nan 0.000 0.583 194 R N 1.228 121.809 120.500 0.135 0.000 2.349 194 R HA 0.584 4.924 4.340 -0.000 0.000 0.299 194 R C -1.218 175.043 176.300 -0.064 0.000 1.027 194 R CA -0.727 55.378 56.100 0.008 0.000 0.958 194 R CB 1.456 31.739 30.300 -0.028 0.000 1.047 194 R HN 0.374 nan 8.270 nan 0.000 0.468 195 V N 4.085 123.931 119.914 -0.113 0.000 2.459 195 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 195 V C -0.088 175.807 176.094 -0.332 0.000 1.029 195 V CA -0.873 61.307 62.300 -0.199 0.000 0.874 195 V CB 1.681 33.419 31.823 -0.142 0.000 0.985 195 V HN 0.666 nan 8.190 nan 0.000 0.438 196 R N 2.409 122.631 120.500 -0.463 0.000 2.873 196 R HA 0.871 5.211 4.340 -0.000 0.000 0.264 196 R C -1.186 174.833 176.300 -0.468 0.000 1.026 196 R CA -0.657 55.012 56.100 -0.719 0.000 1.002 196 R CB 2.105 31.688 30.300 -1.195 0.000 1.174 196 R HN 0.505 nan 8.270 nan 0.000 0.488 197 V N 0.760 120.442 119.914 -0.387 0.000 2.709 197 V HA 0.410 4.530 4.120 -0.000 0.000 0.308 197 V C -1.293 174.713 176.094 -0.146 0.000 1.062 197 V CA -0.691 61.456 62.300 -0.256 0.000 0.901 197 V CB 2.170 33.863 31.823 -0.217 0.000 1.003 197 V HN 0.646 nan 8.190 nan 0.000 0.425 198 D N 1.826 122.112 120.400 -0.190 0.000 2.686 198 D HA 0.352 4.992 4.640 -0.000 0.000 0.249 198 D C -0.359 175.860 176.300 -0.136 0.000 1.260 198 D CA -0.316 53.630 54.000 -0.090 0.000 0.910 198 D CB 1.633 42.397 40.800 -0.059 0.000 1.323 198 D HN 0.484 nan 8.370 nan 0.000 0.561 199 Y N 2.325 122.632 120.300 0.011 0.000 2.511 199 Y HA 0.061 4.611 4.550 -0.000 0.000 0.279 199 Y C 0.753 176.665 175.900 0.019 0.000 1.157 199 Y CA -0.006 58.115 58.100 0.035 0.000 1.300 199 Y CB -0.043 38.437 38.460 0.033 0.000 1.052 199 Y HN 0.425 nan 8.280 nan 0.000 0.529 200 N N 1.442 120.195 118.700 0.088 0.000 2.714 200 N HA -0.332 4.407 4.740 -0.000 0.000 0.252 200 N C 0.021 175.545 175.510 0.023 0.000 1.014 200 N CA 1.016 54.062 53.050 -0.006 0.000 0.735 200 N CB -1.461 37.013 38.487 -0.022 0.000 0.924 200 N HN 0.568 nan 8.380 nan 0.000 0.540 201 Q N -3.745 116.076 119.800 0.035 0.000 2.437 201 Q HA -0.282 4.058 4.340 -0.000 0.000 0.274 201 Q C 0.618 176.666 176.000 0.080 0.000 1.165 201 Q CA 1.494 57.317 55.803 0.033 0.000 0.925 201 Q CB -1.863 26.864 28.738 -0.018 0.000 1.327 201 Q HN 0.617 nan 8.270 nan 0.000 0.505 202 G N 0.037 108.914 108.800 0.129 0.000 3.088 202 G HA2 0.349 4.309 3.960 -0.000 0.000 0.217 202 G HA3 0.349 4.309 3.960 -0.000 0.000 0.217 202 G C 0.400 175.366 174.900 0.110 0.000 1.159 202 G CA -0.263 44.925 45.100 0.147 0.000 0.760 202 G HN 0.289 nan 8.290 nan 0.000 0.550 203 L N 1.107 122.348 121.223 0.029 0.000 2.334 203 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 203 L C -0.029 176.822 176.870 -0.030 0.000 1.075 203 L CA -0.932 53.882 54.840 -0.044 0.000 0.804 203 L CB 1.301 43.225 42.059 -0.225 0.000 1.174 203 L HN 0.011 nan 8.230 nan 0.000 0.438 204 E N 1.770 121.957 120.200 -0.022 0.000 2.314 204 E HA 0.202 4.552 4.350 -0.000 0.000 0.262 204 E C 1.158 177.717 176.600 -0.069 0.000 1.093 204 E CA -0.362 56.031 56.400 -0.012 0.000 0.908 204 E CB 1.543 31.250 29.700 0.011 0.000 1.091 204 E HN 0.459 nan 8.360 nan 0.000 0.425 205 I N 0.922 121.444 120.570 -0.079 0.000 2.118 205 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 205 I C 1.618 177.674 176.117 -0.102 0.000 1.070 205 I CA 1.914 63.131 61.300 -0.138 0.000 1.327 205 I CB -0.416 37.510 38.000 -0.124 0.000 1.034 205 I HN 0.487 nan 8.210 nan 0.000 0.405 206 D N 0.628 120.990 120.400 -0.063 0.000 2.392 206 D HA -0.221 4.419 4.640 -0.000 0.000 0.228 206 D C 1.357 177.617 176.300 -0.067 0.000 1.003 206 D CA 1.062 55.029 54.000 -0.055 0.000 0.917 206 D CB -0.435 40.346 40.800 -0.032 0.000 0.890 206 D HN 0.735 nan 8.370 nan 0.000 0.532 207 E N -1.027 119.123 120.200 -0.083 0.000 2.571 207 E HA 0.326 4.676 4.350 -0.000 0.000 0.222 207 E C 1.720 178.235 176.600 -0.142 0.000 0.904 207 E CA 0.065 56.406 56.400 -0.099 0.000 1.157 207 E CB -0.046 29.609 29.700 -0.076 0.000 1.158 207 E HN 0.103 nan 8.360 nan 0.000 0.540 208 A N 1.890 124.616 122.820 -0.156 0.000 1.859 208 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 208 A C 2.401 179.876 177.584 -0.182 0.000 1.198 208 A CA 2.081 53.997 52.037 -0.203 0.000 0.629 208 A CB -1.045 17.837 19.000 -0.197 0.000 0.830 208 A HN 0.144 nan 8.150 nan 0.000 0.446 209 V N 1.328 121.160 119.914 -0.138 0.000 2.255 209 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 209 V C 0.139 176.169 176.094 -0.106 0.000 1.051 209 V CA 2.509 64.744 62.300 -0.109 0.000 1.018 209 V CB -1.708 30.063 31.823 -0.086 0.000 0.641 209 V HN 0.524 nan 8.190 nan 0.000 0.445 210 P HA -0.174 nan 4.420 nan 0.000 0.216 210 P C 1.555 178.740 177.300 -0.191 0.000 1.153 210 P CA 1.535 64.552 63.100 -0.137 0.000 0.848 210 P CB -0.137 31.477 31.700 -0.144 0.000 0.787 211 R N -0.298 120.060 120.500 -0.237 0.000 2.075 211 R HA -0.025 4.314 4.340 -0.000 0.000 0.232 211 R C 2.463 178.782 176.300 0.032 0.000 1.126 211 R CA 1.028 56.986 56.100 -0.238 0.000 0.963 211 R CB -1.106 29.102 30.300 -0.153 0.000 0.858 211 R HN 0.078 nan 8.270 nan 0.000 0.435 212 V N 1.655 121.542 119.914 -0.045 0.000 2.343 212 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 212 V C 2.318 178.453 176.094 0.067 0.000 1.051 212 V CA 1.581 63.901 62.300 0.034 0.000 1.036 212 V CB -0.386 31.404 31.823 -0.055 0.000 0.654 212 V HN 0.280 nan 8.190 nan 0.000 0.451 213 L N -0.463 120.767 121.223 0.012 0.000 2.083 213 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 213 L C 2.444 179.338 176.870 0.040 0.000 1.083 213 L CA 1.681 56.527 54.840 0.011 0.000 0.752 213 L CB -0.630 41.416 42.059 -0.021 0.000 0.899 213 L HN 0.399 nan 8.230 nan 0.000 0.433 214 D N -0.167 120.281 120.400 0.080 0.000 2.084 214 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 214 D C 2.216 178.639 176.300 0.205 0.000 0.990 214 D CA 1.411 55.503 54.000 0.153 0.000 0.826 214 D CB 0.204 41.196 40.800 0.321 0.000 0.971 214 D HN 0.070 nan 8.370 nan 0.000 0.453 215 V N 1.595 121.698 119.914 0.315 0.000 2.407 215 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 215 V C 2.586 178.834 176.094 0.256 0.000 1.055 215 V CA 1.664 64.176 62.300 0.354 0.000 1.049 215 V CB -0.720 31.289 31.823 0.309 0.000 0.662 215 V HN 0.210 nan 8.190 nan 0.000 0.455 216 A N -0.797 122.112 122.820 0.148 0.000 2.024 216 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 216 A C 2.129 179.727 177.584 0.024 0.000 1.164 216 A CA 1.473 53.559 52.037 0.082 0.000 0.643 216 A CB -0.409 18.620 19.000 0.049 0.000 0.806 216 A HN 0.542 nan 8.150 nan 0.000 0.451 217 Q N -1.186 118.583 119.800 -0.052 0.000 2.297 217 Q HA -0.143 4.197 4.340 -0.000 0.000 0.208 217 Q C 1.274 177.111 176.000 -0.273 0.000 0.981 217 Q CA 1.137 56.819 55.803 -0.202 0.000 0.876 217 Q CB -0.444 28.093 28.738 -0.335 0.000 0.921 217 Q HN 0.782 nan 8.270 nan 0.000 0.446 218 F N 0.959 120.899 119.950 -0.016 0.000 2.780 218 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 218 F C 0.557 176.336 175.800 -0.035 0.000 1.146 218 F CA 0.210 58.191 58.000 -0.031 0.000 1.428 218 F CB -0.069 38.902 39.000 -0.049 0.000 1.115 218 F HN 0.068 nan 8.300 nan 0.000 0.583 219 Q N 0.068 119.925 119.800 0.095 0.000 2.453 219 Q HA -0.181 4.159 4.340 -0.000 0.000 0.330 219 Q C -2.311 173.706 176.000 0.027 0.000 1.417 219 Q CA -0.214 55.617 55.803 0.045 0.000 0.902 219 Q CB -1.801 26.949 28.738 0.021 0.000 1.154 219 Q HN 0.244 nan 8.270 nan 0.000 0.395 220 P HA 0.037 nan 4.420 nan 0.000 0.274 220 P C 0.239 177.477 177.300 -0.102 0.000 1.246 220 P CA -0.233 62.822 63.100 -0.075 0.000 0.795 220 P CB 0.698 32.332 31.700 -0.111 0.000 1.006 221 D N -0.233 120.045 120.400 -0.204 0.000 2.149 221 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 221 D C 0.680 176.953 176.300 -0.045 0.000 0.990 221 D CA 1.840 55.739 54.000 -0.169 0.000 0.839 221 D CB -0.312 40.319 40.800 -0.283 0.000 0.948 221 D HN 0.491 nan 8.370 nan 0.000 0.460 222 F N -2.200 117.682 119.950 -0.112 0.000 2.770 222 F HA 0.469 4.996 4.527 -0.000 0.000 0.313 222 F C -1.868 173.870 175.800 -0.103 0.000 1.154 222 F CA -1.572 56.362 58.000 -0.109 0.000 0.923 222 F CB 0.674 39.584 39.000 -0.151 0.000 1.301 222 F HN -0.334 nan 8.300 nan 0.000 0.449 223 I N 2.068 122.832 120.570 0.324 0.000 2.410 223 I HA 0.338 4.508 4.170 -0.000 0.000 0.286 223 I C -0.679 175.568 176.117 0.217 0.000 1.009 223 I CA -0.552 60.886 61.300 0.230 0.000 1.111 223 I CB 1.837 39.950 38.000 0.188 0.000 1.262 223 I HN 0.595 nan 8.210 nan 0.000 0.443 224 E N 4.497 124.822 120.200 0.208 0.000 2.301 224 E HA 0.153 4.503 4.350 -0.000 0.000 0.275 224 E C -0.254 176.401 176.600 0.091 0.000 1.030 224 E CA -0.812 55.639 56.400 0.084 0.000 0.852 224 E CB 0.943 30.680 29.700 0.060 0.000 1.060 224 E HN 0.346 nan 8.360 nan 0.000 0.401 225 Q N 2.148 121.953 119.800 0.008 0.000 2.314 225 Q HA -0.191 4.149 4.340 -0.000 0.000 0.348 225 Q C -2.105 173.924 176.000 0.048 0.000 1.194 225 Q CA 0.065 55.862 55.803 -0.010 0.000 1.137 225 Q CB -0.379 28.322 28.738 -0.062 0.000 1.283 225 Q HN 0.323 nan 8.270 nan 0.000 0.295 226 P HA -0.115 nan 4.420 nan 0.000 0.218 226 P C 0.010 177.246 177.300 -0.106 0.000 1.149 226 P CA 1.509 64.552 63.100 -0.096 0.000 0.817 226 P CB 0.177 31.727 31.700 -0.249 0.000 0.785 227 V N -5.081 114.793 119.914 -0.066 0.000 3.158 227 V HA 0.540 4.660 4.120 -0.000 0.000 0.315 227 V C 0.167 176.281 176.094 0.034 0.000 1.148 227 V CA -1.582 60.704 62.300 -0.022 0.000 1.042 227 V CB 1.290 33.073 31.823 -0.067 0.000 1.101 227 V HN -0.303 nan 8.190 nan 0.000 0.448 228 R N 0.748 121.310 120.500 0.104 0.000 2.697 228 R HA 0.220 4.559 4.340 -0.000 0.000 0.265 228 R C 1.573 177.851 176.300 -0.035 0.000 1.009 228 R CA 0.584 56.707 56.100 0.038 0.000 1.099 228 R CB -0.087 30.208 30.300 -0.008 0.000 0.965 228 R HN 1.094 nan 8.270 nan 0.000 0.428 229 A N 2.669 125.531 122.820 0.070 0.000 1.927 229 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 229 A C 1.769 179.503 177.584 0.249 0.000 1.185 229 A CA 2.287 54.430 52.037 0.176 0.000 0.639 229 A CB -0.917 18.291 19.000 0.346 0.000 0.820 229 A HN 0.942 nan 8.150 nan 0.000 0.451 230 H N -2.840 116.332 119.070 0.170 0.000 2.559 230 H HA 0.037 4.593 4.556 -0.000 0.000 0.273 230 H C 0.684 176.119 175.328 0.177 0.000 1.000 230 H CA 0.977 57.110 56.048 0.142 0.000 1.195 230 H CB -0.540 29.200 29.762 -0.037 0.000 1.368 230 H HN 0.537 nan 8.280 nan 0.000 0.592 231 H N 0.815 119.769 119.070 -0.192 0.000 2.983 231 H HA 0.013 4.569 4.556 -0.000 0.000 0.222 231 H C 0.250 175.640 175.328 0.105 0.000 1.828 231 H CA -0.316 55.684 56.048 -0.081 0.000 1.309 231 H CB -0.573 29.064 29.762 -0.209 0.000 1.644 231 H HN 0.388 nan 8.280 nan 0.000 0.561 232 F N 0.926 120.921 119.950 0.075 0.000 2.134 232 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 232 F C 2.201 178.025 175.800 0.041 0.000 1.097 232 F CA 1.171 59.203 58.000 0.053 0.000 1.264 232 F CB 0.049 39.083 39.000 0.056 0.000 1.001 232 F HN 0.386 nan 8.300 nan 0.000 0.479 233 E N -0.370 119.978 120.200 0.246 0.000 2.051 233 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 233 E C 2.125 178.760 176.600 0.058 0.000 0.991 233 E CA 1.249 57.727 56.400 0.130 0.000 0.799 233 E CB -0.490 29.283 29.700 0.122 0.000 0.748 233 E HN 0.213 nan 8.360 nan 0.000 0.449 234 L N 0.720 121.970 121.223 0.045 0.000 2.046 234 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 234 L C 2.087 178.923 176.870 -0.056 0.000 1.077 234 L CA 1.642 56.453 54.840 -0.048 0.000 0.747 234 L CB -0.317 41.640 42.059 -0.170 0.000 0.896 234 L HN 0.152 nan 8.230 nan 0.000 0.432 235 M N -0.713 118.860 119.600 -0.045 0.000 2.117 235 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 235 M C 2.371 178.625 176.300 -0.077 0.000 1.065 235 M CA 1.792 57.040 55.300 -0.086 0.000 1.114 235 M CB -1.420 31.090 32.600 -0.151 0.000 1.361 235 M HN 0.444 nan 8.290 nan 0.000 0.408 236 A N -0.008 122.780 122.820 -0.054 0.000 1.933 236 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 236 A C 2.296 179.858 177.584 -0.037 0.000 1.175 236 A CA 1.476 53.487 52.037 -0.043 0.000 0.628 236 A CB -0.567 18.424 19.000 -0.016 0.000 0.814 236 A HN 0.456 nan 8.150 nan 0.000 0.444 237 R N -0.629 119.851 120.500 -0.033 0.000 2.075 237 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 237 R C 2.059 178.333 176.300 -0.044 0.000 1.126 237 R CA 1.356 57.435 56.100 -0.035 0.000 0.963 237 R CB -0.499 29.780 30.300 -0.036 0.000 0.858 237 R HN 0.501 nan 8.270 nan 0.000 0.435 238 L N 0.243 121.433 121.223 -0.056 0.000 2.079 238 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 238 L C 2.782 179.626 176.870 -0.043 0.000 1.081 238 L CA 1.297 56.103 54.840 -0.057 0.000 0.752 238 L CB -0.445 41.570 42.059 -0.073 0.000 0.896 238 L HN 0.211 nan 8.230 nan 0.000 0.433 239 R N 0.451 120.924 120.500 -0.045 0.000 2.105 239 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 239 R C 2.043 178.327 176.300 -0.027 0.000 1.135 239 R CA 1.501 57.579 56.100 -0.037 0.000 0.967 239 R CB -0.377 29.896 30.300 -0.046 0.000 0.861 239 R HN 0.388 nan 8.270 nan 0.000 0.442 240 G N 0.070 108.854 108.800 -0.028 0.000 2.744 240 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.211 240 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.211 240 G C 1.275 176.162 174.900 -0.020 0.000 1.143 240 G CA -0.092 44.995 45.100 -0.022 0.000 0.788 240 G HN 0.219 nan 8.290 nan 0.000 0.534 241 L N 0.450 121.659 121.223 -0.023 0.000 2.341 241 L HA 0.186 4.526 4.340 -0.000 0.000 0.214 241 L C 1.621 178.481 176.870 -0.016 0.000 1.115 241 L CA 1.057 55.884 54.840 -0.022 0.000 0.820 241 L CB -0.255 41.787 42.059 -0.029 0.000 0.944 241 L HN 0.367 nan 8.230 nan 0.000 0.452 242 T N -6.134 108.413 114.554 -0.011 0.000 2.787 242 T HA 0.240 4.590 4.350 -0.000 0.000 0.297 242 T C -0.285 174.413 174.700 -0.003 0.000 1.221 242 T CA -0.737 61.359 62.100 -0.006 0.000 1.006 242 T CB 2.006 70.875 68.868 0.001 0.000 1.328 242 T HN -0.168 nan 8.240 nan 0.000 0.509 243 D N 0.465 120.864 120.400 -0.000 0.000 2.368 243 D HA 0.253 4.893 4.640 -0.000 0.000 0.218 243 D C 0.289 176.595 176.300 0.011 0.000 1.112 243 D CA 0.103 54.105 54.000 0.002 0.000 0.834 243 D CB 0.476 41.276 40.800 -0.001 0.000 0.953 243 D HN 0.336 nan 8.370 nan 0.000 0.505 244 V N 2.573 122.498 119.914 0.018 0.000 2.530 244 V HA 0.158 4.278 4.120 -0.000 0.000 0.282 244 V C -1.999 174.119 176.094 0.041 0.000 1.048 244 V CA -1.477 60.843 62.300 0.033 0.000 0.997 244 V CB 1.237 33.086 31.823 0.042 0.000 0.987 244 V HN -0.090 nan 8.190 nan 0.000 0.477 245 P HA 0.106 nan 4.420 nan 0.000 0.264 245 P C -0.807 176.524 177.300 0.052 0.000 1.193 245 P CA -0.148 62.981 63.100 0.048 0.000 0.763 245 P CB 0.391 32.135 31.700 0.073 0.000 0.810 246 L N 5.127 126.348 121.223 -0.004 0.000 2.280 246 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 246 L C -1.119 175.694 176.870 -0.095 0.000 1.023 246 L CA -0.160 54.667 54.840 -0.021 0.000 0.819 246 L CB 0.382 42.422 42.059 -0.031 0.000 1.212 246 L HN 0.216 nan 8.230 nan 0.000 0.420 247 L N 5.017 126.152 121.223 -0.146 0.000 2.309 247 L HA 0.719 5.059 4.340 -0.000 0.000 0.282 247 L C 0.238 177.001 176.870 -0.178 0.000 1.036 247 L CA -0.799 53.892 54.840 -0.248 0.000 0.806 247 L CB 1.679 43.420 42.059 -0.530 0.000 1.220 247 L HN 0.766 nan 8.230 nan 0.000 0.429 248 A N 1.560 124.278 122.820 -0.169 0.000 2.309 248 A HA 0.380 4.700 4.320 -0.000 0.000 0.298 248 A C -0.168 177.343 177.584 -0.121 0.000 1.165 248 A CA -0.286 51.661 52.037 -0.150 0.000 0.821 248 A CB 1.112 20.011 19.000 -0.169 0.000 1.102 248 A HN 0.830 nan 8.150 nan 0.000 0.500 249 D N 0.631 120.967 120.400 -0.107 0.000 3.054 249 D HA 0.013 4.653 4.640 -0.000 0.000 0.209 249 D C 1.242 177.497 176.300 -0.074 0.000 1.527 249 D CA 0.409 54.348 54.000 -0.101 0.000 1.427 249 D CB -0.215 40.505 40.800 -0.134 0.000 1.059 249 D HN 0.460 nan 8.370 nan 0.000 0.243 250 E N 0.313 120.415 120.200 -0.163 0.000 2.209 250 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 250 E C 1.940 178.710 176.600 0.282 0.000 0.993 250 E CA 0.928 57.268 56.400 -0.100 0.000 0.819 250 E CB -0.055 29.319 29.700 -0.544 0.000 0.745 250 E HN 0.048 nan 8.360 nan 0.000 0.477 251 S N -0.472 115.309 115.700 0.135 0.000 2.481 251 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 251 S C 0.300 175.083 174.600 0.305 0.000 0.996 251 S CA 0.299 58.619 58.200 0.200 0.000 0.942 251 S CB 0.386 63.487 63.200 -0.166 0.000 0.768 251 S HN -0.050 nan 8.310 nan 0.000 0.520 252 V N 1.514 121.566 119.914 0.230 0.000 2.447 252 V HA 0.355 4.474 4.120 -0.000 0.000 0.292 252 V C -0.499 175.734 176.094 0.231 0.000 1.021 252 V CA -0.699 61.746 62.300 0.241 0.000 0.850 252 V CB 1.349 33.238 31.823 0.110 0.000 1.005 252 V HN 0.210 nan 8.190 nan 0.000 0.426 253 Y N 3.420 123.812 120.300 0.155 0.000 2.265 253 Y HA 0.540 5.090 4.550 -0.000 0.000 0.290 253 Y C 1.660 177.614 175.900 0.090 0.000 1.137 253 Y CA 1.230 59.404 58.100 0.123 0.000 1.147 253 Y CB 0.094 38.612 38.460 0.096 0.000 1.104 253 Y HN 0.659 nan 8.280 nan 0.000 0.514 254 G N -1.692 107.267 108.800 0.265 0.000 3.175 254 G HA2 0.335 4.295 3.960 -0.000 0.000 0.255 254 G HA3 0.335 4.295 3.960 -0.000 0.000 0.255 254 G C -2.139 172.836 174.900 0.125 0.000 1.352 254 G CA -1.165 44.032 45.100 0.160 0.000 1.037 254 G HN -0.175 nan 8.290 nan 0.000 0.556 255 P HA -0.078 nan 4.420 nan 0.000 0.216 255 P C 1.302 178.653 177.300 0.084 0.000 1.150 255 P CA 1.358 64.508 63.100 0.084 0.000 0.843 255 P CB 0.285 32.026 31.700 0.068 0.000 0.787 256 E N -0.515 119.733 120.200 0.079 0.000 2.031 256 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 256 E C 1.770 178.426 176.600 0.093 0.000 0.994 256 E CA 1.360 57.800 56.400 0.068 0.000 0.800 256 E CB -0.979 28.749 29.700 0.047 0.000 0.752 256 E HN 0.284 nan 8.360 nan 0.000 0.447 257 D N -0.254 120.226 120.400 0.133 0.000 2.178 257 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 257 D C 1.834 178.250 176.300 0.194 0.000 0.974 257 D CA 0.806 54.925 54.000 0.199 0.000 0.841 257 D CB -0.174 40.791 40.800 0.276 0.000 0.953 257 D HN 0.096 nan 8.370 nan 0.000 0.478 258 M N 0.441 120.123 119.600 0.136 0.000 2.117 258 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 258 M C 1.968 178.303 176.300 0.059 0.000 1.065 258 M CA 1.031 56.385 55.300 0.089 0.000 1.114 258 M CB -0.332 32.314 32.600 0.076 0.000 1.361 258 M HN -0.178 nan 8.290 nan 0.000 0.408 259 V N 0.102 120.061 119.914 0.075 0.000 2.332 259 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 259 V C 2.575 178.717 176.094 0.079 0.000 1.055 259 V CA 2.283 64.620 62.300 0.061 0.000 1.038 259 V CB -0.863 31.003 31.823 0.071 0.000 0.651 259 V HN 0.538 nan 8.190 nan 0.000 0.450 260 R N 0.085 120.662 120.500 0.128 0.000 2.066 260 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 260 R C 2.318 178.812 176.300 0.324 0.000 1.131 260 R CA 1.602 57.820 56.100 0.195 0.000 0.955 260 R CB -0.435 29.947 30.300 0.137 0.000 0.851 260 R HN 0.470 nan 8.270 nan 0.000 0.432 261 A N 0.793 123.819 122.820 0.343 0.000 1.933 261 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 261 A C 2.329 179.928 177.584 0.024 0.000 1.175 261 A CA 1.736 53.893 52.037 0.200 0.000 0.628 261 A CB -0.673 18.342 19.000 0.025 0.000 0.814 261 A HN 0.550 nan 8.150 nan 0.000 0.444 262 A N -1.130 121.647 122.820 -0.071 0.000 1.898 262 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 262 A C 2.024 179.534 177.584 -0.124 0.000 1.181 262 A CA 1.986 53.862 52.037 -0.268 0.000 0.620 262 A CB -0.823 17.660 19.000 -0.861 0.000 0.819 262 A HN 0.736 nan 8.150 nan 0.000 0.442 263 H N 0.254 119.269 119.070 -0.092 0.000 2.321 263 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 263 H C 1.616 176.968 175.328 0.039 0.000 1.087 263 H CA 2.060 58.111 56.048 0.004 0.000 1.319 263 H CB -0.107 29.677 29.762 0.037 0.000 1.379 263 H HN 0.576 nan 8.280 nan 0.000 0.501 264 E N -0.514 119.685 120.200 -0.002 0.000 2.502 264 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 264 E C 0.794 177.375 176.600 -0.033 0.000 1.062 264 E CA 0.284 56.668 56.400 -0.026 0.000 0.867 264 E CB 0.188 30.009 29.700 0.202 0.000 0.888 264 E HN 0.679 nan 8.360 nan 0.000 0.510 265 G N 2.707 111.478 108.800 -0.049 0.000 2.356 265 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.296 265 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.296 265 G C 0.712 175.574 174.900 -0.065 0.000 1.022 265 G CA 0.685 45.752 45.100 -0.055 0.000 0.961 265 G HN 0.544 nan 8.290 nan 0.000 0.510 266 I N -2.559 117.952 120.570 -0.099 0.000 3.428 266 I HA 0.358 4.528 4.170 -0.000 0.000 0.286 266 I C 1.182 177.207 176.117 -0.154 0.000 1.287 266 I CA 0.284 61.489 61.300 -0.158 0.000 1.396 266 I CB -0.511 37.280 38.000 -0.349 0.000 1.062 266 I HN 0.640 nan 8.210 nan 0.000 0.471 267 C N -1.505 117.721 119.300 -0.123 0.000 3.320 267 C HA 0.501 4.961 4.460 -0.000 0.000 0.335 267 C C 0.257 175.201 174.990 -0.076 0.000 1.430 267 C CA -0.607 58.346 59.018 -0.108 0.000 1.271 267 C CB 1.719 29.377 27.740 -0.137 0.000 1.609 267 C HN 0.292 nan 8.230 nan 0.000 0.457 268 D N 0.087 120.444 120.400 -0.073 0.000 2.417 268 D HA 0.401 5.041 4.640 -0.000 0.000 0.207 268 D C 0.711 176.973 176.300 -0.063 0.000 1.075 268 D CA 1.194 55.164 54.000 -0.050 0.000 0.851 268 D CB 1.382 42.161 40.800 -0.036 0.000 0.976 268 D HN 1.086 nan 8.370 nan 0.000 0.505 269 G N 0.039 108.777 108.800 -0.103 0.000 2.495 269 G HA2 0.436 4.396 3.960 -0.000 0.000 0.294 269 G HA3 0.436 4.396 3.960 -0.000 0.000 0.294 269 G C -2.074 172.737 174.900 -0.149 0.000 1.397 269 G CA -0.408 44.620 45.100 -0.120 0.000 0.790 269 G HN -0.001 nan 8.290 nan 0.000 0.486 270 V N -0.542 119.293 119.914 -0.131 0.000 2.925 270 V HA 0.809 4.929 4.120 -0.000 0.000 0.311 270 V C -0.407 175.632 176.094 -0.091 0.000 1.104 270 V CA -0.360 61.873 62.300 -0.112 0.000 0.954 270 V CB 2.119 33.909 31.823 -0.055 0.000 1.022 270 V HN 1.315 nan 8.190 nan 0.000 0.427 271 S N 6.543 122.197 115.700 -0.077 0.000 2.430 271 S HA 0.592 5.062 4.470 -0.000 0.000 0.289 271 S C -0.477 174.103 174.600 -0.034 0.000 1.143 271 S CA -0.561 57.637 58.200 -0.003 0.000 1.067 271 S CB -0.086 63.129 63.200 0.025 0.000 0.964 271 S HN 0.553 nan 8.310 nan 0.000 0.485 272 I N 5.402 125.945 120.570 -0.045 0.000 2.331 272 I HA 0.413 4.583 4.170 -0.000 0.000 0.292 272 I C -0.016 176.077 176.117 -0.039 0.000 0.998 272 I CA -0.450 60.832 61.300 -0.031 0.000 1.267 272 I CB 1.260 39.253 38.000 -0.011 0.000 1.386 272 I HN 0.493 nan 8.210 nan 0.000 0.476 273 K N 6.313 126.703 120.400 -0.016 0.000 2.482 273 K HA 0.371 4.691 4.320 -0.000 0.000 0.251 273 K C 0.858 177.476 176.600 0.030 0.000 0.936 273 K CA -0.612 55.679 56.287 0.007 0.000 0.791 273 K CB 2.773 35.264 32.500 -0.016 0.000 1.213 273 K HN 0.612 nan 8.250 nan 0.000 0.428 274 I N -0.783 119.821 120.570 0.056 0.000 2.454 274 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 274 I C 1.272 177.421 176.117 0.054 0.000 1.156 274 I CA 1.069 62.403 61.300 0.056 0.000 1.433 274 I CB -0.142 37.892 38.000 0.056 0.000 1.082 274 I HN 0.520 nan 8.210 nan 0.000 0.432 275 M N 1.422 121.051 119.600 0.048 0.000 2.374 275 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 275 M C 1.976 178.312 176.300 0.060 0.000 1.067 275 M CA 1.548 56.882 55.300 0.057 0.000 1.103 275 M CB -0.955 31.682 32.600 0.062 0.000 1.402 275 M HN 0.394 nan 8.290 nan 0.000 0.444 276 K N -0.190 120.217 120.400 0.012 0.000 2.168 276 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 276 K C 2.083 178.784 176.600 0.168 0.000 1.049 276 K CA 1.278 57.548 56.287 -0.027 0.000 0.974 276 K CB -0.027 32.260 32.500 -0.355 0.000 0.792 276 K HN 0.329 nan 8.250 nan 0.000 0.463 277 S N 0.176 115.936 115.700 0.101 0.000 2.447 277 S HA -0.019 4.451 4.470 -0.000 0.000 0.233 277 S C 1.498 176.162 174.600 0.106 0.000 1.006 277 S CA 0.767 59.035 58.200 0.115 0.000 0.957 277 S CB -0.318 62.931 63.200 0.081 0.000 0.773 277 S HN 0.441 nan 8.310 nan 0.000 0.507 278 G N 0.160 109.019 108.800 0.098 0.000 2.176 278 G HA2 0.240 4.200 3.960 -0.000 0.000 0.252 278 G HA3 0.240 4.200 3.960 -0.000 0.000 0.252 278 G C 0.441 175.376 174.900 0.057 0.000 1.024 278 G CA -0.077 45.069 45.100 0.077 0.000 0.755 278 G HN 1.764 nan 8.290 nan 0.000 0.507 279 G N -2.485 106.349 108.800 0.057 0.000 2.358 279 G HA2 0.476 4.436 3.960 -0.000 0.000 0.303 279 G HA3 0.476 4.436 3.960 -0.000 0.000 0.303 279 G C 0.216 175.149 174.900 0.054 0.000 1.537 279 G CA -0.055 45.075 45.100 0.049 0.000 0.928 279 G HN 0.766 nan 8.290 nan 0.000 0.656 280 L N 0.510 121.765 121.223 0.054 0.000 2.109 280 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 280 L C 3.092 180.001 176.870 0.065 0.000 1.086 280 L CA 2.613 57.492 54.840 0.065 0.000 0.760 280 L CB -0.806 41.296 42.059 0.072 0.000 0.910 280 L HN 0.689 nan 8.230 nan 0.000 0.437 281 T N -0.897 113.691 114.554 0.056 0.000 2.708 281 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 281 T C 2.090 176.822 174.700 0.054 0.000 1.037 281 T CA 1.204 63.336 62.100 0.054 0.000 1.146 281 T CB -0.152 68.742 68.868 0.044 0.000 0.865 281 T HN 0.220 nan 8.240 nan 0.000 0.435 282 R N 0.808 121.341 120.500 0.054 0.000 2.127 282 R HA 0.014 4.354 4.340 -0.000 0.000 0.238 282 R C 2.701 179.039 176.300 0.063 0.000 1.134 282 R CA 1.146 57.281 56.100 0.058 0.000 0.975 282 R CB -0.363 29.974 30.300 0.061 0.000 0.865 282 R HN 0.359 nan 8.270 nan 0.000 0.447 283 A N 0.928 123.786 122.820 0.063 0.000 1.898 283 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 283 A C 1.993 179.611 177.584 0.058 0.000 1.181 283 A CA 1.082 53.155 52.037 0.061 0.000 0.620 283 A CB -0.284 18.754 19.000 0.063 0.000 0.819 283 A HN 0.312 nan 8.150 nan 0.000 0.442 284 Q N -0.804 119.033 119.800 0.061 0.000 2.084 284 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 284 Q C 2.153 178.186 176.000 0.055 0.000 0.978 284 Q CA 1.883 57.721 55.803 0.059 0.000 0.844 284 Q CB -0.442 28.333 28.738 0.062 0.000 0.898 284 Q HN 0.665 nan 8.270 nan 0.000 0.426 285 T N 0.724 115.311 114.554 0.056 0.000 2.746 285 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 285 T C 2.055 176.793 174.700 0.063 0.000 1.039 285 T CA 1.267 63.401 62.100 0.057 0.000 1.142 285 T CB -0.263 68.638 68.868 0.056 0.000 0.866 285 T HN 0.050 nan 8.240 nan 0.000 0.444 286 V N 1.751 121.702 119.914 0.063 0.000 2.287 286 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 286 V C 2.901 179.030 176.094 0.058 0.000 1.053 286 V CA 1.779 64.117 62.300 0.064 0.000 1.027 286 V CB -1.226 30.633 31.823 0.060 0.000 0.646 286 V HN 0.548 nan 8.190 nan 0.000 0.447 287 A N -0.102 122.748 122.820 0.050 0.000 1.933 287 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 287 A C 2.361 179.976 177.584 0.051 0.000 1.175 287 A CA 1.870 53.934 52.037 0.044 0.000 0.628 287 A CB -0.457 18.567 19.000 0.039 0.000 0.814 287 A HN 0.536 nan 8.150 nan 0.000 0.444 288 R N -0.608 119.924 120.500 0.054 0.000 2.090 288 R HA 0.080 4.420 4.340 -0.000 0.000 0.228 288 R C 1.935 178.276 176.300 0.069 0.000 1.110 288 R CA 1.353 57.485 56.100 0.053 0.000 0.973 288 R CB -0.381 29.947 30.300 0.047 0.000 0.869 288 R HN 0.556 nan 8.270 nan 0.000 0.440 289 I N 0.539 121.163 120.570 0.090 0.000 2.252 289 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 289 I C 2.575 178.814 176.117 0.203 0.000 1.102 289 I CA 1.098 62.485 61.300 0.146 0.000 1.385 289 I CB -0.423 37.664 38.000 0.145 0.000 1.064 289 I HN 0.190 nan 8.210 nan 0.000 0.414 290 A N 0.990 123.889 122.820 0.130 0.000 1.883 290 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 290 A C 2.564 180.217 177.584 0.116 0.000 1.186 290 A CA 2.117 54.221 52.037 0.112 0.000 0.624 290 A CB -0.965 18.067 19.000 0.053 0.000 0.822 290 A HN 0.435 nan 8.150 nan 0.000 0.444 291 A N -0.247 122.619 122.820 0.077 0.000 1.908 291 A HA 0.122 4.442 4.320 -0.000 0.000 0.218 291 A C 2.440 180.051 177.584 0.044 0.000 1.181 291 A CA 2.156 54.225 52.037 0.053 0.000 0.627 291 A CB -0.998 18.024 19.000 0.037 0.000 0.818 291 A HN 1.202 nan 8.150 nan 0.000 0.445 292 A N -2.009 120.832 122.820 0.035 0.000 2.121 292 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 292 A C 1.737 179.239 177.584 -0.137 0.000 1.154 292 A CA 1.272 53.280 52.037 -0.049 0.000 0.679 292 A CB -0.657 18.298 19.000 -0.074 0.000 0.795 292 A HN 0.677 nan 8.150 nan 0.000 0.458 293 H N -1.414 117.671 119.070 0.024 0.000 2.594 293 H HA 0.251 4.807 4.556 -0.000 0.000 0.279 293 H C 1.415 176.753 175.328 0.016 0.000 1.042 293 H CA 0.483 56.546 56.048 0.025 0.000 1.177 293 H CB 0.236 30.017 29.762 0.031 0.000 1.524 293 H HN 0.585 nan 8.280 nan 0.000 0.537 294 G N 1.604 110.459 108.800 0.092 0.000 2.198 294 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 294 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 294 G C -0.088 174.845 174.900 0.055 0.000 1.042 294 G CA 0.116 45.251 45.100 0.058 0.000 0.791 294 G HN 0.255 nan 8.290 nan 0.000 0.502 295 L N 0.258 121.519 121.223 0.063 0.000 2.329 295 L HA 0.704 5.044 4.340 -0.000 0.000 0.279 295 L C 1.206 178.086 176.870 0.016 0.000 1.014 295 L CA -1.317 53.541 54.840 0.030 0.000 0.814 295 L CB 1.654 43.730 42.059 0.027 0.000 1.257 295 L HN 0.388 nan 8.230 nan 0.000 0.424 296 M N 1.700 121.296 119.600 -0.007 0.000 2.227 296 M HA 0.791 5.271 4.480 -0.000 0.000 0.316 296 M C -0.471 175.816 176.300 -0.022 0.000 1.144 296 M CA -0.137 55.158 55.300 -0.008 0.000 1.121 296 M CB 1.195 33.789 32.600 -0.011 0.000 1.440 296 M HN 0.602 nan 8.290 nan 0.000 0.473 297 A N 1.311 124.132 122.820 0.002 0.000 2.414 297 A HA 0.739 5.059 4.320 -0.000 0.000 0.306 297 A C -2.052 175.573 177.584 0.068 0.000 1.054 297 A CA -0.541 51.502 52.037 0.010 0.000 0.724 297 A CB 1.393 20.403 19.000 0.017 0.000 1.267 297 A HN 0.870 nan 8.150 nan 0.000 0.418 298 Y N 0.780 121.008 120.300 -0.119 0.000 2.462 298 Y HA 0.590 5.140 4.550 -0.000 0.000 0.346 298 Y C 0.491 176.329 175.900 -0.102 0.000 0.976 298 Y CA -0.711 57.324 58.100 -0.108 0.000 1.044 298 Y CB 2.000 40.351 38.460 -0.180 0.000 1.230 298 Y HN 0.816 nan 8.280 nan 0.000 0.455 299 G N 3.501 111.905 108.800 -0.661 0.000 2.915 299 G HA2 0.435 4.395 3.960 -0.000 0.000 0.298 299 G HA3 0.435 4.395 3.960 -0.000 0.000 0.298 299 G C 0.215 174.483 174.900 -1.054 0.000 0.837 299 G CA 0.072 44.768 45.100 -0.674 0.000 1.752 299 G HN 0.978 nan 8.290 nan 0.000 0.526 300 G N 1.231 109.616 108.800 -0.692 0.000 2.588 300 G HA2 0.564 4.524 3.960 -0.000 0.000 0.281 300 G HA3 0.564 4.524 3.960 -0.000 0.000 0.281 300 G C -0.473 174.271 174.900 -0.261 0.000 1.236 300 G CA -0.200 44.613 45.100 -0.479 0.000 0.969 300 G HN 0.659 nan 8.290 nan 0.000 0.504 301 D N -1.939 118.355 120.400 -0.176 0.000 2.665 301 D HA 0.360 5.000 4.640 -0.000 0.000 0.287 301 D C -0.304 175.897 176.300 -0.164 0.000 1.266 301 D CA -0.634 53.332 54.000 -0.057 0.000 0.830 301 D CB 0.826 41.682 40.800 0.093 0.000 1.356 301 D HN 0.194 nan 8.370 nan 0.000 0.437 302 M N -0.656 118.872 119.600 -0.120 0.000 2.799 302 M HA 0.412 4.892 4.480 -0.000 0.000 0.274 302 M C -0.157 175.973 176.300 -0.283 0.000 1.137 302 M CA -0.625 54.565 55.300 -0.182 0.000 0.897 302 M CB -0.067 32.547 32.600 0.023 0.000 1.567 302 M HN 0.342 nan 8.290 nan 0.000 0.536 303 F N 1.952 121.860 119.950 -0.070 0.000 2.619 303 F HA 0.153 4.680 4.527 -0.000 0.000 0.350 303 F C 0.949 176.773 175.800 0.040 0.000 1.259 303 F CA -0.261 57.706 58.000 -0.056 0.000 1.204 303 F CB -0.473 38.538 39.000 0.019 0.000 1.556 303 F HN 0.344 nan 8.300 nan 0.000 0.650 304 E N 0.903 121.156 120.200 0.088 0.000 2.285 304 E HA 0.887 5.237 4.350 -0.000 0.000 0.254 304 E C -0.756 175.725 176.600 -0.198 0.000 1.011 304 E CA -1.359 55.034 56.400 -0.011 0.000 0.873 304 E CB 1.563 31.239 29.700 -0.041 0.000 1.229 304 E HN 0.288 nan 8.360 nan 0.000 0.422 305 A N -0.112 122.490 122.820 -0.363 0.000 2.373 305 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 305 A C 1.109 178.137 177.584 -0.926 0.000 1.171 305 A CA -0.178 51.549 52.037 -0.516 0.000 0.922 305 A CB 0.477 19.314 19.000 -0.272 0.000 1.400 305 A HN 0.727 nan 8.150 nan 0.000 0.474 306 G N -0.840 107.553 108.800 -0.679 0.000 2.475 306 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.220 306 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.220 306 G C 1.256 175.889 174.900 -0.445 0.000 1.125 306 G CA 1.466 46.198 45.100 -0.614 0.000 0.755 306 G HN 0.649 nan 8.290 nan 0.000 0.565 307 L N 1.382 122.417 121.223 -0.314 0.000 1.994 307 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 307 L C 3.025 179.781 176.870 -0.190 0.000 1.071 307 L CA 2.287 57.017 54.840 -0.183 0.000 0.745 307 L CB -0.908 41.075 42.059 -0.127 0.000 0.892 307 L HN 0.218 nan 8.230 nan 0.000 0.431 308 A N -1.739 120.934 122.820 -0.246 0.000 1.969 308 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 308 A C 2.128 179.514 177.584 -0.330 0.000 1.169 308 A CA 1.608 53.523 52.037 -0.204 0.000 0.635 308 A CB -1.060 17.852 19.000 -0.147 0.000 0.810 308 A HN 0.741 nan 8.150 nan 0.000 0.445 309 H N -0.602 118.074 119.070 -0.657 0.000 2.387 309 H HA -0.027 4.529 4.556 -0.000 0.000 0.299 309 H C 1.922 176.734 175.328 -0.860 0.000 1.090 309 H CA 1.089 56.427 56.048 -1.183 0.000 1.332 309 H CB -0.072 28.712 29.762 -1.630 0.000 1.386 309 H HN 0.379 nan 8.280 nan 0.000 0.516 310 L N 0.200 121.254 121.223 -0.282 0.000 2.027 310 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 310 L C 2.937 179.873 176.870 0.110 0.000 1.074 310 L CA 0.751 55.624 54.840 0.055 0.000 0.745 310 L CB -0.425 41.721 42.059 0.146 0.000 0.898 310 L HN 0.301 nan 8.230 nan 0.000 0.433 311 A N 0.414 123.241 122.820 0.011 0.000 1.877 311 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 311 A C 2.396 179.999 177.584 0.031 0.000 1.186 311 A CA 1.839 53.910 52.037 0.056 0.000 0.620 311 A CB -1.337 17.667 19.000 0.006 0.000 0.822 311 A HN 0.444 nan 8.150 nan 0.000 0.443 312 G N -1.218 107.484 108.800 -0.162 0.000 2.418 312 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 312 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 312 G C 1.564 176.511 174.900 0.078 0.000 1.158 312 G CA 1.662 46.700 45.100 -0.104 0.000 0.771 312 G HN 0.437 nan 8.290 nan 0.000 0.545 313 T N 0.126 114.652 114.554 -0.047 0.000 2.746 313 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 313 T C 2.079 176.838 174.700 0.098 0.000 1.039 313 T CA 1.150 63.342 62.100 0.153 0.000 1.142 313 T CB -0.333 68.618 68.868 0.138 0.000 0.866 313 T HN 0.358 nan 8.240 nan 0.000 0.444 314 H N 0.183 119.353 119.070 0.166 0.000 2.423 314 H HA 0.089 4.645 4.556 -0.000 0.000 0.297 314 H C 2.340 177.781 175.328 0.188 0.000 1.075 314 H CA 1.011 57.194 56.048 0.224 0.000 1.342 314 H CB -0.236 29.655 29.762 0.214 0.000 1.395 314 H HN 0.233 nan 8.280 nan 0.000 0.530 315 M N 0.873 120.624 119.600 0.251 0.000 2.077 315 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 315 M C 2.179 178.567 176.300 0.146 0.000 1.070 315 M CA 1.382 56.791 55.300 0.180 0.000 1.125 315 M CB -0.596 32.091 32.600 0.145 0.000 1.339 315 M HN 0.154 nan 8.290 nan 0.000 0.409 316 I N 0.640 121.297 120.570 0.146 0.000 2.286 316 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 316 I C 2.541 178.692 176.117 0.057 0.000 1.115 316 I CA 1.098 62.458 61.300 0.099 0.000 1.392 316 I CB -0.707 37.363 38.000 0.117 0.000 1.065 316 I HN 0.329 nan 8.210 nan 0.000 0.418 317 A N 0.644 123.493 122.820 0.048 0.000 2.024 317 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 317 A C 2.200 179.757 177.584 -0.044 0.000 1.164 317 A CA 1.794 53.802 52.037 -0.048 0.000 0.643 317 A CB -0.503 18.416 19.000 -0.136 0.000 0.806 317 A HN 0.443 nan 8.150 nan 0.000 0.451 318 A N -1.206 121.650 122.820 0.059 0.000 2.423 318 A HA 0.432 4.752 4.320 -0.000 0.000 0.246 318 A C 0.493 178.115 177.584 0.063 0.000 1.278 318 A CA 0.465 52.550 52.037 0.080 0.000 0.903 318 A CB -0.079 19.026 19.000 0.175 0.000 0.997 318 A HN 0.177 nan 8.150 nan 0.000 0.510 319 T N 1.821 116.402 114.554 0.045 0.000 3.068 319 T HA 0.289 4.639 4.350 -0.000 0.000 0.364 319 T C -2.126 172.589 174.700 0.024 0.000 1.161 319 T CA -0.909 61.216 62.100 0.041 0.000 1.155 319 T CB 1.660 70.560 68.868 0.052 0.000 1.060 319 T HN 0.139 nan 8.240 nan 0.000 0.513 320 P HA -0.103 nan 4.420 nan 0.000 0.221 320 P C 0.927 178.237 177.300 0.016 0.000 1.145 320 P CA 1.070 64.176 63.100 0.010 0.000 0.795 320 P CB 0.513 32.218 31.700 0.007 0.000 0.775 321 E N -0.329 119.885 120.200 0.023 0.000 2.265 321 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 321 E C 0.833 177.449 176.600 0.026 0.000 0.996 321 E CA 0.607 57.023 56.400 0.026 0.000 0.832 321 E CB -0.461 29.257 29.700 0.031 0.000 0.756 321 E HN 0.277 nan 8.360 nan 0.000 0.491 322 I N 1.696 122.281 120.570 0.024 0.000 2.294 322 I HA 0.042 4.212 4.170 -0.000 0.000 0.295 322 I C 0.984 177.118 176.117 0.029 0.000 1.098 322 I CA 0.344 61.658 61.300 0.024 0.000 1.277 322 I CB 0.141 38.146 38.000 0.009 0.000 1.434 322 I HN 0.009 nan 8.210 nan 0.000 0.498 323 T N 2.391 116.973 114.554 0.046 0.000 3.003 323 T HA 0.264 4.614 4.350 -0.000 0.000 0.261 323 T C 1.074 175.822 174.700 0.080 0.000 1.003 323 T CA 0.032 62.161 62.100 0.048 0.000 0.917 323 T CB 0.064 68.956 68.868 0.039 0.000 1.084 323 T HN 0.403 nan 8.240 nan 0.000 0.522 324 L N 1.716 123.022 121.223 0.137 0.000 2.629 324 L HA 0.481 4.821 4.340 -0.000 0.000 0.230 324 L C 1.484 178.533 176.870 0.299 0.000 1.151 324 L CA 0.151 55.127 54.840 0.227 0.000 0.924 324 L CB -0.793 41.449 42.059 0.304 0.000 1.137 324 L HN 0.672 nan 8.230 nan 0.000 0.457 325 G N -0.020 108.871 108.800 0.152 0.000 2.698 325 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.225 325 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.225 325 G C -0.553 174.273 174.900 -0.123 0.000 1.345 325 G CA -0.596 44.544 45.100 0.067 0.000 0.871 325 G HN 0.377 nan 8.290 nan 0.000 0.540 326 C N -1.908 117.234 119.300 -0.263 0.000 3.080 326 C HA 0.922 5.382 4.460 -0.000 0.000 0.307 326 C C 0.289 174.946 174.990 -0.556 0.000 1.311 326 C CA 0.077 58.669 59.018 -0.710 0.000 1.533 326 C CB 1.602 28.750 27.740 -0.987 0.000 1.970 326 C HN 1.371 nan 8.230 nan 0.000 0.467 327 E N 0.191 119.946 120.200 -0.742 0.000 2.939 327 E HA 0.273 4.623 4.350 -0.000 0.000 0.215 327 E C -1.221 175.220 176.600 -0.264 0.000 1.025 327 E CA -0.363 55.880 56.400 -0.261 0.000 1.259 327 E CB -0.111 29.560 29.700 -0.048 0.000 1.228 327 E HN 0.542 nan 8.360 nan 0.000 0.443 328 F N 2.240 122.046 119.950 -0.239 0.000 2.626 328 F HA 0.145 4.672 4.527 -0.000 0.000 0.353 328 F C 0.506 176.056 175.800 -0.416 0.000 1.230 328 F CA -1.185 56.377 58.000 -0.730 0.000 1.298 328 F CB -0.702 37.877 39.000 -0.701 0.000 1.670 328 F HN 0.308 nan 8.300 nan 0.000 0.633 329 Y N -1.687 118.594 120.300 -0.031 0.000 2.442 329 Y HA 0.222 4.772 4.550 -0.000 0.000 0.250 329 Y C 1.661 177.763 175.900 0.335 0.000 1.113 329 Y CA -0.150 58.076 58.100 0.210 0.000 1.273 329 Y CB -0.535 38.033 38.460 0.181 0.000 1.138 329 Y HN 0.137 nan 8.280 nan 0.000 0.522 330 Q N 2.138 121.788 119.800 -0.249 0.000 2.014 330 Q HA -0.147 4.193 4.340 -0.000 0.000 0.207 330 Q C 2.626 178.808 176.000 0.304 0.000 0.993 330 Q CA 2.751 58.619 55.803 0.108 0.000 0.850 330 Q CB -0.789 27.998 28.738 0.081 0.000 0.916 330 Q HN 0.633 nan 8.270 nan 0.000 0.417 331 A N -0.183 122.815 122.820 0.296 0.000 1.948 331 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 331 A C 2.229 179.892 177.584 0.132 0.000 1.177 331 A CA 2.138 54.249 52.037 0.125 0.000 0.636 331 A CB -0.614 18.427 19.000 0.069 0.000 0.815 331 A HN 0.336 nan 8.150 nan 0.000 0.449 332 S N -2.389 113.403 115.700 0.154 0.000 2.404 332 S HA 0.070 4.540 4.470 -0.000 0.000 0.223 332 S C 1.206 175.651 174.600 -0.259 0.000 1.040 332 S CA 1.039 59.168 58.200 -0.118 0.000 0.957 332 S CB -0.271 62.755 63.200 -0.289 0.000 0.826 332 S HN 0.698 nan 8.310 nan 0.000 0.491 333 Y N -1.272 119.204 120.300 0.293 0.000 2.500 333 Y HA 0.445 4.995 4.550 -0.000 0.000 0.246 333 Y C 1.123 177.247 175.900 0.372 0.000 1.146 333 Y CA -0.808 57.464 58.100 0.287 0.000 1.230 333 Y CB 0.238 38.862 38.460 0.274 0.000 1.214 333 Y HN 0.262 nan 8.280 nan 0.000 0.526 334 F N -0.360 119.782 119.950 0.320 0.000 2.537 334 F HA 0.393 4.920 4.527 -0.000 0.000 0.275 334 F C 0.339 176.219 175.800 0.134 0.000 0.947 334 F CA -0.183 57.972 58.000 0.257 0.000 1.238 334 F CB 0.006 39.202 39.000 0.327 0.000 1.071 334 F HN -0.332 nan 8.300 nan 0.000 0.749 335 L N 1.641 122.884 121.223 0.034 0.000 2.439 335 L HA 0.110 4.450 4.340 -0.000 0.000 0.269 335 L C 1.188 177.985 176.870 -0.121 0.000 1.179 335 L CA 0.017 54.769 54.840 -0.147 0.000 0.828 335 L CB 0.409 42.431 42.059 -0.061 0.000 1.106 335 L HN 0.187 nan 8.230 nan 0.000 0.467 336 N N 1.400 120.005 118.700 -0.159 0.000 2.106 336 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 336 N C 0.131 175.608 175.510 -0.054 0.000 1.029 336 N CA 1.262 54.259 53.050 -0.088 0.000 0.848 336 N CB 0.391 38.832 38.487 -0.076 0.000 1.007 336 N HN 0.681 nan 8.380 nan 0.000 0.423 337 E N -0.490 119.656 120.200 -0.089 0.000 2.275 337 E HA 0.175 4.525 4.350 -0.000 0.000 0.270 337 E C -1.742 174.784 176.600 -0.124 0.000 0.882 337 E CA -0.764 55.601 56.400 -0.058 0.000 0.758 337 E CB 1.250 30.967 29.700 0.028 0.000 1.195 337 E HN 0.141 nan 8.360 nan 0.000 0.419 338 D N 2.137 122.489 120.400 -0.080 0.000 2.451 338 D HA 0.197 4.836 4.640 -0.000 0.000 0.259 338 D C 1.039 177.276 176.300 -0.106 0.000 1.201 338 D CA -0.250 53.685 54.000 -0.107 0.000 1.028 338 D CB 0.915 41.671 40.800 -0.072 0.000 1.095 338 D HN 0.543 nan 8.370 nan 0.000 0.539 339 I N -1.420 119.070 120.570 -0.133 0.000 3.956 339 I HA 0.276 4.446 4.170 -0.000 0.000 0.333 339 I C -0.069 175.959 176.117 -0.149 0.000 1.302 339 I CA -0.308 60.913 61.300 -0.132 0.000 1.122 339 I CB -0.054 37.846 38.000 -0.167 0.000 1.013 339 I HN 0.004 nan 8.210 nan 0.000 0.405 340 L N 1.718 122.868 121.223 -0.120 0.000 2.395 340 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 340 L C 1.353 178.178 176.870 -0.075 0.000 1.133 340 L CA -0.098 54.677 54.840 -0.108 0.000 0.812 340 L CB 0.995 43.022 42.059 -0.053 0.000 1.125 340 L HN 0.150 nan 8.230 nan 0.000 0.452 341 E N 0.433 120.586 120.200 -0.079 0.000 2.150 341 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 341 E C 0.247 176.834 176.600 -0.021 0.000 0.985 341 E CA 1.193 57.562 56.400 -0.051 0.000 0.814 341 E CB 0.091 29.761 29.700 -0.050 0.000 0.752 341 E HN 0.759 nan 8.360 nan 0.000 0.466 342 T N 0.231 114.781 114.554 -0.008 0.000 2.829 342 T HA 0.363 4.713 4.350 -0.000 0.000 0.280 342 T C -2.610 172.109 174.700 0.031 0.000 0.999 342 T CA -2.329 59.778 62.100 0.011 0.000 0.983 342 T CB 2.002 70.882 68.868 0.019 0.000 0.968 342 T HN -0.205 nan 8.240 nan 0.000 0.446 343 P HA 0.095 nan 4.420 nan 0.000 0.267 343 P C -0.509 176.862 177.300 0.119 0.000 1.200 343 P CA -0.484 62.655 63.100 0.065 0.000 0.772 343 P CB 0.347 32.067 31.700 0.034 0.000 0.855 344 F N 3.901 123.853 119.950 0.003 0.000 2.519 344 F HA 0.118 4.645 4.527 -0.000 0.000 0.375 344 F C 0.951 176.769 175.800 0.030 0.000 1.084 344 F CA -0.425 57.592 58.000 0.029 0.000 1.147 344 F CB 0.067 39.112 39.000 0.075 0.000 1.088 344 F HN 0.178 nan 8.300 nan 0.000 0.555 345 R N 5.177 125.449 120.500 -0.380 0.000 2.404 345 R HA 0.372 4.712 4.340 -0.000 0.000 0.315 345 R C -1.165 174.858 176.300 -0.462 0.000 1.032 345 R CA -0.140 55.756 56.100 -0.341 0.000 0.992 345 R CB 0.449 30.623 30.300 -0.210 0.000 0.959 345 R HN 0.436 nan 8.270 nan 0.000 0.428 346 V N 3.756 123.519 119.914 -0.252 0.000 2.569 346 V HA 0.227 4.347 4.120 -0.000 0.000 0.301 346 V C -0.559 175.494 176.094 -0.069 0.000 1.044 346 V CA -0.803 61.400 62.300 -0.162 0.000 0.874 346 V CB 1.971 33.747 31.823 -0.078 0.000 1.002 346 V HN 0.760 nan 8.190 nan 0.000 0.424 347 E N 3.293 123.463 120.200 -0.049 0.000 2.224 347 E HA 0.678 5.028 4.350 -0.000 0.000 0.265 347 E C 0.338 176.941 176.600 0.005 0.000 0.878 347 E CA -0.487 55.903 56.400 -0.017 0.000 0.759 347 E CB 2.096 31.781 29.700 -0.026 0.000 1.164 347 E HN 1.086 nan 8.360 nan 0.000 0.414 348 A N 2.802 125.637 122.820 0.025 0.000 2.822 348 A HA -0.192 4.128 4.320 -0.000 0.000 0.287 348 A C 1.291 178.904 177.584 0.047 0.000 1.479 348 A CA 1.169 53.227 52.037 0.035 0.000 0.779 348 A CB -2.279 16.734 19.000 0.021 0.000 1.022 348 A HN 1.517 nan 8.150 nan 0.000 0.532 349 G N -2.668 106.171 108.800 0.066 0.000 2.148 349 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.254 349 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.254 349 G C -0.238 174.694 174.900 0.053 0.000 0.981 349 G CA 0.813 45.962 45.100 0.080 0.000 0.670 349 G HN 1.588 nan 8.290 nan 0.000 0.528 350 Q N 0.071 119.886 119.800 0.025 0.000 2.330 350 Q HA 0.571 4.911 4.340 -0.000 0.000 0.269 350 Q C 0.135 176.116 176.000 -0.031 0.000 1.022 350 Q CA -0.811 54.994 55.803 0.003 0.000 0.796 350 Q CB 2.477 31.211 28.738 -0.006 0.000 1.271 350 Q HN 0.209 nan 8.270 nan 0.000 0.450 351 V N 3.422 123.320 119.914 -0.027 0.000 2.655 351 V HA 0.055 4.175 4.120 -0.000 0.000 0.300 351 V C 0.490 176.511 176.094 -0.122 0.000 1.044 351 V CA -0.004 62.234 62.300 -0.103 0.000 1.095 351 V CB 0.326 32.178 31.823 0.050 0.000 0.952 351 V HN 0.568 nan 8.190 nan 0.000 0.485 352 I N 5.376 125.822 120.570 -0.207 0.000 2.315 352 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 352 I C 0.228 176.270 176.117 -0.124 0.000 1.006 352 I CA -0.379 60.837 61.300 -0.139 0.000 1.265 352 I CB 1.289 39.213 38.000 -0.127 0.000 1.387 352 I HN 0.246 nan 8.210 nan 0.000 0.475 353 V N 9.697 129.556 119.914 -0.092 0.000 2.446 353 V HA 0.121 4.241 4.120 -0.000 0.000 0.276 353 V C -1.885 174.206 176.094 -0.004 0.000 1.030 353 V CA -1.113 61.129 62.300 -0.097 0.000 1.033 353 V CB 0.383 32.110 31.823 -0.160 0.000 0.993 353 V HN 0.604 nan 8.190 nan 0.000 0.477 354 P HA 0.185 nan 4.420 nan 0.000 0.271 354 P C -0.108 177.422 177.300 0.382 0.000 1.218 354 P CA -0.061 63.140 63.100 0.167 0.000 0.780 354 P CB 0.629 32.448 31.700 0.199 0.000 0.901 355 D N 0.553 121.135 120.400 0.303 0.000 2.469 355 D HA 0.132 4.772 4.640 -0.000 0.000 0.213 355 D C 1.151 177.549 176.300 0.163 0.000 1.135 355 D CA 0.204 54.418 54.000 0.357 0.000 0.834 355 D CB 0.403 41.388 40.800 0.309 0.000 1.009 355 D HN 0.407 nan 8.370 nan 0.000 0.507 356 G N 1.446 110.323 108.800 0.128 0.000 2.588 356 G HA2 0.369 4.329 3.960 -0.000 0.000 0.281 356 G HA3 0.369 4.329 3.960 -0.000 0.000 0.281 356 G C -2.548 172.355 174.900 0.004 0.000 1.236 356 G CA -0.908 44.227 45.100 0.058 0.000 0.969 356 G HN -0.136 nan 8.290 nan 0.000 0.504 357 P HA 0.245 nan 4.420 nan 0.000 0.266 357 P C 1.005 178.267 177.300 -0.062 0.000 1.195 357 P CA 1.412 64.475 63.100 -0.062 0.000 0.768 357 P CB 0.679 32.357 31.700 -0.036 0.000 0.838 358 G N 1.878 110.605 108.800 -0.123 0.000 2.582 358 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.288 358 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.288 358 G C 0.880 175.671 174.900 -0.183 0.000 1.247 358 G CA 0.214 45.234 45.100 -0.134 0.000 0.972 358 G HN 0.481 nan 8.290 nan 0.000 0.557 359 L N 1.491 122.664 121.223 -0.084 0.000 2.275 359 L HA 0.253 4.593 4.340 -0.000 0.000 0.215 359 L C 2.584 179.607 176.870 0.255 0.000 1.119 359 L CA 1.609 56.458 54.840 0.015 0.000 0.790 359 L CB -0.558 41.553 42.059 0.086 0.000 0.919 359 L HN 2.063 nan 8.230 nan 0.000 0.443 360 G N -0.889 108.003 108.800 0.154 0.000 2.179 360 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.220 360 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.220 360 G C 0.083 175.056 174.900 0.121 0.000 0.990 360 G CA -0.121 45.080 45.100 0.168 0.000 0.646 360 G HN 0.693 nan 8.290 nan 0.000 0.517 361 A N -0.859 122.022 122.820 0.101 0.000 2.590 361 A HA 0.812 5.132 4.320 -0.000 0.000 0.294 361 A C -0.529 177.076 177.584 0.035 0.000 1.046 361 A CA -0.457 51.617 52.037 0.062 0.000 0.684 361 A CB 0.968 20.008 19.000 0.067 0.000 1.279 361 A HN 0.565 nan 8.150 nan 0.000 0.415 362 R N 0.322 120.813 120.500 -0.014 0.000 2.668 362 R HA 0.736 5.076 4.340 -0.000 0.000 0.279 362 R C 0.027 176.146 176.300 -0.302 0.000 0.976 362 R CA -0.411 55.633 56.100 -0.094 0.000 0.978 362 R CB 2.103 32.400 30.300 -0.005 0.000 1.133 362 R HN 1.017 nan 8.270 nan 0.000 0.484 363 A N 1.507 123.887 122.820 -0.733 0.000 2.366 363 A HA 0.050 4.370 4.320 -0.000 0.000 0.272 363 A C -0.275 176.984 177.584 -0.540 0.000 1.135 363 A CA -0.337 51.261 52.037 -0.732 0.000 0.804 363 A CB 0.283 18.595 19.000 -1.147 0.000 1.064 363 A HN 0.647 nan 8.150 nan 0.000 0.499 364 D N 3.518 123.723 120.400 -0.325 0.000 2.346 364 D HA 0.158 4.798 4.640 -0.000 0.000 0.260 364 D C -1.564 174.588 176.300 -0.247 0.000 1.252 364 D CA -1.481 52.390 54.000 -0.214 0.000 0.895 364 D CB 1.117 41.843 40.800 -0.123 0.000 1.097 364 D HN 0.171 nan 8.370 nan 0.000 0.489 365 P HA -0.126 nan 4.420 nan 0.000 0.218 365 P C 0.824 178.037 177.300 -0.145 0.000 1.148 365 P CA 1.061 64.039 63.100 -0.204 0.000 0.822 365 P CB 0.327 31.990 31.700 -0.062 0.000 0.784 366 E N -0.186 119.959 120.200 -0.091 0.000 2.150 366 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 366 E C 1.791 178.369 176.600 -0.037 0.000 0.985 366 E CA 0.980 57.345 56.400 -0.059 0.000 0.814 366 E CB -0.274 29.389 29.700 -0.061 0.000 0.752 366 E HN 0.382 nan 8.360 nan 0.000 0.466 367 K N 0.545 120.928 120.400 -0.029 0.000 2.116 367 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 367 K C 2.224 178.866 176.600 0.071 0.000 1.052 367 K CA 0.511 56.862 56.287 0.107 0.000 0.952 367 K CB 0.018 32.604 32.500 0.144 0.000 0.729 367 K HN 0.087 nan 8.250 nan 0.000 0.446 368 L N 0.940 122.057 121.223 -0.178 0.000 2.083 368 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 368 L C 2.458 179.197 176.870 -0.218 0.000 1.083 368 L CA 1.199 55.795 54.840 -0.408 0.000 0.752 368 L CB -0.251 41.135 42.059 -1.121 0.000 0.899 368 L HN 0.198 nan 8.230 nan 0.000 0.433 369 E N -0.529 119.620 120.200 -0.086 0.000 2.122 369 E HA -0.228 4.122 4.350 -0.000 0.000 0.190 369 E C 2.120 178.769 176.600 0.082 0.000 0.977 369 E CA 0.923 57.379 56.400 0.093 0.000 0.820 369 E CB -0.023 29.737 29.700 0.100 0.000 0.770 369 E HN 0.405 nan 8.360 nan 0.000 0.462 370 H N -1.298 117.710 119.070 -0.103 0.000 2.423 370 H HA -0.083 4.473 4.556 -0.000 0.000 0.297 370 H C 0.648 175.789 175.328 -0.311 0.000 1.075 370 H CA 1.684 57.583 56.048 -0.249 0.000 1.342 370 H CB -0.049 29.465 29.762 -0.412 0.000 1.395 370 H HN 0.243 nan 8.280 nan 0.000 0.530 371 Y N -0.410 119.799 120.300 -0.153 0.000 2.458 371 Y HA 0.487 5.037 4.550 -0.000 0.000 0.256 371 Y C 1.114 176.975 175.900 -0.066 0.000 1.159 371 Y CA 0.149 58.132 58.100 -0.196 0.000 1.261 371 Y CB -0.075 38.302 38.460 -0.137 0.000 1.119 371 Y HN 0.250 nan 8.280 nan 0.000 0.524 372 A N 0.586 123.486 122.820 0.134 0.000 2.425 372 A HA 0.390 4.710 4.320 -0.000 0.000 0.249 372 A C 1.219 178.837 177.584 0.058 0.000 1.084 372 A CA 0.323 52.465 52.037 0.175 0.000 0.781 372 A CB 0.360 19.555 19.000 0.324 0.000 1.019 372 A HN 0.324 nan 8.150 nan 0.000 0.490 373 V N -0.657 119.248 119.914 -0.014 0.000 3.645 373 V HA 0.491 4.611 4.120 -0.000 0.000 0.275 373 V C 0.473 176.489 176.094 -0.129 0.000 1.356 373 V CA 0.642 62.865 62.300 -0.129 0.000 1.051 373 V CB -0.807 30.834 31.823 -0.304 0.000 0.828 373 V HN 0.905 nan 8.190 nan 0.000 0.441 374 R N 1.124 121.590 120.500 -0.058 0.000 2.664 374 R HA 0.627 4.967 4.340 -0.000 0.000 0.260 374 R C -1.297 175.036 176.300 0.055 0.000 1.062 374 R CA -0.487 55.568 56.100 -0.075 0.000 0.902 374 R CB 1.907 32.049 30.300 -0.264 0.000 1.258 374 R HN 0.591 nan 8.270 nan 0.000 0.465 375 R N 0.000 120.529 120.500 0.048 0.000 2.786 375 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 375 R CA 0.000 56.116 56.100 0.027 0.000 0.921 375 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535