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 2e8y_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVSIRRSFEA YVDDMNIITV LIPAEQKEIM TPPFRLETEI TDFPLAVREE DATA SEQUENCE YSLEAKYKYV CVSDHPVTFG KIHCVRASSG HKTDLQIGAV IRTAAFDDEF DATA SEQUENCE YYDGELGAVY TADHTVFKVW APAATSAAVK LSHPNKSGRT FQMTRLEKGV DATA SEQUENCE YAVTVTGDLH GYEYLFCICN NSEWMETVDQ YAKAVTVNGE KGVVLRPDQM DATA SEQUENCE KWTAPLKPFS HPVDAVIYET HLRDFSIHEN SGMINKGKYL ALTETDTQTA DATA SEQUENCE NGSSSGLAYV KELGVTHVEL LPVNDFAGVD EEKPLDAYNW GYNPLHFFAP DATA SEQUENCE EGSYASNPHD PQTRKTELKQ MINTLHQHGL RVILDVVFNH VYKRENSPFE DATA SEQUENCE KTVPGYFFRH DECGKPSNGT GVGNDIASER RMARKFIADC VVYWLEEYNV DATA SEQUENCE DGFRFDLLGI LDIDTVLYMK EKATKAKPGI LLFGEGWDLA TPLPHEQKAA DATA SEQUENCE LANAPRMPGI GFFNDMFRDA VKGNTFHLKA TGFALGNGES AQAVMHGIAG DATA SEQUENCE SSGWKALAPI VPEPSQSINY VESHDNHTFW DKMSFALPQE NDSRKRSRQR DATA SEQUENCE LAVAIILLAQ GVPFIHSGQE FFRTKQGVEN SYQSSDSINQ LDWDRRETFK DATA SEQUENCE EDVHYIRRLI SLRKAHPAFR LRSAADIQRH LECLTLKEHL IAYRLYDLDE DATA SEQUENCE VDEWKDIIVI HHASPDSVEW RLPNDIPYRL LCDPSGFQED PTEIKKTVAV DATA SEQUENCE NGIGTVILYL AS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 V N 2.199 122.128 119.914 0.024 0.000 3.385 2 V HA 0.987 5.107 4.120 -0.000 0.000 0.301 2 V C 0.012 176.122 176.094 0.027 0.000 1.082 2 V CA 0.677 62.992 62.300 0.025 0.000 1.085 2 V CB 1.383 33.220 31.823 0.024 0.000 1.152 2 V HN 1.129 nan 8.190 nan 0.000 0.465 3 S N 0.574 116.290 115.700 0.027 0.000 2.615 3 S HA 0.558 5.028 4.470 -0.000 0.000 0.268 3 S C -0.847 173.766 174.600 0.022 0.000 1.146 3 S CA -0.986 57.230 58.200 0.027 0.000 0.818 3 S CB 0.621 63.838 63.200 0.029 0.000 1.111 3 S HN 0.898 nan 8.310 nan 0.000 0.465 4 I N 1.701 122.281 120.570 0.018 0.000 2.618 4 I HA 0.218 4.387 4.170 -0.000 0.000 0.284 4 I C 1.095 177.214 176.117 0.003 0.000 1.146 4 I CA -0.166 61.140 61.300 0.009 0.000 1.425 4 I CB 0.413 38.412 38.000 -0.001 0.000 1.383 4 I HN 0.595 nan 8.210 nan 0.000 0.562 5 R N 7.082 127.584 120.500 0.004 0.000 2.347 5 R HA 0.361 4.701 4.340 -0.000 0.000 0.304 5 R C -0.765 175.527 176.300 -0.013 0.000 1.072 5 R CA -0.225 55.878 56.100 0.005 0.000 0.980 5 R CB 0.526 30.835 30.300 0.014 0.000 0.986 5 R HN 0.634 nan 8.270 nan 0.000 0.448 6 R N 2.101 122.588 120.500 -0.020 0.000 2.686 6 R HA 0.218 4.558 4.340 -0.000 0.000 0.283 6 R C 0.639 176.919 176.300 -0.034 0.000 0.978 6 R CA -0.684 55.376 56.100 -0.065 0.000 0.897 6 R CB 2.163 32.390 30.300 -0.122 0.000 1.192 6 R HN 0.671 nan 8.270 nan 0.000 0.457 7 S N 1.695 117.369 115.700 -0.043 0.000 2.353 7 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 7 S C 0.380 175.085 174.600 0.175 0.000 1.035 7 S CA 1.535 59.794 58.200 0.098 0.000 1.025 7 S CB -0.166 63.181 63.200 0.246 0.000 0.902 7 S HN 0.525 nan 8.310 nan 0.000 0.440 8 F N -0.642 119.319 119.950 0.017 0.000 2.923 8 F HA 0.770 5.296 4.527 -0.000 0.000 0.323 8 F C -1.080 174.697 175.800 -0.038 0.000 1.189 8 F CA -1.478 56.525 58.000 0.004 0.000 0.930 8 F CB 1.028 40.038 39.000 0.017 0.000 1.414 8 F HN -0.235 nan 8.300 nan 0.000 0.496 9 E N 0.459 120.751 120.200 0.153 0.000 2.244 9 E HA 0.788 5.138 4.350 -0.000 0.000 0.266 9 E C -1.441 175.101 176.600 -0.097 0.000 0.914 9 E CA -1.504 54.837 56.400 -0.098 0.000 0.794 9 E CB 2.284 31.990 29.700 0.011 0.000 1.210 9 E HN 0.913 nan 8.360 nan 0.000 0.414 10 A N 2.055 124.596 122.820 -0.465 0.000 2.488 10 A HA 0.610 4.930 4.320 -0.000 0.000 0.295 10 A C -1.947 175.289 177.584 -0.581 0.000 1.045 10 A CA -0.597 51.246 52.037 -0.323 0.000 0.703 10 A CB 0.610 19.519 19.000 -0.151 0.000 1.271 10 A HN 0.539 nan 8.150 nan 0.000 0.400 11 Y N 0.463 120.739 120.300 -0.040 0.000 2.512 11 Y HA 0.532 5.082 4.550 -0.000 0.000 0.348 11 Y C 0.052 175.926 175.900 -0.044 0.000 0.990 11 Y CA -1.123 56.954 58.100 -0.038 0.000 1.033 11 Y CB 2.262 40.702 38.460 -0.033 0.000 1.259 11 Y HN 0.369 nan 8.280 nan 0.000 0.461 12 V N 3.070 123.057 119.914 0.121 0.000 2.339 12 V HA 0.096 4.216 4.120 -0.000 0.000 0.261 12 V C -0.113 176.034 176.094 0.089 0.000 1.058 12 V CA -0.149 62.191 62.300 0.066 0.000 0.897 12 V CB 0.462 32.315 31.823 0.049 0.000 1.052 12 V HN 0.848 nan 8.190 nan 0.000 0.480 13 D N 2.252 122.689 120.400 0.062 0.000 2.350 13 D HA 0.130 4.770 4.640 -0.000 0.000 0.213 13 D C 0.391 176.711 176.300 0.033 0.000 1.031 13 D CA 0.659 54.675 54.000 0.028 0.000 0.861 13 D CB 0.716 41.521 40.800 0.009 0.000 0.926 13 D HN 0.575 nan 8.370 nan 0.000 0.520 14 D N -1.230 119.210 120.400 0.067 0.000 2.671 14 D HA 0.089 4.729 4.640 -0.000 0.000 0.273 14 D C 1.085 177.471 176.300 0.143 0.000 1.264 14 D CA -0.472 53.583 54.000 0.092 0.000 0.788 14 D CB 1.039 41.876 40.800 0.062 0.000 1.324 14 D HN -0.388 nan 8.370 nan 0.000 0.424 15 M N 0.715 120.423 119.600 0.179 0.000 2.260 15 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 15 M C 1.083 177.446 176.300 0.104 0.000 1.066 15 M CA 1.527 56.955 55.300 0.214 0.000 1.082 15 M CB -1.118 31.598 32.600 0.193 0.000 1.388 15 M HN 0.496 nan 8.290 nan 0.000 0.419 16 N N 0.019 118.753 118.700 0.057 0.000 2.307 16 N HA 0.172 4.912 4.740 -0.000 0.000 0.248 16 N C -0.573 174.937 175.510 0.001 0.000 1.322 16 N CA -0.270 52.785 53.050 0.008 0.000 0.861 16 N CB 0.179 38.671 38.487 0.008 0.000 1.303 16 N HN 0.386 nan 8.380 nan 0.000 0.498 17 I N -1.974 118.602 120.570 0.011 0.000 2.498 17 I HA 0.636 4.806 4.170 -0.000 0.000 0.290 17 I C -1.391 174.724 176.117 -0.002 0.000 1.032 17 I CA -1.013 60.291 61.300 0.006 0.000 1.073 17 I CB 1.708 39.720 38.000 0.019 0.000 1.251 17 I HN -0.102 nan 8.210 nan 0.000 0.426 18 I N 5.725 126.284 120.570 -0.018 0.000 2.389 18 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 18 I C -0.297 175.804 176.117 -0.027 0.000 0.999 18 I CA -0.451 60.833 61.300 -0.028 0.000 1.129 18 I CB 2.104 40.065 38.000 -0.065 0.000 1.288 18 I HN 0.628 nan 8.210 nan 0.000 0.444 19 T N 5.935 120.498 114.554 0.014 0.000 2.743 19 T HA 0.346 4.696 4.350 -0.000 0.000 0.293 19 T C -0.075 174.631 174.700 0.011 0.000 0.945 19 T CA -0.315 61.791 62.100 0.011 0.000 1.030 19 T CB 1.098 69.996 68.868 0.051 0.000 0.912 19 T HN 0.153 nan 8.240 nan 0.000 0.483 20 V N 5.916 125.778 119.914 -0.086 0.000 2.370 20 V HA 0.431 4.551 4.120 -0.000 0.000 0.283 20 V C -0.140 175.944 176.094 -0.017 0.000 1.023 20 V CA -0.759 61.458 62.300 -0.138 0.000 0.857 20 V CB 1.231 32.699 31.823 -0.592 0.000 0.985 20 V HN 0.725 nan 8.190 nan 0.000 0.443 21 L N 6.504 127.781 121.223 0.090 0.000 2.305 21 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 21 L C -0.652 176.327 176.870 0.181 0.000 1.013 21 L CA -0.326 54.588 54.840 0.122 0.000 0.819 21 L CB 1.733 43.890 42.059 0.163 0.000 1.227 21 L HN 0.480 nan 8.230 nan 0.000 0.417 22 I N 5.415 126.094 120.570 0.181 0.000 2.378 22 I HA 0.337 4.507 4.170 -0.000 0.000 0.291 22 I C -2.026 174.194 176.117 0.173 0.000 0.992 22 I CA -2.124 59.290 61.300 0.189 0.000 1.154 22 I CB 2.302 40.425 38.000 0.205 0.000 1.315 22 I HN 0.342 nan 8.210 nan 0.000 0.448 23 P HA -0.044 nan 4.420 nan 0.000 0.264 23 P C 0.548 177.906 177.300 0.097 0.000 1.193 23 P CA 0.147 63.314 63.100 0.112 0.000 0.763 23 P CB 1.071 32.828 31.700 0.096 0.000 0.810 24 A N 5.462 128.336 122.820 0.091 0.000 1.882 24 A HA -0.272 4.048 4.320 -0.000 0.000 0.220 24 A C 1.617 179.225 177.584 0.041 0.000 1.253 24 A CA 2.614 54.694 52.037 0.072 0.000 0.664 24 A CB -1.622 17.414 19.000 0.060 0.000 0.838 24 A HN 0.658 nan 8.150 nan 0.000 0.460 25 E N -0.087 120.134 120.200 0.035 0.000 2.482 25 E HA -0.049 4.301 4.350 -0.000 0.000 0.200 25 E C 0.910 177.517 176.600 0.012 0.000 1.147 25 E CA 0.923 57.335 56.400 0.020 0.000 0.912 25 E CB -0.144 29.570 29.700 0.022 0.000 0.938 25 E HN 0.675 nan 8.360 nan 0.000 0.519 26 Q N -0.338 119.472 119.800 0.015 0.000 2.113 26 Q HA 0.154 4.494 4.340 -0.000 0.000 0.225 26 Q C 1.141 177.138 176.000 -0.005 0.000 0.786 26 Q CA 0.070 55.868 55.803 -0.008 0.000 0.989 26 Q CB 0.414 29.143 28.738 -0.015 0.000 1.174 26 Q HN 0.378 nan 8.270 nan 0.000 0.470 27 K N 1.397 121.805 120.400 0.014 0.000 2.074 27 K HA -0.182 4.137 4.320 -0.000 0.000 0.209 27 K C 1.108 177.697 176.600 -0.019 0.000 1.048 27 K CA 1.444 57.739 56.287 0.013 0.000 0.926 27 K CB 0.442 32.895 32.500 -0.079 0.000 0.713 27 K HN -0.032 nan 8.250 nan 0.000 0.444 28 E N 0.191 120.367 120.200 -0.040 0.000 2.371 28 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 28 E C 1.862 178.438 176.600 -0.039 0.000 1.012 28 E CA 0.552 56.927 56.400 -0.042 0.000 0.860 28 E CB 0.123 29.799 29.700 -0.040 0.000 0.811 28 E HN 0.464 nan 8.360 nan 0.000 0.502 29 I N 0.074 120.617 120.570 -0.044 0.000 2.731 29 I HA -0.019 4.151 4.170 -0.000 0.000 0.235 29 I C 1.087 177.152 176.117 -0.087 0.000 1.064 29 I CA 0.180 61.450 61.300 -0.050 0.000 1.439 29 I CB -0.120 37.846 38.000 -0.056 0.000 1.255 29 I HN -0.083 nan 8.210 nan 0.000 0.446 30 M N 3.151 122.664 119.600 -0.144 0.000 3.102 30 M HA 0.058 4.537 4.480 -0.000 0.000 0.269 30 M C -0.111 176.072 176.300 -0.194 0.000 1.551 30 M CA 0.290 55.467 55.300 -0.206 0.000 1.629 30 M CB -0.739 31.686 32.600 -0.293 0.000 1.324 30 M HN 0.372 nan 8.290 nan 0.000 0.509 31 T N 0.103 114.490 114.554 -0.278 0.000 2.942 31 T HA 0.746 5.096 4.350 -0.000 0.000 0.289 31 T C -2.768 171.403 174.700 -0.882 0.000 1.044 31 T CA -2.136 59.737 62.100 -0.377 0.000 1.023 31 T CB 1.913 70.668 68.868 -0.188 0.000 1.123 31 T HN 0.192 nan 8.240 nan 0.000 0.512 32 P HA 0.364 nan 4.420 nan 0.000 0.274 32 P C -2.707 174.270 177.300 -0.538 0.000 1.256 32 P CA -1.426 60.981 63.100 -1.155 0.000 0.795 32 P CB -0.986 30.368 31.700 -0.577 0.000 1.038 33 P HA 0.210 nan 4.420 nan 0.000 0.271 33 P C -0.785 176.230 177.300 -0.475 0.000 1.218 33 P CA 0.509 63.412 63.100 -0.328 0.000 0.780 33 P CB 0.082 31.699 31.700 -0.138 0.000 0.901 34 F N 1.752 121.636 119.950 -0.110 0.000 2.458 34 F HA 0.553 5.080 4.527 -0.000 0.000 0.330 34 F C 1.181 176.969 175.800 -0.021 0.000 1.082 34 F CA -0.466 57.480 58.000 -0.089 0.000 0.995 34 F CB 1.680 40.601 39.000 -0.132 0.000 1.170 34 F HN 0.001 nan 8.300 nan 0.000 0.478 35 R N 1.773 122.394 120.500 0.202 0.000 2.744 35 R HA 0.600 4.940 4.340 -0.000 0.000 0.279 35 R C -1.765 174.629 176.300 0.157 0.000 0.977 35 R CA -1.275 54.914 56.100 0.149 0.000 0.906 35 R CB 2.561 32.920 30.300 0.098 0.000 1.197 35 R HN 0.468 nan 8.270 nan 0.000 0.463 36 L N 1.556 122.870 121.223 0.150 0.000 2.307 36 L HA 0.380 4.720 4.340 -0.000 0.000 0.282 36 L C -0.733 176.243 176.870 0.177 0.000 1.051 36 L CA 0.335 55.250 54.840 0.125 0.000 0.804 36 L CB 1.181 43.273 42.059 0.053 0.000 1.197 36 L HN 0.590 nan 8.230 nan 0.000 0.431 37 E N 2.741 123.038 120.200 0.161 0.000 2.314 37 E HA 0.733 5.083 4.350 -0.000 0.000 0.272 37 E C -1.276 175.424 176.600 0.166 0.000 0.884 37 E CA -0.810 55.687 56.400 0.162 0.000 0.753 37 E CB 2.222 31.987 29.700 0.108 0.000 1.213 37 E HN 0.607 nan 8.360 nan 0.000 0.432 38 T N 0.981 115.620 114.554 0.142 0.000 2.830 38 T HA 0.107 4.457 4.350 -0.000 0.000 0.322 38 T C -1.421 173.313 174.700 0.056 0.000 1.501 38 T CA -0.979 61.161 62.100 0.067 0.000 1.036 38 T CB 1.347 70.244 68.868 0.049 0.000 1.379 38 T HN 0.290 nan 8.240 nan 0.000 0.493 39 E N 1.984 122.192 120.200 0.014 0.000 2.585 39 E HA 0.102 4.452 4.350 -0.000 0.000 0.252 39 E C 1.033 177.658 176.600 0.043 0.000 0.981 39 E CA 0.589 57.002 56.400 0.020 0.000 0.943 39 E CB -0.335 29.366 29.700 0.002 0.000 0.923 39 E HN 0.727 nan 8.360 nan 0.000 0.486 40 I N 0.150 120.751 120.570 0.051 0.000 5.447 40 I HA -0.296 3.874 4.170 -0.000 0.000 0.154 40 I C 0.144 176.332 176.117 0.118 0.000 1.813 40 I CA 1.102 62.441 61.300 0.065 0.000 2.037 40 I CB -1.844 36.193 38.000 0.061 0.000 3.343 40 I HN 0.550 nan 8.210 nan 0.000 0.169 41 T N -2.092 112.555 114.554 0.154 0.000 2.952 41 T HA 0.645 4.995 4.350 -0.000 0.000 0.305 41 T C -1.056 173.794 174.700 0.250 0.000 1.064 41 T CA -0.645 61.639 62.100 0.306 0.000 1.008 41 T CB 3.177 72.316 68.868 0.452 0.000 1.078 41 T HN 0.203 nan 8.240 nan 0.000 0.459 42 D N 2.193 122.690 120.400 0.162 0.000 2.319 42 D HA 0.364 5.004 4.640 -0.000 0.000 0.237 42 D C -1.550 174.699 176.300 -0.085 0.000 1.353 42 D CA -0.247 53.806 54.000 0.088 0.000 0.992 42 D CB 0.825 41.614 40.800 -0.018 0.000 1.368 42 D HN 0.383 nan 8.370 nan 0.000 0.564 43 F N 2.768 122.732 119.950 0.024 0.000 2.598 43 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 43 F C -1.825 173.989 175.800 0.023 0.000 1.057 43 F CA -1.848 56.163 58.000 0.018 0.000 0.957 43 F CB 1.631 40.638 39.000 0.012 0.000 1.278 43 F HN 0.041 nan 8.300 nan 0.000 0.484 44 P HA 0.410 nan 4.420 nan 0.000 0.279 44 P C -1.316 176.062 177.300 0.131 0.000 1.252 44 P CA -0.269 62.905 63.100 0.124 0.000 0.811 44 P CB 1.736 33.483 31.700 0.079 0.000 1.035 45 L N 0.881 122.172 121.223 0.114 0.000 2.381 45 L HA 0.610 4.950 4.340 -0.000 0.000 0.274 45 L C 0.280 177.211 176.870 0.101 0.000 0.988 45 L CA -1.058 53.844 54.840 0.104 0.000 0.824 45 L CB 1.994 44.122 42.059 0.116 0.000 1.263 45 L HN 0.371 nan 8.230 nan 0.000 0.410 46 A N 3.226 126.095 122.820 0.082 0.000 2.301 46 A HA 0.602 4.921 4.320 -0.000 0.000 0.298 46 A C -0.233 177.407 177.584 0.094 0.000 1.185 46 A CA -0.426 51.660 52.037 0.081 0.000 0.830 46 A CB 0.960 19.998 19.000 0.064 0.000 1.112 46 A HN 0.432 nan 8.150 nan 0.000 0.508 47 V N 4.814 124.800 119.914 0.119 0.000 2.356 47 V HA 0.114 4.234 4.120 -0.000 0.000 0.258 47 V C 1.664 177.821 176.094 0.105 0.000 1.065 47 V CA 0.018 62.406 62.300 0.148 0.000 0.935 47 V CB 0.185 32.150 31.823 0.236 0.000 1.061 47 V HN 1.105 nan 8.190 nan 0.000 0.484 48 R N 4.195 124.742 120.500 0.078 0.000 2.075 48 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 48 R C 0.537 176.876 176.300 0.064 0.000 1.126 48 R CA 1.560 57.697 56.100 0.062 0.000 0.963 48 R CB 0.439 30.768 30.300 0.049 0.000 0.858 48 R HN 0.894 nan 8.270 nan 0.000 0.435 49 E N -0.568 119.666 120.200 0.056 0.000 2.401 49 E HA 0.152 4.502 4.350 -0.000 0.000 0.280 49 E C -1.790 174.772 176.600 -0.062 0.000 1.039 49 E CA -1.077 55.351 56.400 0.046 0.000 0.814 49 E CB 1.291 31.047 29.700 0.094 0.000 1.275 49 E HN 0.310 nan 8.360 nan 0.000 0.448 50 E N 0.710 120.839 120.200 -0.119 0.000 2.366 50 E HA 0.634 4.984 4.350 -0.000 0.000 0.278 50 E C -1.484 174.894 176.600 -0.371 0.000 0.923 50 E CA -0.967 55.137 56.400 -0.494 0.000 0.761 50 E CB 1.915 31.286 29.700 -0.549 0.000 1.231 50 E HN 0.631 nan 8.360 nan 0.000 0.443 51 Y N -1.400 118.494 120.300 -0.676 0.000 2.662 51 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 51 Y C -0.816 174.800 175.900 -0.473 0.000 1.185 51 Y CA -1.220 56.646 58.100 -0.390 0.000 1.074 51 Y CB 0.929 39.283 38.460 -0.177 0.000 1.330 51 Y HN 0.527 nan 8.280 nan 0.000 0.458 52 S N 1.248 117.058 115.700 0.185 0.000 2.592 52 S HA 0.745 5.215 4.470 -0.000 0.000 0.271 52 S C -0.869 173.844 174.600 0.188 0.000 1.326 52 S CA -0.086 58.261 58.200 0.245 0.000 1.024 52 S CB 0.358 63.739 63.200 0.300 0.000 0.921 52 S HN 0.559 nan 8.310 nan 0.000 0.527 53 L N 2.163 123.468 121.223 0.136 0.000 2.230 53 L HA 0.543 4.883 4.340 -0.000 0.000 0.255 53 L C 1.549 178.472 176.870 0.087 0.000 1.039 53 L CA -0.477 54.427 54.840 0.107 0.000 0.846 53 L CB 0.520 42.627 42.059 0.079 0.000 1.419 53 L HN 0.882 nan 8.230 nan 0.000 0.435 54 E N 0.718 120.957 120.200 0.065 0.000 2.045 54 E HA -0.268 4.082 4.350 -0.000 0.000 0.212 54 E C 0.826 177.461 176.600 0.058 0.000 1.039 54 E CA 2.429 58.861 56.400 0.053 0.000 0.860 54 E CB 0.015 29.740 29.700 0.042 0.000 0.776 54 E HN 0.634 nan 8.360 nan 0.000 0.467 55 A N -0.179 122.677 122.820 0.061 0.000 2.564 55 A HA 0.293 4.613 4.320 -0.000 0.000 0.279 55 A C -0.360 177.272 177.584 0.080 0.000 1.232 55 A CA -0.428 51.647 52.037 0.063 0.000 0.950 55 A CB 0.397 19.430 19.000 0.054 0.000 1.138 55 A HN 0.082 nan 8.150 nan 0.000 0.526 56 K N -1.355 119.101 120.400 0.092 0.000 2.533 56 K HA 0.485 4.805 4.320 -0.000 0.000 0.272 56 K C -1.913 174.773 176.600 0.143 0.000 0.985 56 K CA -0.703 55.653 56.287 0.114 0.000 0.876 56 K CB 1.871 34.427 32.500 0.094 0.000 1.452 56 K HN 0.105 nan 8.250 nan 0.000 0.439 57 Y N 1.735 122.039 120.300 0.005 0.000 2.352 57 Y HA 0.363 4.913 4.550 -0.000 0.000 0.339 57 Y C -0.722 175.101 175.900 -0.127 0.000 0.992 57 Y CA -0.647 57.410 58.100 -0.071 0.000 1.100 57 Y CB 1.368 39.792 38.460 -0.059 0.000 1.192 57 Y HN 0.446 nan 8.280 nan 0.000 0.458 58 K N 4.939 124.840 120.400 -0.832 0.000 2.164 58 K HA 0.472 4.792 4.320 -0.000 0.000 0.258 58 K C -2.156 173.863 176.600 -0.967 0.000 0.951 58 K CA -0.587 55.272 56.287 -0.714 0.000 0.844 58 K CB 0.972 33.053 32.500 -0.697 0.000 1.099 58 K HN 0.696 nan 8.250 nan 0.000 0.435 59 Y N 1.716 121.740 120.300 -0.460 0.000 2.338 59 Y HA 0.283 4.833 4.550 -0.000 0.000 0.333 59 Y C -0.607 175.130 175.900 -0.272 0.000 0.968 59 Y CA -0.961 56.940 58.100 -0.331 0.000 1.123 59 Y CB 2.129 40.460 38.460 -0.214 0.000 1.165 59 Y HN 0.142 nan 8.280 nan 0.000 0.452 60 V N 4.023 123.886 119.914 -0.085 0.000 2.334 60 V HA 0.245 4.365 4.120 -0.000 0.000 0.267 60 V C -0.129 175.972 176.094 0.012 0.000 1.040 60 V CA -0.630 61.642 62.300 -0.047 0.000 0.866 60 V CB -0.208 31.595 31.823 -0.033 0.000 1.019 60 V HN 0.887 nan 8.190 nan 0.000 0.468 61 C N 4.855 124.156 119.300 0.002 0.000 2.365 61 C HA 0.787 5.247 4.460 -0.000 0.000 0.349 61 C C 0.320 175.320 174.990 0.016 0.000 1.191 61 C CA -0.747 58.284 59.018 0.021 0.000 2.114 61 C CB 1.370 29.109 27.740 -0.002 0.000 2.367 61 C HN 0.597 nan 8.230 nan 0.000 0.530 62 V N 2.293 122.224 119.914 0.029 0.000 2.680 62 V HA 0.671 4.791 4.120 -0.000 0.000 0.309 62 V C -0.002 176.103 176.094 0.018 0.000 1.052 62 V CA -0.209 62.104 62.300 0.021 0.000 0.908 62 V CB 2.044 33.886 31.823 0.030 0.000 1.001 62 V HN 1.045 nan 8.190 nan 0.000 0.431 63 S N 1.070 116.768 115.700 -0.004 0.000 2.501 63 S HA 0.440 4.910 4.470 -0.000 0.000 0.301 63 S C 0.203 174.792 174.600 -0.019 0.000 1.096 63 S CA -0.726 57.462 58.200 -0.019 0.000 1.063 63 S CB 1.836 64.990 63.200 -0.078 0.000 1.042 63 S HN 0.619 nan 8.310 nan 0.000 0.494 64 D N 1.308 121.707 120.400 -0.003 0.000 2.117 64 D HA 0.037 4.677 4.640 -0.000 0.000 0.197 64 D C 1.209 177.483 176.300 -0.043 0.000 0.987 64 D CA 2.218 56.221 54.000 0.006 0.000 0.829 64 D CB -0.744 40.092 40.800 0.061 0.000 0.961 64 D HN 0.920 nan 8.370 nan 0.000 0.460 65 H N 0.060 119.054 119.070 -0.127 0.000 2.472 65 H HA 0.571 5.127 4.556 -0.000 0.000 0.338 65 H C -2.448 172.790 175.328 -0.150 0.000 1.133 65 H CA -2.335 53.616 56.048 -0.161 0.000 1.216 65 H CB 0.398 29.982 29.762 -0.298 0.000 1.497 65 H HN -0.148 nan 8.280 nan 0.000 0.500 66 P HA 0.160 nan 4.420 nan 0.000 0.269 66 P C -0.062 177.166 177.300 -0.119 0.000 1.209 66 P CA -0.332 62.735 63.100 -0.056 0.000 0.776 66 P CB 0.812 32.519 31.700 0.011 0.000 0.876 67 V N 2.504 122.316 119.914 -0.169 0.000 2.763 67 V HA 0.084 4.204 4.120 -0.000 0.000 0.306 67 V C 0.779 176.684 176.094 -0.315 0.000 1.059 67 V CA 0.468 62.540 62.300 -0.380 0.000 1.138 67 V CB 0.081 31.555 31.823 -0.583 0.000 0.940 67 V HN 0.690 nan 8.190 nan 0.000 0.489 68 T N 2.713 117.158 114.554 -0.183 0.000 2.753 68 T HA 0.626 4.976 4.350 -0.000 0.000 0.297 68 T C -0.631 174.109 174.700 0.067 0.000 0.981 68 T CA -0.476 61.647 62.100 0.038 0.000 0.956 68 T CB 0.120 69.043 68.868 0.092 0.000 0.936 68 T HN 0.176 nan 8.240 nan 0.000 0.463 69 F N 1.628 121.734 119.950 0.261 0.000 2.410 69 F HA 0.573 5.100 4.527 -0.000 0.000 0.334 69 F C 1.756 177.592 175.800 0.061 0.000 1.134 69 F CA 0.518 58.616 58.000 0.164 0.000 1.227 69 F CB 0.631 39.685 39.000 0.089 0.000 1.194 69 F HN 0.918 nan 8.300 nan 0.000 0.571 70 G N 0.485 109.393 108.800 0.179 0.000 2.238 70 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 70 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 70 G C -0.023 174.884 174.900 0.012 0.000 0.996 70 G CA -0.566 44.593 45.100 0.099 0.000 0.632 70 G HN 0.403 nan 8.290 nan 0.000 0.503 71 K N 0.394 120.740 120.400 -0.090 0.000 2.259 71 K HA 0.645 4.965 4.320 -0.000 0.000 0.249 71 K C 0.264 176.658 176.600 -0.343 0.000 0.942 71 K CA -0.928 55.235 56.287 -0.207 0.000 0.816 71 K CB 1.972 34.316 32.500 -0.260 0.000 1.155 71 K HN 0.256 nan 8.250 nan 0.000 0.428 72 I N 3.715 124.140 120.570 -0.242 0.000 2.533 72 I HA -0.011 4.159 4.170 -0.000 0.000 0.284 72 I C 0.543 176.497 176.117 -0.271 0.000 1.109 72 I CA 0.243 61.425 61.300 -0.197 0.000 1.412 72 I CB 0.199 38.136 38.000 -0.105 0.000 1.396 72 I HN 0.184 nan 8.210 nan 0.000 0.543 73 H N 5.074 124.105 119.070 -0.066 0.000 2.472 73 H HA 0.401 4.957 4.556 -0.000 0.000 0.338 73 H C -0.900 174.393 175.328 -0.058 0.000 1.133 73 H CA -0.536 55.474 56.048 -0.063 0.000 1.216 73 H CB 1.930 31.635 29.762 -0.094 0.000 1.497 73 H HN 0.538 nan 8.280 nan 0.000 0.500 74 C N 3.104 122.467 119.300 0.104 0.000 2.455 74 C HA 0.404 4.864 4.460 -0.000 0.000 0.320 74 C C 0.064 175.101 174.990 0.079 0.000 1.226 74 C CA -0.852 58.195 59.018 0.049 0.000 1.569 74 C CB 0.780 28.541 27.740 0.036 0.000 2.200 74 C HN 0.625 nan 8.230 nan 0.000 0.491 75 V N 2.248 122.207 119.914 0.075 0.000 2.384 75 V HA 0.662 4.781 4.120 -0.000 0.000 0.287 75 V C -0.323 175.954 176.094 0.305 0.000 1.020 75 V CA -0.676 61.723 62.300 0.165 0.000 0.850 75 V CB 1.133 33.047 31.823 0.150 0.000 0.987 75 V HN 0.922 nan 8.190 nan 0.000 0.436 76 R N 3.847 124.522 120.500 0.293 0.000 2.393 76 R HA 0.813 5.153 4.340 -0.000 0.000 0.310 76 R C 0.098 176.581 176.300 0.305 0.000 0.968 76 R CA -0.049 56.234 56.100 0.306 0.000 0.867 76 R CB 1.648 32.045 30.300 0.161 0.000 1.124 76 R HN 1.064 nan 8.270 nan 0.000 0.450 77 A N 1.981 124.973 122.820 0.286 0.000 2.271 77 A HA 0.207 4.527 4.320 -0.000 0.000 0.288 77 A C 1.143 178.651 177.584 -0.128 0.000 1.094 77 A CA -0.021 51.982 52.037 -0.058 0.000 0.828 77 A CB 0.809 19.727 19.000 -0.138 0.000 1.091 77 A HN 0.987 nan 8.150 nan 0.000 0.493 78 S N 0.172 115.682 115.700 -0.315 0.000 2.399 78 S HA -0.180 4.290 4.470 -0.000 0.000 0.231 78 S C 1.701 176.253 174.600 -0.080 0.000 1.022 78 S CA 1.713 59.797 58.200 -0.194 0.000 0.983 78 S CB -0.889 62.163 63.200 -0.247 0.000 0.803 78 S HN 1.474 nan 8.310 nan 0.000 0.480 79 S N 0.570 116.250 115.700 -0.033 0.000 2.547 79 S HA 0.344 4.814 4.470 -0.000 0.000 0.235 79 S C 1.740 176.402 174.600 0.104 0.000 0.980 79 S CA 0.764 59.014 58.200 0.084 0.000 0.941 79 S CB -0.808 62.516 63.200 0.206 0.000 0.763 79 S HN 1.505 nan 8.310 nan 0.000 0.532 80 G N 0.199 109.047 108.800 0.079 0.000 2.234 80 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.235 80 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.235 80 G C -0.030 174.899 174.900 0.050 0.000 0.997 80 G CA 0.062 45.178 45.100 0.026 0.000 0.623 80 G HN 0.681 nan 8.290 nan 0.000 0.514 81 H N 1.110 120.266 119.070 0.144 0.000 2.836 81 H HA 0.639 5.195 4.556 -0.000 0.000 0.368 81 H C 0.776 176.313 175.328 0.349 0.000 1.164 81 H CA 0.870 57.066 56.048 0.248 0.000 1.425 81 H CB 0.564 30.547 29.762 0.368 0.000 1.414 81 H HN 0.430 nan 8.280 nan 0.000 0.614 82 K N 0.197 120.778 120.400 0.302 0.000 2.495 82 K HA 0.608 4.928 4.320 -0.000 0.000 0.268 82 K C -0.881 175.543 176.600 -0.294 0.000 1.008 82 K CA -0.951 55.393 56.287 0.095 0.000 0.882 82 K CB 2.762 35.294 32.500 0.054 0.000 1.443 82 K HN 0.548 nan 8.250 nan 0.000 0.447 83 T N 0.457 114.776 114.554 -0.393 0.000 2.840 83 T HA 0.138 4.488 4.350 -0.000 0.000 0.317 83 T C -2.099 172.443 174.700 -0.264 0.000 1.401 83 T CA -0.889 60.929 62.100 -0.471 0.000 1.028 83 T CB 1.047 69.373 68.868 -0.902 0.000 1.317 83 T HN 0.705 nan 8.240 nan 0.000 0.495 84 D N 3.236 123.509 120.400 -0.212 0.000 2.308 84 D HA 0.158 4.798 4.640 -0.000 0.000 0.251 84 D C 0.233 176.437 176.300 -0.161 0.000 1.127 84 D CA -0.476 53.441 54.000 -0.138 0.000 0.876 84 D CB 0.901 41.634 40.800 -0.112 0.000 1.176 84 D HN 0.488 nan 8.370 nan 0.000 0.446 85 L N 1.691 122.861 121.223 -0.088 0.000 2.500 85 L HA -0.023 4.317 4.340 -0.000 0.000 0.272 85 L C 0.746 177.554 176.870 -0.102 0.000 1.149 85 L CA 0.240 55.019 54.840 -0.102 0.000 0.897 85 L CB 0.313 42.357 42.059 -0.024 0.000 1.178 85 L HN 0.344 nan 8.230 nan 0.000 0.473 86 Q N 3.379 123.065 119.800 -0.190 0.000 2.169 86 Q HA 0.466 4.806 4.340 -0.000 0.000 0.234 86 Q C -0.543 175.498 176.000 0.069 0.000 0.980 86 Q CA -0.886 54.862 55.803 -0.091 0.000 0.941 86 Q CB 2.092 30.719 28.738 -0.184 0.000 1.199 86 Q HN 0.544 nan 8.270 nan 0.000 0.496 87 I N 1.027 121.677 120.570 0.133 0.000 2.416 87 I HA 0.204 4.373 4.170 -0.000 0.000 0.288 87 I C 0.687 176.910 176.117 0.177 0.000 1.051 87 I CA 0.029 61.409 61.300 0.134 0.000 1.375 87 I CB 0.726 38.760 38.000 0.057 0.000 1.407 87 I HN 0.649 nan 8.210 nan 0.000 0.516 88 G N 3.396 112.264 108.800 0.114 0.000 3.039 88 G HA2 0.504 4.464 3.960 -0.000 0.000 0.159 88 G HA3 0.504 4.464 3.960 -0.000 0.000 0.159 88 G C 0.708 175.561 174.900 -0.078 0.000 1.284 88 G CA 0.067 45.184 45.100 0.028 0.000 0.996 88 G HN 0.639 nan 8.290 nan 0.000 0.592 89 A N -0.918 121.841 122.820 -0.101 0.000 2.235 89 A HA 0.280 4.600 4.320 -0.000 0.000 0.208 89 A C 2.211 179.714 177.584 -0.136 0.000 1.172 89 A CA 1.087 53.038 52.037 -0.143 0.000 0.786 89 A CB -0.437 18.486 19.000 -0.129 0.000 0.804 89 A HN 0.865 nan 8.150 nan 0.000 0.479 90 V N 1.414 121.266 119.914 -0.104 0.000 2.439 90 V HA -0.302 3.818 4.120 -0.000 0.000 0.253 90 V C 2.260 178.131 176.094 -0.371 0.000 1.074 90 V CA 2.400 64.640 62.300 -0.099 0.000 1.076 90 V CB -0.631 31.229 31.823 0.061 0.000 0.664 90 V HN 0.723 nan 8.190 nan 0.000 0.461 91 I N -1.512 118.689 120.570 -0.616 0.000 2.423 91 I HA -0.209 3.961 4.170 -0.000 0.000 0.254 91 I C 2.212 178.176 176.117 -0.255 0.000 1.151 91 I CA 1.719 62.470 61.300 -0.915 0.000 1.421 91 I CB -0.714 36.981 38.000 -0.508 0.000 1.079 91 I HN 0.195 nan 8.210 nan 0.000 0.431 92 R N 1.614 122.019 120.500 -0.159 0.000 2.388 92 R HA 0.148 4.488 4.340 -0.000 0.000 0.247 92 R C 0.429 176.723 176.300 -0.010 0.000 0.931 92 R CA 0.285 56.332 56.100 -0.088 0.000 1.082 92 R CB 0.035 30.259 30.300 -0.126 0.000 1.135 92 R HN 0.547 nan 8.270 nan 0.000 0.525 93 T N -3.361 111.228 114.554 0.059 0.000 2.913 93 T HA 0.405 4.755 4.350 -0.000 0.000 0.287 93 T C 1.391 176.189 174.700 0.162 0.000 1.008 93 T CA -0.401 61.760 62.100 0.101 0.000 1.067 93 T CB 2.062 71.004 68.868 0.124 0.000 0.996 93 T HN 0.045 nan 8.240 nan 0.000 0.513 94 A N 1.844 124.725 122.820 0.102 0.000 1.933 94 A HA 0.213 4.533 4.320 -0.000 0.000 0.218 94 A C 2.600 180.254 177.584 0.117 0.000 1.175 94 A CA 1.611 53.701 52.037 0.089 0.000 0.628 94 A CB -1.452 17.572 19.000 0.039 0.000 0.814 94 A HN 1.236 nan 8.150 nan 0.000 0.444 95 A N -1.093 121.803 122.820 0.127 0.000 1.877 95 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 95 A C 2.064 179.747 177.584 0.166 0.000 1.186 95 A CA 1.642 53.750 52.037 0.119 0.000 0.620 95 A CB -0.741 18.333 19.000 0.122 0.000 0.822 95 A HN 0.667 nan 8.150 nan 0.000 0.443 96 F N 0.777 120.796 119.950 0.114 0.000 2.134 96 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 96 F C 1.956 177.914 175.800 0.263 0.000 1.097 96 F CA 2.010 60.118 58.000 0.181 0.000 1.264 96 F CB -0.156 38.931 39.000 0.145 0.000 1.001 96 F HN 0.243 nan 8.300 nan 0.000 0.479 97 D N 0.524 121.161 120.400 0.396 0.000 2.092 97 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 97 D C 1.807 178.216 176.300 0.181 0.000 0.994 97 D CA 1.689 55.895 54.000 0.343 0.000 0.828 97 D CB -0.393 40.568 40.800 0.267 0.000 0.963 97 D HN 0.285 nan 8.370 nan 0.000 0.450 98 D N -0.156 120.296 120.400 0.086 0.000 2.178 98 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 98 D C 1.920 178.192 176.300 -0.046 0.000 0.980 98 D CA 0.745 54.759 54.000 0.023 0.000 0.842 98 D CB -0.169 40.629 40.800 -0.004 0.000 0.948 98 D HN 0.308 nan 8.370 nan 0.000 0.472 99 E N -0.280 119.814 120.200 -0.176 0.000 2.107 99 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 99 E C 1.135 177.346 176.600 -0.648 0.000 0.982 99 E CA 0.989 57.103 56.400 -0.478 0.000 0.809 99 E CB -0.274 28.986 29.700 -0.733 0.000 0.756 99 E HN 0.305 nan 8.360 nan 0.000 0.459 100 F N -0.991 118.880 119.950 -0.132 0.000 2.678 100 F HA 0.205 4.732 4.527 -0.000 0.000 0.305 100 F C 0.064 176.021 175.800 0.262 0.000 1.090 100 F CA -0.691 57.311 58.000 0.004 0.000 1.272 100 F CB -0.024 38.831 39.000 -0.241 0.000 1.060 100 F HN -0.097 nan 8.300 nan 0.000 0.576 101 Y N 1.726 122.138 120.300 0.187 0.000 2.805 101 Y HA -0.072 4.477 4.550 -0.000 0.000 0.331 101 Y C -0.636 175.329 175.900 0.108 0.000 1.241 101 Y CA -0.615 57.514 58.100 0.047 0.000 1.546 101 Y CB -0.265 38.183 38.460 -0.021 0.000 1.248 101 Y HN 0.140 nan 8.280 nan 0.000 0.559 102 Y N 6.492 126.174 120.300 -1.030 0.000 2.328 102 Y HA 0.264 4.814 4.550 -0.000 0.000 0.336 102 Y C 0.081 175.396 175.900 -0.975 0.000 0.960 102 Y CA -1.567 56.104 58.100 -0.716 0.000 1.134 102 Y CB 1.390 39.655 38.460 -0.326 0.000 1.166 102 Y HN 0.748 nan 8.280 nan 0.000 0.464 103 D N 2.732 122.527 120.400 -1.008 0.000 2.339 103 D HA 0.192 4.832 4.640 -0.000 0.000 0.217 103 D C 0.896 176.753 176.300 -0.737 0.000 1.050 103 D CA 0.525 54.129 54.000 -0.661 0.000 0.856 103 D CB 0.183 40.885 40.800 -0.164 0.000 0.922 103 D HN 0.769 nan 8.370 nan 0.000 0.518 104 G N -0.061 107.813 108.800 -1.543 0.000 2.525 104 G HA2 0.329 4.289 3.960 -0.000 0.000 0.287 104 G HA3 0.329 4.289 3.960 -0.000 0.000 0.287 104 G C -0.353 174.237 174.900 -0.517 0.000 1.350 104 G CA -0.648 43.859 45.100 -0.988 0.000 1.039 104 G HN 0.337 nan 8.290 nan 0.000 0.513 105 E N -1.048 119.055 120.200 -0.162 0.000 2.266 105 E HA 0.542 4.891 4.350 -0.000 0.000 0.277 105 E C -0.749 175.831 176.600 -0.032 0.000 1.018 105 E CA -0.607 55.725 56.400 -0.114 0.000 0.840 105 E CB 1.510 31.160 29.700 -0.084 0.000 1.082 105 E HN 0.247 nan 8.360 nan 0.000 0.395 106 L N 1.791 122.840 121.223 -0.289 0.000 2.303 106 L HA 0.732 5.072 4.340 -0.000 0.000 0.266 106 L C 0.627 177.309 176.870 -0.313 0.000 1.011 106 L CA -0.233 54.442 54.840 -0.276 0.000 0.818 106 L CB 1.841 43.648 42.059 -0.420 0.000 1.326 106 L HN 1.033 nan 8.230 nan 0.000 0.435 107 G N 0.810 109.640 108.800 0.050 0.000 2.416 107 G HA2 0.115 4.075 3.960 -0.000 0.000 0.203 107 G HA3 0.115 4.075 3.960 -0.000 0.000 0.203 107 G C -1.136 173.896 174.900 0.221 0.000 1.227 107 G CA -0.261 44.980 45.100 0.235 0.000 1.041 107 G HN 0.947 nan 8.290 nan 0.000 0.546 108 A N -0.533 122.338 122.820 0.085 0.000 2.253 108 A HA 0.691 5.011 4.320 -0.000 0.000 0.316 108 A C -0.011 177.455 177.584 -0.197 0.000 1.327 108 A CA -0.107 51.787 52.037 -0.237 0.000 0.917 108 A CB 1.154 19.872 19.000 -0.471 0.000 1.162 108 A HN 1.728 nan 8.150 nan 0.000 0.535 109 V N 4.321 124.099 119.914 -0.226 0.000 2.320 109 V HA 0.151 4.271 4.120 -0.000 0.000 0.265 109 V C -0.306 175.687 176.094 -0.168 0.000 1.048 109 V CA -0.271 61.951 62.300 -0.131 0.000 0.865 109 V CB -0.103 31.666 31.823 -0.092 0.000 1.043 109 V HN 0.790 nan 8.190 nan 0.000 0.474 110 Y N 4.394 124.562 120.300 -0.220 0.000 2.301 110 Y HA 0.632 5.182 4.550 -0.000 0.000 0.325 110 Y C 0.394 176.167 175.900 -0.213 0.000 1.203 110 Y CA 0.262 58.229 58.100 -0.221 0.000 1.255 110 Y CB 1.580 39.956 38.460 -0.140 0.000 1.232 110 Y HN 0.594 nan 8.280 nan 0.000 0.501 111 T N 4.065 117.864 114.554 -1.258 0.000 2.894 111 T HA 0.459 4.809 4.350 -0.000 0.000 0.309 111 T C 0.360 174.199 174.700 -1.435 0.000 1.208 111 T CA -0.104 61.370 62.100 -1.042 0.000 1.016 111 T CB 1.569 69.908 68.868 -0.881 0.000 1.192 111 T HN 0.779 nan 8.240 nan 0.000 0.491 112 A N 0.894 123.259 122.820 -0.757 0.000 2.019 112 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 112 A C 1.734 179.152 177.584 -0.277 0.000 1.164 112 A CA 2.257 54.071 52.037 -0.372 0.000 0.644 112 A CB -0.541 18.409 19.000 -0.082 0.000 0.805 112 A HN 0.889 nan 8.150 nan 0.000 0.449 113 D N -1.585 118.632 120.400 -0.304 0.000 2.183 113 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 113 D C 0.674 176.939 176.300 -0.059 0.000 0.962 113 D CA 1.226 55.155 54.000 -0.117 0.000 0.849 113 D CB 0.151 40.956 40.800 0.008 0.000 0.978 113 D HN 0.714 nan 8.370 nan 0.000 0.488 114 H N -3.769 115.151 119.070 -0.249 0.000 2.987 114 H HA 0.364 4.920 4.556 -0.000 0.000 0.316 114 H C -1.511 173.651 175.328 -0.276 0.000 1.380 114 H CA -0.865 55.061 56.048 -0.203 0.000 1.160 114 H CB 0.444 30.123 29.762 -0.139 0.000 1.865 114 H HN -0.197 nan 8.280 nan 0.000 0.521 115 T N 1.679 116.146 114.554 -0.145 0.000 2.861 115 T HA 0.436 4.786 4.350 -0.000 0.000 0.287 115 T C -0.373 174.183 174.700 -0.240 0.000 1.003 115 T CA -0.631 61.285 62.100 -0.307 0.000 0.977 115 T CB 1.866 70.474 68.868 -0.434 0.000 0.996 115 T HN 0.415 nan 8.240 nan 0.000 0.448 116 V N 3.945 123.701 119.914 -0.264 0.000 2.370 116 V HA 0.511 4.631 4.120 -0.000 0.000 0.283 116 V C -0.816 175.128 176.094 -0.249 0.000 1.023 116 V CA -0.770 61.460 62.300 -0.117 0.000 0.857 116 V CB 0.505 32.325 31.823 -0.006 0.000 0.985 116 V HN 0.765 nan 8.190 nan 0.000 0.443 117 F N 3.741 123.761 119.950 0.116 0.000 2.420 117 F HA 0.634 5.161 4.527 -0.000 0.000 0.342 117 F C 0.478 176.371 175.800 0.156 0.000 1.113 117 F CA -0.505 57.618 58.000 0.204 0.000 1.059 117 F CB 1.477 40.687 39.000 0.351 0.000 1.128 117 F HN 0.271 nan 8.300 nan 0.000 0.475 118 K N 2.444 123.034 120.400 0.318 0.000 2.482 118 K HA 0.696 5.016 4.320 -0.000 0.000 0.251 118 K C -1.744 174.903 176.600 0.078 0.000 0.936 118 K CA -0.912 55.452 56.287 0.127 0.000 0.791 118 K CB 3.107 35.656 32.500 0.080 0.000 1.213 118 K HN 0.434 nan 8.250 nan 0.000 0.428 119 V N 3.277 123.151 119.914 -0.065 0.000 2.760 119 V HA 0.446 4.566 4.120 -0.000 0.000 0.309 119 V C -1.860 174.311 176.094 0.128 0.000 1.077 119 V CA -0.699 61.580 62.300 -0.035 0.000 0.910 119 V CB 1.410 32.924 31.823 -0.516 0.000 1.008 119 V HN 0.855 nan 8.190 nan 0.000 0.424 120 W N 7.004 128.340 121.300 0.061 0.000 2.416 120 W HA 0.696 5.356 4.660 -0.000 0.000 0.318 120 W C 0.117 176.677 176.519 0.070 0.000 1.150 120 W CA -0.066 57.306 57.345 0.044 0.000 1.392 120 W CB 1.068 30.593 29.460 0.108 0.000 1.311 120 W HN 0.803 nan 8.180 nan 0.000 0.436 121 A N 9.451 132.096 122.820 -0.292 0.000 3.370 121 A HA 0.280 4.600 4.320 -0.000 0.000 0.295 121 A C -1.531 175.791 177.584 -0.437 0.000 1.030 121 A CA -0.821 51.017 52.037 -0.331 0.000 0.883 121 A CB 0.407 19.310 19.000 -0.162 0.000 1.191 121 A HN 0.477 nan 8.150 nan 0.000 0.507 122 P HA -0.191 nan 4.420 nan 0.000 0.218 122 P C 1.226 178.127 177.300 -0.665 0.000 1.148 122 P CA 1.948 64.401 63.100 -1.077 0.000 0.822 122 P CB 0.289 30.900 31.700 -1.815 0.000 0.784 123 A N -0.806 121.764 122.820 -0.416 0.000 2.218 123 A HA 0.442 4.762 4.320 -0.000 0.000 0.209 123 A C 1.410 178.964 177.584 -0.049 0.000 1.168 123 A CA 0.297 52.256 52.037 -0.131 0.000 0.804 123 A CB -0.706 18.203 19.000 -0.152 0.000 0.834 123 A HN 0.308 nan 8.150 nan 0.000 0.482 124 A N -0.463 122.286 122.820 -0.119 0.000 2.296 124 A HA 0.489 4.809 4.320 -0.000 0.000 0.264 124 A C 1.247 178.789 177.584 -0.071 0.000 1.097 124 A CA 0.583 52.523 52.037 -0.160 0.000 0.811 124 A CB 0.153 18.962 19.000 -0.318 0.000 1.072 124 A HN 0.680 nan 8.150 nan 0.000 0.495 125 T N -2.862 111.590 114.554 -0.170 0.000 3.003 125 T HA 0.487 4.837 4.350 -0.000 0.000 0.261 125 T C 0.272 174.909 174.700 -0.104 0.000 1.003 125 T CA 0.515 62.565 62.100 -0.083 0.000 0.917 125 T CB -0.052 68.745 68.868 -0.119 0.000 1.084 125 T HN 0.619 nan 8.240 nan 0.000 0.522 126 S N -0.306 115.186 115.700 -0.346 0.000 2.578 126 S HA 0.778 5.248 4.470 -0.000 0.000 0.272 126 S C -1.669 172.562 174.600 -0.616 0.000 1.145 126 S CA -0.498 57.501 58.200 -0.335 0.000 0.835 126 S CB 1.680 64.791 63.200 -0.148 0.000 1.104 126 S HN 0.877 nan 8.310 nan 0.000 0.458 127 A N 0.591 123.216 122.820 -0.324 0.000 2.612 127 A HA 1.001 5.321 4.320 -0.000 0.000 0.293 127 A C -1.341 176.326 177.584 0.137 0.000 1.075 127 A CA -0.166 51.753 52.037 -0.197 0.000 0.680 127 A CB 1.277 19.867 19.000 -0.684 0.000 1.279 127 A HN 1.761 nan 8.150 nan 0.000 0.411 128 A N -0.273 122.672 122.820 0.208 0.000 2.606 128 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 128 A C -1.524 176.181 177.584 0.202 0.000 1.082 128 A CA -0.195 51.948 52.037 0.176 0.000 0.685 128 A CB 1.231 20.290 19.000 0.099 0.000 1.284 128 A HN 2.162 nan 8.150 nan 0.000 0.408 129 V N 1.091 121.101 119.914 0.161 0.000 2.459 129 V HA 0.637 4.757 4.120 -0.000 0.000 0.295 129 V C -0.215 175.852 176.094 -0.044 0.000 1.029 129 V CA -0.558 61.819 62.300 0.129 0.000 0.874 129 V CB 1.396 33.173 31.823 -0.076 0.000 0.985 129 V HN 0.859 nan 8.190 nan 0.000 0.438 130 K N 7.056 127.427 120.400 -0.048 0.000 2.316 130 K HA 0.573 4.893 4.320 -0.000 0.000 0.267 130 K C -1.372 175.181 176.600 -0.079 0.000 1.025 130 K CA -0.559 55.669 56.287 -0.099 0.000 0.896 130 K CB 0.887 33.348 32.500 -0.065 0.000 1.124 130 K HN 0.716 nan 8.250 nan 0.000 0.451 131 L N 3.411 124.578 121.223 -0.095 0.000 2.309 131 L HA 0.460 4.800 4.340 -0.000 0.000 0.282 131 L C -0.185 176.746 176.870 0.101 0.000 1.036 131 L CA -0.594 54.278 54.840 0.053 0.000 0.806 131 L CB 1.759 43.864 42.059 0.077 0.000 1.220 131 L HN 0.742 nan 8.230 nan 0.000 0.429 132 S N 0.616 116.410 115.700 0.157 0.000 2.618 132 S HA 0.742 5.211 4.470 -0.000 0.000 0.277 132 S C -1.240 173.386 174.600 0.043 0.000 1.138 132 S CA -0.889 57.359 58.200 0.081 0.000 0.844 132 S CB 2.266 65.472 63.200 0.010 0.000 1.127 132 S HN 0.755 nan 8.310 nan 0.000 0.474 133 H N -0.296 118.675 119.070 -0.165 0.000 3.085 133 H HA 0.509 5.065 4.556 -0.000 0.000 0.356 133 H C -3.241 171.979 175.328 -0.179 0.000 1.178 133 H CA -1.062 54.809 56.048 -0.294 0.000 1.214 133 H CB 1.892 31.245 29.762 -0.682 0.000 1.881 133 H HN 0.500 nan 8.280 nan 0.000 0.538 134 P HA -0.001 nan 4.420 nan 0.000 0.260 134 P C -0.779 176.531 177.300 0.016 0.000 1.185 134 P CA 0.653 63.643 63.100 -0.183 0.000 0.763 134 P CB 0.048 31.588 31.700 -0.267 0.000 0.776 135 N N 0.983 119.688 118.700 0.010 0.000 2.667 135 N HA -0.238 4.502 4.740 -0.000 0.000 0.263 135 N C -0.061 175.488 175.510 0.065 0.000 1.038 135 N CA 0.810 53.879 53.050 0.031 0.000 0.749 135 N CB -0.615 37.885 38.487 0.023 0.000 0.892 135 N HN 0.511 nan 8.380 nan 0.000 0.546 136 K N -0.603 119.830 120.400 0.056 0.000 2.617 136 K HA 0.349 4.669 4.320 -0.000 0.000 0.293 136 K C -1.210 175.409 176.600 0.032 0.000 1.034 136 K CA -0.632 55.673 56.287 0.030 0.000 0.884 136 K CB 1.332 33.810 32.500 -0.036 0.000 1.541 136 K HN 0.018 nan 8.250 nan 0.000 0.409 137 S N 0.447 116.175 115.700 0.046 0.000 2.499 137 S HA 0.346 4.816 4.470 -0.000 0.000 0.275 137 S C 0.007 174.655 174.600 0.080 0.000 1.257 137 S CA -0.543 57.691 58.200 0.057 0.000 1.050 137 S CB 1.102 64.342 63.200 0.066 0.000 0.937 137 S HN 0.622 nan 8.310 nan 0.000 0.490 138 G N 2.809 111.630 108.800 0.034 0.000 2.420 138 G HA2 0.590 4.550 3.960 -0.000 0.000 0.284 138 G HA3 0.590 4.550 3.960 -0.000 0.000 0.284 138 G C -0.453 174.413 174.900 -0.057 0.000 1.177 138 G CA -0.749 44.359 45.100 0.012 0.000 0.841 138 G HN 0.511 nan 8.290 nan 0.000 0.527 139 R N 0.673 121.082 120.500 -0.150 0.000 2.626 139 R HA 0.499 4.839 4.340 -0.000 0.000 0.274 139 R C -1.343 174.598 176.300 -0.597 0.000 1.031 139 R CA -0.704 55.157 56.100 -0.399 0.000 0.898 139 R CB 1.949 31.927 30.300 -0.536 0.000 1.222 139 R HN 0.496 nan 8.270 nan 0.000 0.455 140 T N 3.023 117.207 114.554 -0.617 0.000 2.809 140 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 140 T C -0.625 173.819 174.700 -0.427 0.000 0.992 140 T CA -0.357 61.466 62.100 -0.462 0.000 0.957 140 T CB 0.487 69.209 68.868 -0.243 0.000 0.942 140 T HN 0.272 nan 8.240 nan 0.000 0.439 141 F N 1.793 121.734 119.950 -0.014 0.000 2.469 141 F HA 0.455 4.982 4.527 -0.000 0.000 0.332 141 F C 0.790 176.607 175.800 0.027 0.000 1.103 141 F CA -1.338 56.666 58.000 0.006 0.000 0.979 141 F CB 1.592 40.603 39.000 0.019 0.000 1.137 141 F HN 0.358 nan 8.300 nan 0.000 0.463 142 Q N 3.624 123.570 119.800 0.243 0.000 2.364 142 Q HA 0.286 4.626 4.340 -0.000 0.000 0.267 142 Q C -0.863 175.251 176.000 0.191 0.000 0.999 142 Q CA -0.091 55.822 55.803 0.182 0.000 0.886 142 Q CB 0.872 29.701 28.738 0.151 0.000 1.243 142 Q HN 0.666 nan 8.270 nan 0.000 0.415 143 M N 1.714 121.432 119.600 0.196 0.000 2.528 143 M HA 0.346 4.826 4.480 -0.000 0.000 0.318 143 M C -0.389 176.057 176.300 0.243 0.000 1.195 143 M CA -0.622 54.803 55.300 0.209 0.000 1.000 143 M CB 2.043 34.768 32.600 0.208 0.000 1.615 143 M HN 0.529 nan 8.290 nan 0.000 0.469 144 T N 1.264 115.922 114.554 0.173 0.000 2.829 144 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 144 T C -0.284 174.394 174.700 -0.038 0.000 0.990 144 T CA -0.700 61.458 62.100 0.096 0.000 1.028 144 T CB 1.076 69.962 68.868 0.030 0.000 0.951 144 T HN 0.519 nan 8.240 nan 0.000 0.460 145 R N 3.438 123.813 120.500 -0.208 0.000 2.267 145 R HA 0.463 4.803 4.340 -0.000 0.000 0.319 145 R C -0.469 175.621 176.300 -0.349 0.000 1.067 145 R CA -0.253 55.448 56.100 -0.665 0.000 0.936 145 R CB 0.127 29.990 30.300 -0.727 0.000 1.006 145 R HN 0.587 nan 8.270 nan 0.000 0.452 146 L N 1.722 122.739 121.223 -0.343 0.000 2.693 146 L HA 0.425 4.765 4.340 -0.000 0.000 0.253 146 L C 0.489 177.257 176.870 -0.170 0.000 1.155 146 L CA -1.232 53.491 54.840 -0.195 0.000 1.026 146 L CB 0.379 42.341 42.059 -0.162 0.000 1.817 146 L HN 0.543 nan 8.230 nan 0.000 0.556 147 E N 0.502 120.641 120.200 -0.101 0.000 2.391 147 E HA 0.038 4.388 4.350 -0.000 0.000 0.255 147 E C -0.326 176.256 176.600 -0.031 0.000 1.187 147 E CA -0.213 56.160 56.400 -0.044 0.000 0.941 147 E CB 0.218 29.914 29.700 -0.006 0.000 1.010 147 E HN 0.325 nan 8.360 nan 0.000 0.458 148 K N -0.176 120.264 120.400 0.067 0.000 3.016 148 K HA -0.216 4.104 4.320 -0.000 0.000 0.262 148 K C 0.751 177.512 176.600 0.268 0.000 1.043 148 K CA 0.965 57.378 56.287 0.210 0.000 0.761 148 K CB -2.423 30.208 32.500 0.218 0.000 1.230 148 K HN 1.015 nan 8.250 nan 0.000 0.485 149 G N -1.000 107.874 108.800 0.123 0.000 2.203 149 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.263 149 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.263 149 G C 0.217 174.924 174.900 -0.322 0.000 1.012 149 G CA 0.372 45.322 45.100 -0.249 0.000 0.749 149 G HN 0.289 nan 8.290 nan 0.000 0.512 150 V N 0.251 120.002 119.914 -0.271 0.000 2.465 150 V HA 0.551 4.671 4.120 -0.000 0.000 0.279 150 V C 0.118 176.003 176.094 -0.349 0.000 1.045 150 V CA -0.741 61.396 62.300 -0.271 0.000 0.938 150 V CB 1.041 32.557 31.823 -0.511 0.000 0.986 150 V HN 0.239 nan 8.190 nan 0.000 0.467 151 Y N 2.783 122.987 120.300 -0.160 0.000 2.360 151 Y HA 0.747 5.297 4.550 -0.000 0.000 0.337 151 Y C 0.403 176.248 175.900 -0.092 0.000 1.039 151 Y CA -0.207 57.821 58.100 -0.120 0.000 1.109 151 Y CB 1.959 40.339 38.460 -0.133 0.000 1.201 151 Y HN 0.760 nan 8.280 nan 0.000 0.458 152 A N 1.947 124.820 122.820 0.089 0.000 2.609 152 A HA 0.852 5.172 4.320 -0.000 0.000 0.291 152 A C -1.921 175.744 177.584 0.135 0.000 1.096 152 A CA -0.744 51.354 52.037 0.102 0.000 0.684 152 A CB 1.905 20.931 19.000 0.043 0.000 1.282 152 A HN 0.647 nan 8.150 nan 0.000 0.412 153 V N 0.217 120.244 119.914 0.189 0.000 3.000 153 V HA 0.680 4.800 4.120 -0.000 0.000 0.300 153 V C -1.104 175.116 176.094 0.210 0.000 1.251 153 V CA -0.115 62.291 62.300 0.178 0.000 0.972 153 V CB 2.420 34.371 31.823 0.214 0.000 1.065 153 V HN 1.118 nan 8.190 nan 0.000 0.431 154 T N 5.562 120.177 114.554 0.103 0.000 2.758 154 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 154 T C -0.602 174.130 174.700 0.054 0.000 0.981 154 T CA -0.287 61.861 62.100 0.079 0.000 0.965 154 T CB 1.338 70.190 68.868 -0.026 0.000 0.927 154 T HN 0.567 nan 8.240 nan 0.000 0.448 155 V N 3.613 123.609 119.914 0.136 0.000 2.347 155 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 155 V C 0.824 176.956 176.094 0.063 0.000 1.021 155 V CA -0.756 61.603 62.300 0.097 0.000 0.847 155 V CB 1.457 33.456 31.823 0.293 0.000 0.990 155 V HN 0.930 nan 8.190 nan 0.000 0.444 156 T N 4.051 118.601 114.554 -0.007 0.000 2.919 156 T HA 0.590 4.940 4.350 -0.000 0.000 0.302 156 T C 0.327 175.031 174.700 0.008 0.000 1.031 156 T CA 1.133 63.238 62.100 0.009 0.000 1.127 156 T CB 0.369 69.214 68.868 -0.039 0.000 0.952 156 T HN 1.609 nan 8.240 nan 0.000 0.540 157 G N 3.321 112.129 108.800 0.012 0.000 2.440 157 G HA2 0.011 3.971 3.960 -0.000 0.000 0.684 157 G HA3 0.011 3.971 3.960 -0.000 0.000 0.684 157 G C -1.187 173.705 174.900 -0.013 0.000 1.309 157 G CA -0.647 44.451 45.100 -0.003 0.000 0.931 157 G HN 0.757 nan 8.290 nan 0.000 0.612 158 D N 0.459 120.879 120.400 0.034 0.000 2.365 158 D HA 0.361 5.001 4.640 -0.000 0.000 0.237 158 D C 1.533 177.952 176.300 0.197 0.000 1.190 158 D CA -0.377 53.697 54.000 0.124 0.000 0.867 158 D CB 0.706 41.605 40.800 0.165 0.000 1.050 158 D HN 0.345 nan 8.370 nan 0.000 0.491 159 L N 3.699 125.076 121.223 0.256 0.000 2.629 159 L HA 0.044 4.384 4.340 -0.000 0.000 0.230 159 L C 1.268 178.398 176.870 0.433 0.000 1.151 159 L CA -0.250 54.718 54.840 0.212 0.000 0.924 159 L CB -0.415 41.706 42.059 0.105 0.000 1.137 159 L HN 0.443 nan 8.230 nan 0.000 0.457 160 H N 1.083 120.354 119.070 0.335 0.000 3.070 160 H HA 0.026 4.582 4.556 -0.000 0.000 0.313 160 H C 1.140 176.621 175.328 0.255 0.000 0.997 160 H CA 1.498 57.625 56.048 0.132 0.000 1.438 160 H CB 0.960 30.739 29.762 0.030 0.000 1.455 160 H HN 0.400 nan 8.280 nan 0.000 0.575 161 G N 4.270 112.836 108.800 -0.390 0.000 2.253 161 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 161 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 161 G C -0.118 174.833 174.900 0.085 0.000 0.998 161 G CA 0.212 45.218 45.100 -0.157 0.000 0.621 161 G HN 0.649 nan 8.290 nan 0.000 0.524 162 Y N 2.361 122.764 120.300 0.171 0.000 2.511 162 Y HA 0.441 4.991 4.550 -0.000 0.000 0.332 162 Y C 1.166 177.165 175.900 0.166 0.000 1.177 162 Y CA 0.263 58.509 58.100 0.244 0.000 1.422 162 Y CB 0.519 39.120 38.460 0.235 0.000 1.271 162 Y HN 0.329 nan 8.280 nan 0.000 0.550 163 E N 3.581 123.919 120.200 0.228 0.000 2.277 163 E HA 0.348 4.698 4.350 -0.000 0.000 0.274 163 E C -1.434 175.328 176.600 0.270 0.000 1.022 163 E CA -0.703 55.799 56.400 0.170 0.000 0.853 163 E CB 1.204 30.913 29.700 0.016 0.000 1.086 163 E HN 0.571 nan 8.360 nan 0.000 0.397 164 Y N -0.209 120.072 120.300 -0.032 0.000 2.562 164 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 164 Y C -1.642 174.125 175.900 -0.221 0.000 1.045 164 Y CA -1.289 56.734 58.100 -0.129 0.000 1.028 164 Y CB 1.324 39.691 38.460 -0.156 0.000 1.297 164 Y HN 0.333 nan 8.280 nan 0.000 0.463 165 L N 3.240 124.332 121.223 -0.218 0.000 2.424 165 L HA 0.547 4.887 4.340 -0.000 0.000 0.258 165 L C -1.343 175.453 176.870 -0.124 0.000 0.995 165 L CA -0.795 53.881 54.840 -0.274 0.000 0.821 165 L CB 2.965 44.952 42.059 -0.120 0.000 1.383 165 L HN 0.732 nan 8.230 nan 0.000 0.410 166 F N 0.159 120.127 119.950 0.030 0.000 2.422 166 F HA 0.447 4.974 4.527 -0.000 0.000 0.333 166 F C -0.129 175.723 175.800 0.088 0.000 1.095 166 F CA -0.789 57.258 58.000 0.078 0.000 1.038 166 F CB 1.834 40.906 39.000 0.120 0.000 1.156 166 F HN 0.296 nan 8.300 nan 0.000 0.483 167 C N 4.993 124.501 119.300 0.347 0.000 2.301 167 C HA 0.561 5.021 4.460 -0.000 0.000 0.323 167 C C -0.419 174.805 174.990 0.391 0.000 1.265 167 C CA -0.822 58.409 59.018 0.355 0.000 1.503 167 C CB -0.123 27.782 27.740 0.275 0.000 2.195 167 C HN 0.366 nan 8.230 nan 0.000 0.477 168 I N 2.634 123.345 120.570 0.236 0.000 2.406 168 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 168 I C 0.186 176.113 176.117 -0.318 0.000 0.999 168 I CA -0.468 60.788 61.300 -0.073 0.000 1.124 168 I CB 1.306 39.272 38.000 -0.058 0.000 1.289 168 I HN 0.636 nan 8.210 nan 0.000 0.441 169 C N 7.737 126.552 119.300 -0.808 0.000 2.200 169 C HA 0.426 4.886 4.460 -0.000 0.000 0.328 169 C C -0.042 174.622 174.990 -0.544 0.000 1.148 169 C CA -0.349 58.039 59.018 -1.051 0.000 1.624 169 C CB -1.465 25.176 27.740 -1.833 0.000 2.167 169 C HN 0.658 nan 8.230 nan 0.000 0.484 170 N N 3.795 122.296 118.700 -0.332 0.000 2.392 170 N HA 0.300 5.040 4.740 -0.000 0.000 0.283 170 N C -0.199 175.229 175.510 -0.136 0.000 1.003 170 N CA -0.108 52.831 53.050 -0.185 0.000 0.892 170 N CB 1.040 39.469 38.487 -0.097 0.000 1.193 170 N HN 0.811 nan 8.380 nan 0.000 0.487 171 N N 0.793 119.431 118.700 -0.102 0.000 2.727 171 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 171 N C -0.609 174.846 175.510 -0.091 0.000 1.048 171 N CA 0.569 53.577 53.050 -0.070 0.000 0.714 171 N CB -0.603 37.875 38.487 -0.016 0.000 0.959 171 N HN 0.588 nan 8.380 nan 0.000 0.544 172 S N -1.553 114.060 115.700 -0.144 0.000 3.270 172 S HA -0.272 4.198 4.470 -0.000 0.000 0.293 172 S C 0.042 174.582 174.600 -0.101 0.000 1.278 172 S CA 1.673 59.794 58.200 -0.132 0.000 1.038 172 S CB -0.686 62.474 63.200 -0.068 0.000 1.218 172 S HN 0.751 nan 8.310 nan 0.000 0.659 173 E N -0.526 119.598 120.200 -0.126 0.000 2.176 173 E HA 0.411 4.761 4.350 -0.000 0.000 0.267 173 E C -0.836 175.720 176.600 -0.073 0.000 0.893 173 E CA -0.762 55.621 56.400 -0.029 0.000 0.761 173 E CB 0.875 30.582 29.700 0.012 0.000 1.133 173 E HN 0.348 nan 8.360 nan 0.000 0.409 174 W N 4.831 126.131 121.300 -0.001 0.000 2.316 174 W HA 0.347 5.007 4.660 -0.000 0.000 0.311 174 W C 0.142 176.667 176.519 0.010 0.000 1.217 174 W CA -0.330 57.013 57.345 -0.003 0.000 1.199 174 W CB 0.931 30.387 29.460 -0.007 0.000 1.202 174 W HN 0.293 nan 8.180 nan 0.000 0.528 175 M N 2.284 122.032 119.600 0.246 0.000 2.395 175 M HA 0.230 4.710 4.480 -0.000 0.000 0.307 175 M C -0.496 175.919 176.300 0.192 0.000 1.091 175 M CA -0.833 54.573 55.300 0.176 0.000 0.919 175 M CB 2.369 35.041 32.600 0.119 0.000 1.662 175 M HN 0.392 nan 8.290 nan 0.000 0.440 176 E N 1.281 121.569 120.200 0.146 0.000 2.216 176 E HA 0.526 4.876 4.350 -0.000 0.000 0.279 176 E C -1.275 175.389 176.600 0.107 0.000 0.997 176 E CA -0.091 56.382 56.400 0.122 0.000 0.817 176 E CB 1.615 31.358 29.700 0.072 0.000 1.096 176 E HN 0.640 nan 8.360 nan 0.000 0.393 177 T N 1.993 116.613 114.554 0.110 0.000 2.840 177 T HA 0.291 4.641 4.350 -0.000 0.000 0.317 177 T C -1.291 173.419 174.700 0.016 0.000 1.401 177 T CA -0.605 61.551 62.100 0.093 0.000 1.028 177 T CB 1.261 70.219 68.868 0.151 0.000 1.317 177 T HN 0.200 nan 8.240 nan 0.000 0.495 178 V N 3.273 123.178 119.914 -0.014 0.000 2.732 178 V HA 0.287 4.407 4.120 -0.000 0.000 0.297 178 V C 0.521 176.545 176.094 -0.117 0.000 1.060 178 V CA -0.439 61.757 62.300 -0.174 0.000 1.038 178 V CB 1.320 33.059 31.823 -0.139 0.000 1.003 178 V HN 0.946 nan 8.190 nan 0.000 0.481 179 D N 2.973 123.174 120.400 -0.331 0.000 2.487 179 D HA -0.007 4.633 4.640 -0.000 0.000 0.243 179 D C 1.126 177.509 176.300 0.139 0.000 1.154 179 D CA 0.492 54.481 54.000 -0.018 0.000 0.876 179 D CB 1.027 41.774 40.800 -0.089 0.000 1.161 179 D HN 0.587 nan 8.370 nan 0.000 0.478 180 Q N 2.476 122.438 119.800 0.270 0.000 2.234 180 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 180 Q C 0.616 176.717 176.000 0.168 0.000 0.980 180 Q CA 1.227 57.134 55.803 0.173 0.000 0.869 180 Q CB -0.078 28.728 28.738 0.114 0.000 0.912 180 Q HN 0.669 nan 8.270 nan 0.000 0.436 181 Y N -0.300 120.058 120.300 0.096 0.000 2.583 181 Y HA 0.345 4.895 4.550 -0.000 0.000 0.294 181 Y C 0.311 176.088 175.900 -0.205 0.000 1.170 181 Y CA -0.730 57.153 58.100 -0.362 0.000 1.265 181 Y CB 0.290 38.520 38.460 -0.384 0.000 1.119 181 Y HN -0.036 nan 8.280 nan 0.000 0.522 182 A N 0.764 123.638 122.820 0.090 0.000 2.545 182 A HA 0.053 4.373 4.320 -0.000 0.000 0.253 182 A C 1.002 178.643 177.584 0.094 0.000 1.074 182 A CA 0.035 52.110 52.037 0.063 0.000 0.760 182 A CB 0.185 19.094 19.000 -0.150 0.000 1.005 182 A HN 0.568 nan 8.150 nan 0.000 0.506 183 K N 1.078 121.537 120.400 0.097 0.000 2.374 183 K HA 0.412 4.731 4.320 -0.000 0.000 0.196 183 K C 0.118 176.802 176.600 0.141 0.000 1.023 183 K CA 0.816 57.172 56.287 0.116 0.000 1.103 183 K CB 0.422 32.960 32.500 0.063 0.000 0.848 183 K HN 0.815 nan 8.250 nan 0.000 0.528 184 A N 0.562 123.436 122.820 0.089 0.000 2.594 184 A HA 0.579 4.899 4.320 -0.000 0.000 0.296 184 A C -1.197 176.373 177.584 -0.023 0.000 1.061 184 A CA -0.809 51.260 52.037 0.054 0.000 0.689 184 A CB 1.245 20.273 19.000 0.047 0.000 1.280 184 A HN -0.031 nan 8.150 nan 0.000 0.406 185 V N -1.395 118.487 119.914 -0.053 0.000 3.206 185 V HA 0.942 5.061 4.120 -0.000 0.000 0.305 185 V C 0.128 176.170 176.094 -0.087 0.000 1.257 185 V CA -0.132 62.090 62.300 -0.129 0.000 1.057 185 V CB 1.157 32.847 31.823 -0.222 0.000 1.075 185 V HN 1.679 nan 8.190 nan 0.000 0.443 186 T N -0.811 113.684 114.554 -0.098 0.000 2.788 186 T HA 0.533 4.883 4.350 -0.000 0.000 0.280 186 T C 0.494 175.150 174.700 -0.073 0.000 0.984 186 T CA 0.063 62.120 62.100 -0.071 0.000 0.972 186 T CB 1.413 70.243 68.868 -0.065 0.000 1.039 186 T HN 1.615 nan 8.240 nan 0.000 0.530 187 V N 2.392 122.262 119.914 -0.073 0.000 2.644 187 V HA 0.050 4.170 4.120 -0.000 0.000 0.305 187 V C 0.500 176.541 176.094 -0.088 0.000 1.053 187 V CA 0.582 62.808 62.300 -0.124 0.000 1.186 187 V CB -0.971 30.757 31.823 -0.158 0.000 0.895 187 V HN 1.021 nan 8.190 nan 0.000 0.490 188 N N 3.967 122.599 118.700 -0.113 0.000 2.741 188 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 188 N C 0.901 176.397 175.510 -0.023 0.000 1.112 188 N CA 1.572 54.570 53.050 -0.086 0.000 0.750 188 N CB -1.530 36.919 38.487 -0.062 0.000 1.119 188 N HN 1.779 nan 8.380 nan 0.000 0.561 189 G N 0.097 108.895 108.800 -0.002 0.000 2.390 189 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.299 189 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.299 189 G C 0.896 175.869 174.900 0.123 0.000 1.002 189 G CA 1.004 46.165 45.100 0.101 0.000 0.979 189 G HN 0.706 nan 8.290 nan 0.000 0.513 190 E N -0.718 119.488 120.200 0.010 0.000 2.158 190 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 190 E C 1.187 177.751 176.600 -0.059 0.000 0.982 190 E CA 0.856 57.256 56.400 -0.000 0.000 0.823 190 E CB 0.202 29.894 29.700 -0.013 0.000 0.766 190 E HN 0.630 nan 8.360 nan 0.000 0.468 191 K N -0.298 120.027 120.400 -0.124 0.000 2.512 191 K HA 0.436 4.756 4.320 -0.000 0.000 0.263 191 K C -0.361 176.060 176.600 -0.297 0.000 0.966 191 K CA -0.682 55.486 56.287 -0.200 0.000 0.851 191 K CB 2.121 34.538 32.500 -0.139 0.000 1.395 191 K HN -0.013 nan 8.250 nan 0.000 0.440 192 G N 0.262 108.781 108.800 -0.468 0.000 2.537 192 G HA2 0.527 4.487 3.960 -0.000 0.000 0.273 192 G HA3 0.527 4.487 3.960 -0.000 0.000 0.273 192 G C -0.928 173.875 174.900 -0.162 0.000 1.189 192 G CA -0.396 44.387 45.100 -0.527 0.000 0.881 192 G HN 0.224 nan 8.290 nan 0.000 0.535 193 V N 0.202 120.175 119.914 0.097 0.000 2.686 193 V HA 0.314 4.434 4.120 -0.000 0.000 0.306 193 V C -0.207 176.045 176.094 0.263 0.000 1.065 193 V CA -0.737 61.681 62.300 0.198 0.000 0.894 193 V CB 1.929 33.767 31.823 0.026 0.000 1.004 193 V HN 0.571 nan 8.190 nan 0.000 0.424 194 V N 6.125 126.165 119.914 0.210 0.000 2.461 194 V HA 0.479 4.599 4.120 -0.000 0.000 0.275 194 V C -0.144 175.877 176.094 -0.121 0.000 1.047 194 V CA -0.131 62.195 62.300 0.044 0.000 0.955 194 V CB 1.083 32.938 31.823 0.053 0.000 0.988 194 V HN 0.607 nan 8.190 nan 0.000 0.471 195 L N 5.451 126.562 121.223 -0.186 0.000 2.401 195 L HA 0.637 4.977 4.340 -0.000 0.000 0.266 195 L C 0.235 176.905 176.870 -0.333 0.000 0.991 195 L CA -0.958 53.736 54.840 -0.243 0.000 0.818 195 L CB 2.373 44.364 42.059 -0.113 0.000 1.321 195 L HN 0.738 nan 8.230 nan 0.000 0.413 196 R N 1.394 121.752 120.500 -0.237 0.000 2.679 196 R HA 0.424 4.764 4.340 -0.000 0.000 0.269 196 R C -2.535 173.682 176.300 -0.139 0.000 1.076 196 R CA -1.419 54.389 56.100 -0.488 0.000 1.160 196 R CB -0.405 29.716 30.300 -0.298 0.000 1.054 196 R HN 0.196 nan 8.270 nan 0.000 0.507 197 P HA -0.042 nan 4.420 nan 0.000 0.262 197 P C -0.646 176.628 177.300 -0.044 0.000 1.182 197 P CA 0.239 63.326 63.100 -0.021 0.000 0.761 197 P CB 0.471 32.181 31.700 0.015 0.000 0.795 198 D N 2.210 122.576 120.400 -0.057 0.000 2.363 198 D HA -0.115 4.525 4.640 -0.000 0.000 0.226 198 D C 0.257 176.499 176.300 -0.098 0.000 1.020 198 D CA 0.198 54.154 54.000 -0.073 0.000 0.892 198 D CB -0.406 40.345 40.800 -0.082 0.000 0.900 198 D HN 0.158 nan 8.370 nan 0.000 0.531 199 Q N -1.329 118.418 119.800 -0.088 0.000 2.461 199 Q HA -0.264 4.075 4.340 -0.000 0.000 0.273 199 Q C -0.045 175.861 176.000 -0.157 0.000 1.163 199 Q CA 0.756 56.502 55.803 -0.095 0.000 0.929 199 Q CB -2.437 26.255 28.738 -0.075 0.000 1.334 199 Q HN 0.544 nan 8.270 nan 0.000 0.499 200 M N 1.261 120.725 119.600 -0.227 0.000 2.251 200 M HA 0.069 4.549 4.480 -0.000 0.000 0.343 200 M C -0.244 175.782 176.300 -0.458 0.000 1.245 200 M CA 0.996 56.056 55.300 -0.400 0.000 1.061 200 M CB 0.564 32.821 32.600 -0.573 0.000 1.723 200 M HN -0.098 nan 8.290 nan 0.000 0.449 201 K N 5.448 125.565 120.400 -0.472 0.000 2.358 201 K HA 0.245 4.565 4.320 -0.000 0.000 0.260 201 K C -1.757 174.596 176.600 -0.411 0.000 0.956 201 K CA -0.011 56.074 56.287 -0.336 0.000 0.834 201 K CB 0.780 33.182 32.500 -0.164 0.000 1.102 201 K HN 0.797 nan 8.250 nan 0.000 0.431 202 W N 2.196 123.487 121.300 -0.015 0.000 2.416 202 W HA 0.100 4.760 4.660 -0.000 0.000 0.318 202 W C 1.210 177.737 176.519 0.013 0.000 1.150 202 W CA -0.477 56.873 57.345 0.007 0.000 1.392 202 W CB 0.717 30.190 29.460 0.021 0.000 1.311 202 W HN 0.555 nan 8.180 nan 0.000 0.436 203 T N -0.291 114.367 114.554 0.174 0.000 3.186 203 T HA 0.430 4.780 4.350 -0.000 0.000 0.257 203 T C 0.539 175.307 174.700 0.113 0.000 1.029 203 T CA -0.181 61.982 62.100 0.105 0.000 0.916 203 T CB 0.268 69.159 68.868 0.039 0.000 1.041 203 T HN 0.348 nan 8.240 nan 0.000 0.562 204 A N 2.051 124.977 122.820 0.177 0.000 3.248 204 A HA 0.659 4.979 4.320 -0.000 0.000 0.315 204 A C -2.910 174.728 177.584 0.090 0.000 0.974 204 A CA -1.406 50.711 52.037 0.134 0.000 0.939 204 A CB 0.176 19.290 19.000 0.190 0.000 1.061 204 A HN 0.261 nan 8.150 nan 0.000 0.481 205 P HA 0.228 nan 4.420 nan 0.000 0.264 205 P C -0.682 176.584 177.300 -0.056 0.000 1.193 205 P CA 0.655 63.756 63.100 0.001 0.000 0.763 205 P CB 0.496 32.204 31.700 0.014 0.000 0.810 206 L N 3.683 124.836 121.223 -0.117 0.000 2.365 206 L HA 0.425 4.765 4.340 -0.000 0.000 0.273 206 L C 0.809 177.629 176.870 -0.082 0.000 1.000 206 L CA -1.241 53.523 54.840 -0.128 0.000 0.819 206 L CB 1.736 43.648 42.059 -0.247 0.000 1.284 206 L HN 0.319 nan 8.230 nan 0.000 0.418 207 K N 2.550 122.922 120.400 -0.047 0.000 2.219 207 K HA 0.347 4.667 4.320 -0.000 0.000 0.258 207 K C -2.567 174.032 176.600 -0.002 0.000 1.008 207 K CA -1.354 54.917 56.287 -0.027 0.000 0.928 207 K CB 0.046 32.529 32.500 -0.027 0.000 0.983 207 K HN 0.244 nan 8.250 nan 0.000 0.484 208 P HA -0.056 nan 4.420 nan 0.000 0.265 208 P C -0.426 176.932 177.300 0.097 0.000 1.187 208 P CA -0.068 63.065 63.100 0.054 0.000 0.766 208 P CB 0.220 31.943 31.700 0.038 0.000 0.820 209 F N 2.522 122.478 119.950 0.011 0.000 2.572 209 F HA -0.073 4.454 4.527 -0.000 0.000 0.370 209 F C 2.061 177.888 175.800 0.044 0.000 1.103 209 F CA 0.584 58.609 58.000 0.042 0.000 1.286 209 F CB 0.733 39.801 39.000 0.113 0.000 1.105 209 F HN 0.434 nan 8.300 nan 0.000 0.583 210 S N 3.490 118.833 115.700 -0.595 0.000 2.359 210 S HA -0.231 4.239 4.470 -0.000 0.000 0.222 210 S C 0.267 174.808 174.600 -0.098 0.000 1.038 210 S CA 1.666 59.661 58.200 -0.343 0.000 1.051 210 S CB -0.533 62.418 63.200 -0.415 0.000 0.944 210 S HN 0.878 nan 8.310 nan 0.000 0.433 211 H N -0.402 118.526 119.070 -0.237 0.000 3.094 211 H HA 0.364 4.920 4.556 -0.000 0.000 0.335 211 H C -2.779 172.664 175.328 0.192 0.000 1.254 211 H CA -1.118 54.937 56.048 0.012 0.000 1.240 211 H CB 1.365 31.109 29.762 -0.029 0.000 1.936 211 H HN -0.167 nan 8.280 nan 0.000 0.536 212 P HA -0.201 nan 4.420 nan 0.000 0.216 212 P C 1.387 178.798 177.300 0.186 0.000 1.153 212 P CA 2.250 65.370 63.100 0.032 0.000 0.858 212 P CB 0.065 31.668 31.700 -0.161 0.000 0.789 213 V N -3.298 116.830 119.914 0.357 0.000 3.241 213 V HA -0.113 4.007 4.120 -0.000 0.000 0.269 213 V C 1.057 177.287 176.094 0.226 0.000 1.151 213 V CA 1.879 64.337 62.300 0.262 0.000 1.158 213 V CB -1.360 30.610 31.823 0.245 0.000 0.764 213 V HN -0.016 nan 8.190 nan 0.000 0.508 214 D N 1.154 121.727 120.400 0.287 0.000 2.339 214 D HA 0.390 5.030 4.640 -0.000 0.000 0.217 214 D C 0.977 177.546 176.300 0.449 0.000 1.050 214 D CA 0.901 55.046 54.000 0.243 0.000 0.856 214 D CB 0.534 41.347 40.800 0.022 0.000 0.922 214 D HN 0.699 nan 8.370 nan 0.000 0.518 215 A N 0.163 123.231 122.820 0.413 0.000 2.282 215 A HA 0.584 4.904 4.320 -0.000 0.000 0.319 215 A C -0.297 177.342 177.584 0.091 0.000 1.121 215 A CA -0.422 51.743 52.037 0.214 0.000 0.836 215 A CB 1.324 20.174 19.000 -0.251 0.000 1.146 215 A HN -0.043 nan 8.150 nan 0.000 0.494 216 V N 3.021 122.979 119.914 0.074 0.000 2.419 216 V HA 0.272 4.392 4.120 -0.000 0.000 0.287 216 V C -0.486 175.621 176.094 0.022 0.000 1.017 216 V CA -0.036 62.286 62.300 0.038 0.000 0.844 216 V CB 0.907 32.746 31.823 0.027 0.000 1.011 216 V HN 0.721 nan 8.190 nan 0.000 0.429 217 I N 4.555 125.115 120.570 -0.016 0.000 2.395 217 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 217 I C -0.763 175.261 176.117 -0.155 0.000 1.023 217 I CA -0.440 60.827 61.300 -0.054 0.000 1.350 217 I CB 0.933 38.922 38.000 -0.018 0.000 1.409 217 I HN 0.613 nan 8.210 nan 0.000 0.507 218 Y N 5.995 126.137 120.300 -0.264 0.000 2.447 218 Y HA 0.263 4.813 4.550 -0.000 0.000 0.325 218 Y C 0.031 175.770 175.900 -0.268 0.000 0.976 218 Y CA -0.684 57.249 58.100 -0.278 0.000 1.280 218 Y CB 0.920 39.293 38.460 -0.145 0.000 1.104 218 Y HN 0.548 nan 8.280 nan 0.000 0.486 219 E N 4.195 124.027 120.200 -0.614 0.000 2.223 219 E HA 0.236 4.586 4.350 -0.000 0.000 0.282 219 E C -0.931 175.460 176.600 -0.347 0.000 1.046 219 E CA 0.151 56.346 56.400 -0.342 0.000 0.857 219 E CB 1.000 30.631 29.700 -0.114 0.000 1.055 219 E HN 0.625 nan 8.360 nan 0.000 0.409 220 T N 3.086 117.521 114.554 -0.199 0.000 2.894 220 T HA 0.223 4.573 4.350 -0.000 0.000 0.309 220 T C -1.780 172.902 174.700 -0.029 0.000 1.208 220 T CA -0.656 61.372 62.100 -0.120 0.000 1.016 220 T CB 1.021 69.832 68.868 -0.095 0.000 1.192 220 T HN 0.588 nan 8.240 nan 0.000 0.491 221 H N 3.060 122.114 119.070 -0.027 0.000 2.459 221 H HA 0.524 5.080 4.556 -0.000 0.000 0.332 221 H C 1.208 176.518 175.328 -0.030 0.000 1.094 221 H CA -0.690 55.341 56.048 -0.029 0.000 1.224 221 H CB 0.883 30.718 29.762 0.121 0.000 1.449 221 H HN 0.530 nan 8.280 nan 0.000 0.484 222 L N 3.384 124.302 121.223 -0.508 0.000 2.187 222 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 222 L C 2.522 179.298 176.870 -0.155 0.000 1.100 222 L CA 1.370 55.926 54.840 -0.473 0.000 0.765 222 L CB -0.201 41.217 42.059 -1.068 0.000 0.904 222 L HN 0.672 nan 8.230 nan 0.000 0.437 223 R N 0.152 120.704 120.500 0.087 0.000 2.055 223 R HA -0.123 4.217 4.340 -0.000 0.000 0.226 223 R C 1.906 178.470 176.300 0.439 0.000 1.135 223 R CA 1.456 57.792 56.100 0.393 0.000 0.959 223 R CB -0.023 30.655 30.300 0.629 0.000 0.854 223 R HN 0.203 nan 8.270 nan 0.000 0.431 224 D N 0.402 121.135 120.400 0.555 0.000 2.116 224 D HA -0.224 4.416 4.640 -0.000 0.000 0.193 224 D C 1.566 178.060 176.300 0.324 0.000 0.998 224 D CA 1.264 55.490 54.000 0.378 0.000 0.836 224 D CB -0.476 40.522 40.800 0.330 0.000 0.951 224 D HN 0.190 nan 8.370 nan 0.000 0.449 225 F N 1.154 121.235 119.950 0.218 0.000 2.147 225 F HA -0.251 4.276 4.527 -0.000 0.000 0.301 225 F C 1.975 178.038 175.800 0.439 0.000 1.084 225 F CA 1.956 60.116 58.000 0.266 0.000 1.268 225 F CB 0.121 39.241 39.000 0.199 0.000 1.009 225 F HN 0.041 nan 8.300 nan 0.000 0.486 226 S N -2.155 113.739 115.700 0.323 0.000 2.787 226 S HA 0.122 4.592 4.470 -0.000 0.000 0.255 226 S C 1.332 176.052 174.600 0.200 0.000 1.051 226 S CA 0.049 58.374 58.200 0.209 0.000 1.124 226 S CB -0.711 62.607 63.200 0.197 0.000 1.104 226 S HN 0.215 nan 8.310 nan 0.000 0.623 227 I N 2.976 123.689 120.570 0.238 0.000 2.454 227 I HA -0.013 4.157 4.170 -0.000 0.000 0.254 227 I C 1.034 177.259 176.117 0.179 0.000 1.156 227 I CA 0.863 62.278 61.300 0.192 0.000 1.433 227 I CB -0.492 37.632 38.000 0.206 0.000 1.082 227 I HN 0.468 nan 8.210 nan 0.000 0.432 228 H N 1.918 121.081 119.070 0.154 0.000 2.972 228 H HA -0.073 4.483 4.556 -0.000 0.000 0.343 228 H C 1.355 176.731 175.328 0.080 0.000 1.054 228 H CA 1.039 57.170 56.048 0.140 0.000 1.412 228 H CB 0.782 30.696 29.762 0.252 0.000 1.385 228 H HN 0.510 nan 8.280 nan 0.000 0.600 229 E N 2.671 122.738 120.200 -0.223 0.000 2.160 229 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 229 E C 0.985 177.615 176.600 0.049 0.000 0.991 229 E CA 1.404 57.748 56.400 -0.094 0.000 0.810 229 E CB -0.097 29.500 29.700 -0.172 0.000 0.742 229 E HN 0.641 nan 8.360 nan 0.000 0.466 230 N N 0.657 119.544 118.700 0.311 0.000 2.276 230 N HA 0.005 4.745 4.740 -0.000 0.000 0.212 230 N C 1.183 176.708 175.510 0.024 0.000 1.127 230 N CA 0.458 53.634 53.050 0.209 0.000 0.834 230 N CB 0.271 38.919 38.487 0.269 0.000 1.014 230 N HN 0.253 nan 8.380 nan 0.000 0.491 231 S N -0.578 115.090 115.700 -0.053 0.000 2.447 231 S HA 0.014 4.484 4.470 -0.000 0.000 0.233 231 S C 1.633 175.829 174.600 -0.673 0.000 1.006 231 S CA 1.194 58.997 58.200 -0.662 0.000 0.957 231 S CB -0.365 62.608 63.200 -0.379 0.000 0.773 231 S HN 0.440 nan 8.310 nan 0.000 0.507 232 G N 0.581 109.183 108.800 -0.330 0.000 2.179 232 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 232 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 232 G C -0.017 174.758 174.900 -0.209 0.000 0.977 232 G CA 0.579 45.521 45.100 -0.264 0.000 0.641 232 G HN 0.563 nan 8.290 nan 0.000 0.533 233 M N -0.166 119.314 119.600 -0.200 0.000 2.404 233 M HA 0.568 5.048 4.480 -0.000 0.000 0.338 233 M C 1.605 177.872 176.300 -0.055 0.000 1.150 233 M CA -0.735 54.498 55.300 -0.111 0.000 1.016 233 M CB 1.526 34.073 32.600 -0.087 0.000 1.672 233 M HN 0.001 nan 8.290 nan 0.000 0.448 234 I N 1.018 121.571 120.570 -0.028 0.000 2.277 234 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 234 I C 0.923 177.046 176.117 0.010 0.000 1.094 234 I CA 0.833 62.127 61.300 -0.010 0.000 1.393 234 I CB -0.128 37.869 38.000 -0.005 0.000 1.078 234 I HN 0.664 nan 8.210 nan 0.000 0.417 235 N N 3.369 122.083 118.700 0.024 0.000 3.254 235 N HA 0.050 4.790 4.740 -0.000 0.000 0.308 235 N C -0.531 175.013 175.510 0.056 0.000 1.281 235 N CA 0.189 53.264 53.050 0.042 0.000 1.212 235 N CB -0.019 38.500 38.487 0.053 0.000 1.478 235 N HN 0.330 nan 8.380 nan 0.000 0.548 236 K N 0.047 120.478 120.400 0.051 0.000 2.430 236 K HA 0.008 4.328 4.320 -0.000 0.000 0.280 236 K C 1.115 177.773 176.600 0.097 0.000 1.063 236 K CA 0.307 56.638 56.287 0.073 0.000 1.071 236 K CB 0.226 32.762 32.500 0.060 0.000 0.899 236 K HN 0.498 nan 8.250 nan 0.000 0.473 237 G N 2.501 111.378 108.800 0.128 0.000 2.153 237 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.252 237 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.252 237 G C -0.225 174.726 174.900 0.086 0.000 0.994 237 G CA 0.158 45.342 45.100 0.140 0.000 0.698 237 G HN 0.461 nan 8.290 nan 0.000 0.521 238 K N -1.371 119.054 120.400 0.042 0.000 2.350 238 K HA 0.506 4.826 4.320 -0.000 0.000 0.241 238 K C 0.911 177.503 176.600 -0.013 0.000 0.994 238 K CA -1.053 55.227 56.287 -0.012 0.000 0.839 238 K CB 0.826 33.350 32.500 0.041 0.000 1.244 238 K HN 0.043 nan 8.250 nan 0.000 0.443 239 Y N 0.557 120.890 120.300 0.055 0.000 2.139 239 Y HA -0.249 4.301 4.550 -0.000 0.000 0.282 239 Y C 2.079 177.986 175.900 0.012 0.000 1.179 239 Y CA 1.146 59.253 58.100 0.012 0.000 1.161 239 Y CB -0.254 38.236 38.460 0.050 0.000 0.970 239 Y HN 0.326 nan 8.280 nan 0.000 0.511 240 L N -0.685 120.657 121.223 0.198 0.000 2.362 240 L HA -0.201 4.138 4.340 -0.000 0.000 0.219 240 L C 2.650 179.571 176.870 0.084 0.000 1.134 240 L CA 0.490 55.400 54.840 0.117 0.000 0.807 240 L CB -0.743 41.373 42.059 0.095 0.000 0.927 240 L HN 0.270 nan 8.230 nan 0.000 0.447 241 A N 0.334 123.210 122.820 0.094 0.000 1.892 241 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 241 A C 2.033 179.681 177.584 0.106 0.000 1.188 241 A CA 1.454 53.553 52.037 0.103 0.000 0.631 241 A CB -0.595 18.500 19.000 0.157 0.000 0.822 241 A HN 0.291 nan 8.150 nan 0.000 0.447 242 L N 0.872 122.147 121.223 0.087 0.000 2.633 242 L HA -0.073 4.267 4.340 -0.000 0.000 0.235 242 L C 2.435 179.301 176.870 -0.005 0.000 1.163 242 L CA 2.116 56.975 54.840 0.032 0.000 0.859 242 L CB -1.629 40.385 42.059 -0.075 0.000 0.973 242 L HN 0.760 nan 8.230 nan 0.000 0.451 243 T N -4.519 110.044 114.554 0.013 0.000 3.057 243 T HA 0.026 4.376 4.350 -0.000 0.000 0.254 243 T C 0.733 175.425 174.700 -0.012 0.000 1.094 243 T CA -0.268 61.833 62.100 0.002 0.000 1.088 243 T CB -0.075 68.808 68.868 0.025 0.000 0.934 243 T HN 0.255 nan 8.240 nan 0.000 0.497 244 E N 3.571 123.768 120.200 -0.005 0.000 2.265 244 E HA 0.232 4.582 4.350 -0.000 0.000 0.272 244 E C 0.174 176.747 176.600 -0.044 0.000 1.067 244 E CA -0.286 56.105 56.400 -0.015 0.000 0.900 244 E CB 0.573 30.266 29.700 -0.011 0.000 1.017 244 E HN 0.547 nan 8.360 nan 0.000 0.431 245 T N 0.657 115.189 114.554 -0.038 0.000 2.913 245 T HA 0.081 4.431 4.350 -0.000 0.000 0.287 245 T C 0.302 174.987 174.700 -0.025 0.000 1.008 245 T CA -0.966 61.107 62.100 -0.045 0.000 1.067 245 T CB 0.815 69.695 68.868 0.020 0.000 0.996 245 T HN 0.459 nan 8.240 nan 0.000 0.513 246 D N 0.585 120.972 120.400 -0.020 0.000 2.737 246 D HA -0.160 4.480 4.640 -0.000 0.000 0.233 246 D C 0.511 176.788 176.300 -0.037 0.000 1.155 246 D CA 1.464 55.456 54.000 -0.013 0.000 0.667 246 D CB -1.729 39.072 40.800 0.002 0.000 1.060 246 D HN 0.999 nan 8.370 nan 0.000 0.427 247 T N -1.792 112.724 114.554 -0.064 0.000 2.882 247 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 247 T C 0.327 174.946 174.700 -0.135 0.000 1.014 247 T CA -0.592 61.442 62.100 -0.110 0.000 1.049 247 T CB 2.580 71.353 68.868 -0.158 0.000 1.001 247 T HN 0.382 nan 8.240 nan 0.000 0.525 248 Q N -0.122 119.581 119.800 -0.160 0.000 2.534 248 Q HA 0.535 4.875 4.340 -0.000 0.000 0.290 248 Q C -0.605 175.281 176.000 -0.191 0.000 0.991 248 Q CA -1.179 54.531 55.803 -0.155 0.000 0.783 248 Q CB 1.251 29.942 28.738 -0.079 0.000 1.470 248 Q HN 0.812 nan 8.270 nan 0.000 0.406 249 T N -1.833 112.616 114.554 -0.174 0.000 2.698 249 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 249 T C 1.332 175.979 174.700 -0.088 0.000 1.007 249 T CA 0.073 62.085 62.100 -0.147 0.000 0.980 249 T CB 0.632 69.443 68.868 -0.096 0.000 1.036 249 T HN 0.790 nan 8.240 nan 0.000 0.526 250 A N 1.522 124.305 122.820 -0.061 0.000 1.940 250 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 250 A C 2.207 179.767 177.584 -0.039 0.000 1.176 250 A CA 1.792 53.803 52.037 -0.044 0.000 0.631 250 A CB -1.151 17.833 19.000 -0.027 0.000 0.814 250 A HN 0.973 nan 8.150 nan 0.000 0.446 251 N N -0.636 118.040 118.700 -0.040 0.000 2.521 251 N HA 0.151 4.891 4.740 -0.000 0.000 0.188 251 N C 1.006 176.497 175.510 -0.032 0.000 1.146 251 N CA 1.452 54.480 53.050 -0.036 0.000 0.893 251 N CB -0.263 38.199 38.487 -0.042 0.000 0.975 251 N HN 0.868 nan 8.380 nan 0.000 0.451 252 G N -0.789 107.989 108.800 -0.036 0.000 2.176 252 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 252 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 252 G C -0.207 174.682 174.900 -0.018 0.000 0.986 252 G CA 0.197 45.280 45.100 -0.029 0.000 0.643 252 G HN 0.439 nan 8.290 nan 0.000 0.522 253 S N 1.065 116.755 115.700 -0.017 0.000 2.564 253 S HA 0.541 5.011 4.470 -0.000 0.000 0.278 253 S C 0.982 175.593 174.600 0.019 0.000 1.333 253 S CA 0.258 58.468 58.200 0.018 0.000 1.048 253 S CB 1.269 64.484 63.200 0.024 0.000 0.900 253 S HN 1.501 nan 8.310 nan 0.000 0.505 254 S N 2.421 118.174 115.700 0.089 0.000 2.558 254 S HA 0.394 4.864 4.470 -0.000 0.000 0.288 254 S C 0.229 174.881 174.600 0.086 0.000 1.318 254 S CA -0.552 57.711 58.200 0.105 0.000 1.056 254 S CB 0.316 63.628 63.200 0.186 0.000 0.853 254 S HN 0.845 nan 8.310 nan 0.000 0.505 255 S N 1.728 117.363 115.700 -0.109 0.000 2.720 255 S HA 0.892 5.362 4.470 -0.000 0.000 0.287 255 S C 0.691 175.110 174.600 -0.303 0.000 1.168 255 S CA -0.321 57.532 58.200 -0.579 0.000 0.832 255 S CB 0.662 63.200 63.200 -1.103 0.000 1.166 255 S HN 2.261 nan 8.310 nan 0.000 0.493 256 G N 0.991 109.499 108.800 -0.487 0.000 2.602 256 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.306 256 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.306 256 G C 0.794 175.957 174.900 0.439 0.000 1.301 256 G CA 0.448 45.646 45.100 0.164 0.000 0.974 256 G HN 1.419 nan 8.290 nan 0.000 0.547 257 L N 0.311 121.675 121.223 0.234 0.000 1.990 257 L HA -0.103 4.237 4.340 -0.000 0.000 0.213 257 L C 3.412 180.311 176.870 0.050 0.000 1.072 257 L CA 3.074 57.958 54.840 0.073 0.000 0.755 257 L CB -0.956 41.040 42.059 -0.106 0.000 0.889 257 L HN 0.950 nan 8.230 nan 0.000 0.432 258 A N -1.056 121.784 122.820 0.034 0.000 1.908 258 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 258 A C 2.096 179.742 177.584 0.103 0.000 1.181 258 A CA 1.969 54.030 52.037 0.041 0.000 0.627 258 A CB -1.080 17.938 19.000 0.030 0.000 0.818 258 A HN 0.666 nan 8.150 nan 0.000 0.445 259 Y N 0.593 120.928 120.300 0.058 0.000 2.114 259 Y HA -0.185 4.365 4.550 -0.000 0.000 0.284 259 Y C 2.379 178.319 175.900 0.067 0.000 1.143 259 Y CA 2.073 60.242 58.100 0.115 0.000 1.135 259 Y CB -0.485 38.138 38.460 0.272 0.000 0.980 259 Y HN 0.055 nan 8.280 nan 0.000 0.499 260 V N 0.903 120.909 119.914 0.154 0.000 2.332 260 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 260 V C 2.367 178.348 176.094 -0.188 0.000 1.055 260 V CA 2.341 64.573 62.300 -0.113 0.000 1.038 260 V CB -0.809 31.021 31.823 0.012 0.000 0.651 260 V HN 0.295 nan 8.190 nan 0.000 0.450 261 K N 0.848 121.197 120.400 -0.084 0.000 2.057 261 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 261 K C 2.132 178.668 176.600 -0.107 0.000 1.049 261 K CA 2.039 58.285 56.287 -0.068 0.000 0.931 261 K CB -0.440 32.059 32.500 -0.001 0.000 0.714 261 K HN 0.547 nan 8.250 nan 0.000 0.440 262 E N 0.000 120.126 120.200 -0.124 0.000 2.110 262 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 262 E C 1.914 178.380 176.600 -0.223 0.000 0.988 262 E CA 1.138 57.454 56.400 -0.141 0.000 0.804 262 E CB -0.112 29.522 29.700 -0.110 0.000 0.745 262 E HN 0.335 nan 8.360 nan 0.000 0.458 263 L N -0.675 120.335 121.223 -0.355 0.000 2.127 263 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 263 L C 1.755 178.470 176.870 -0.260 0.000 1.089 263 L CA 1.133 55.745 54.840 -0.379 0.000 0.757 263 L CB -0.259 41.475 42.059 -0.541 0.000 0.899 263 L HN 0.569 nan 8.230 nan 0.000 0.434 264 G N -0.404 108.270 108.800 -0.210 0.000 2.159 264 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 264 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 264 G C 0.327 175.158 174.900 -0.115 0.000 0.986 264 G CA 0.085 45.100 45.100 -0.143 0.000 0.651 264 G HN 0.268 nan 8.290 nan 0.000 0.523 265 V N -0.450 119.369 119.914 -0.158 0.000 2.963 265 V HA 0.712 4.832 4.120 -0.000 0.000 0.306 265 V C 1.426 177.492 176.094 -0.046 0.000 1.077 265 V CA 1.413 63.650 62.300 -0.105 0.000 1.124 265 V CB 1.181 32.901 31.823 -0.172 0.000 0.987 265 V HN 1.021 nan 8.190 nan 0.000 0.487 266 T N 0.287 114.854 114.554 0.022 0.000 3.034 266 T HA 0.251 4.601 4.350 -0.000 0.000 0.248 266 T C 0.471 175.094 174.700 -0.129 0.000 1.040 266 T CA 0.507 62.621 62.100 0.024 0.000 1.107 266 T CB -0.286 68.696 68.868 0.191 0.000 0.932 266 T HN 0.839 nan 8.240 nan 0.000 0.474 267 H N 0.069 119.065 119.070 -0.124 0.000 2.589 267 H HA 0.689 5.245 4.556 -0.000 0.000 0.351 267 H C -1.262 174.030 175.328 -0.060 0.000 1.074 267 H CA -0.750 55.224 56.048 -0.124 0.000 1.203 267 H CB 2.053 31.711 29.762 -0.174 0.000 1.558 267 H HN 0.029 nan 8.280 nan 0.000 0.522 268 V N 2.895 122.825 119.914 0.027 0.000 2.350 268 V HA 0.149 4.269 4.120 -0.000 0.000 0.276 268 V C 0.262 176.343 176.094 -0.020 0.000 1.028 268 V CA -0.654 61.655 62.300 0.015 0.000 0.860 268 V CB 1.082 32.877 31.823 -0.048 0.000 0.990 268 V HN 0.752 nan 8.190 nan 0.000 0.453 269 E N 5.353 125.543 120.200 -0.017 0.000 2.167 269 E HA 0.505 4.855 4.350 -0.000 0.000 0.284 269 E C -1.189 175.356 176.600 -0.092 0.000 1.016 269 E CA -0.545 55.840 56.400 -0.024 0.000 0.817 269 E CB 0.956 30.715 29.700 0.099 0.000 1.080 269 E HN 0.613 nan 8.360 nan 0.000 0.397 270 L N 4.689 125.825 121.223 -0.145 0.000 2.309 270 L HA 0.338 4.678 4.340 -0.000 0.000 0.282 270 L C -0.118 176.622 176.870 -0.217 0.000 1.036 270 L CA -1.083 53.643 54.840 -0.191 0.000 0.806 270 L CB 0.924 42.853 42.059 -0.217 0.000 1.220 270 L HN 0.514 nan 8.230 nan 0.000 0.429 271 L N 3.911 124.989 121.223 -0.241 0.000 2.476 271 L HA 0.195 4.535 4.340 -0.000 0.000 0.264 271 L C -1.919 174.752 176.870 -0.331 0.000 1.224 271 L CA -0.875 53.775 54.840 -0.316 0.000 0.821 271 L CB -0.395 41.502 42.059 -0.270 0.000 1.101 271 L HN 0.368 nan 8.230 nan 0.000 0.488 272 P HA -0.143 nan 4.420 nan 0.000 0.255 272 P C 0.264 177.544 177.300 -0.033 0.000 1.141 272 P CA 0.654 63.566 63.100 -0.314 0.000 0.767 272 P CB 0.045 31.457 31.700 -0.481 0.000 0.726 273 V N 0.652 120.512 119.914 -0.091 0.000 3.528 273 V HA 0.139 4.259 4.120 -0.000 0.000 0.294 273 V C 0.664 176.773 176.094 0.026 0.000 1.404 273 V CA -0.020 62.327 62.300 0.078 0.000 1.065 273 V CB -0.995 30.837 31.823 0.016 0.000 0.904 273 V HN 0.428 nan 8.190 nan 0.000 0.435 274 N N 0.463 119.109 118.700 -0.090 0.000 2.424 274 N HA 0.177 4.917 4.740 -0.000 0.000 0.257 274 N C -0.346 175.158 175.510 -0.009 0.000 1.250 274 N CA -0.385 52.670 53.050 0.008 0.000 0.946 274 N CB 0.308 38.763 38.487 -0.053 0.000 1.175 274 N HN 0.195 nan 8.380 nan 0.000 0.477 275 D N -0.420 119.970 120.400 -0.017 0.000 2.450 275 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 275 D C -1.021 175.144 176.300 -0.225 0.000 1.162 275 D CA 0.043 53.931 54.000 -0.187 0.000 0.879 275 D CB -0.119 40.676 40.800 -0.008 0.000 1.163 275 D HN 0.476 nan 8.370 nan 0.000 0.472 276 F N 1.061 120.875 119.950 -0.227 0.000 2.640 276 F HA 0.833 5.360 4.527 -0.000 0.000 0.324 276 F C -0.529 175.090 175.800 -0.301 0.000 1.077 276 F CA -1.531 56.299 58.000 -0.284 0.000 0.965 276 F CB 0.776 39.616 39.000 -0.267 0.000 1.351 276 F HN 0.276 nan 8.300 nan 0.000 0.487 277 A N 0.072 122.854 122.820 -0.064 0.000 2.282 277 A HA 0.748 5.068 4.320 -0.000 0.000 0.319 277 A C 0.768 178.281 177.584 -0.118 0.000 1.121 277 A CA -0.119 51.760 52.037 -0.264 0.000 0.836 277 A CB 0.396 18.916 19.000 -0.799 0.000 1.146 277 A HN 2.087 nan 8.150 nan 0.000 0.494 278 G N -1.008 107.730 108.800 -0.103 0.000 2.624 278 G HA2 0.026 3.986 3.960 -0.000 0.000 0.190 278 G HA3 0.026 3.986 3.960 -0.000 0.000 0.190 278 G C -0.239 174.662 174.900 0.003 0.000 1.008 278 G CA 0.222 45.301 45.100 -0.035 0.000 0.731 278 G HN 1.496 nan 8.290 nan 0.000 0.478 279 V N 1.786 121.701 119.914 0.002 0.000 2.577 279 V HA 0.534 4.654 4.120 -0.000 0.000 0.303 279 V C -1.026 175.016 176.094 -0.086 0.000 1.042 279 V CA -0.887 61.392 62.300 -0.035 0.000 0.872 279 V CB 1.887 33.684 31.823 -0.043 0.000 0.998 279 V HN 0.291 nan 8.190 nan 0.000 0.423 280 D N 3.373 123.736 120.400 -0.061 0.000 2.338 280 D HA 0.107 4.746 4.640 -0.000 0.000 0.255 280 D C 1.148 177.393 176.300 -0.092 0.000 1.237 280 D CA 0.142 54.102 54.000 -0.066 0.000 0.883 280 D CB 1.170 41.950 40.800 -0.033 0.000 1.087 280 D HN 0.663 nan 8.370 nan 0.000 0.485 281 E N 2.335 122.453 120.200 -0.137 0.000 2.333 281 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 281 E C 1.035 177.555 176.600 -0.135 0.000 1.007 281 E CA 0.648 56.944 56.400 -0.174 0.000 0.845 281 E CB 0.395 29.956 29.700 -0.232 0.000 0.766 281 E HN 0.534 nan 8.360 nan 0.000 0.507 282 E N 0.560 120.714 120.200 -0.077 0.000 2.230 282 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 282 E C 0.264 176.865 176.600 0.002 0.000 0.987 282 E CA 0.772 57.167 56.400 -0.009 0.000 0.841 282 E CB 0.285 30.001 29.700 0.027 0.000 0.783 282 E HN 0.173 nan 8.360 nan 0.000 0.481 283 K N 0.813 121.204 120.400 -0.016 0.000 3.098 283 K HA 0.183 4.503 4.320 -0.000 0.000 0.170 283 K C -2.206 174.386 176.600 -0.012 0.000 1.106 283 K CA -1.052 55.232 56.287 -0.005 0.000 0.864 283 K CB 1.736 34.237 32.500 0.001 0.000 1.047 283 K HN -0.156 nan 8.250 nan 0.000 0.609 284 P HA -0.188 nan 4.420 nan 0.000 0.219 284 P C 0.971 178.283 177.300 0.020 0.000 1.146 284 P CA 1.098 64.185 63.100 -0.021 0.000 0.808 284 P CB 0.287 31.965 31.700 -0.036 0.000 0.779 285 L N -0.501 120.739 121.223 0.028 0.000 2.395 285 L HA -0.023 4.317 4.340 -0.000 0.000 0.218 285 L C 1.736 178.630 176.870 0.040 0.000 1.130 285 L CA 0.908 55.775 54.840 0.045 0.000 0.826 285 L CB -0.833 41.247 42.059 0.035 0.000 0.941 285 L HN -0.124 nan 8.230 nan 0.000 0.451 286 D N 0.489 120.905 120.400 0.026 0.000 2.371 286 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 286 D C 0.682 176.998 176.300 0.025 0.000 0.986 286 D CA 0.586 54.598 54.000 0.020 0.000 0.899 286 D CB 0.329 41.135 40.800 0.011 0.000 0.902 286 D HN 0.319 nan 8.370 nan 0.000 0.530 287 A N -0.630 122.215 122.820 0.041 0.000 2.610 287 A HA 0.548 4.868 4.320 -0.000 0.000 0.291 287 A C -1.935 175.714 177.584 0.109 0.000 1.086 287 A CA -0.787 51.281 52.037 0.052 0.000 0.677 287 A CB 1.356 20.369 19.000 0.021 0.000 1.278 287 A HN 0.016 nan 8.150 nan 0.000 0.414 288 Y N 1.656 121.935 120.300 -0.035 0.000 2.545 288 Y HA 0.778 5.328 4.550 -0.000 0.000 0.348 288 Y C -0.787 175.077 175.900 -0.059 0.000 1.002 288 Y CA -1.054 57.035 58.100 -0.018 0.000 1.039 288 Y CB 1.924 40.354 38.460 -0.050 0.000 1.271 288 Y HN 0.802 nan 8.280 nan 0.000 0.467 289 N N 3.660 121.943 118.700 -0.695 0.000 2.635 289 N HA 0.027 4.767 4.740 -0.000 0.000 0.260 289 N C -0.272 174.954 175.510 -0.473 0.000 1.078 289 N CA -0.402 52.403 53.050 -0.408 0.000 1.012 289 N CB 0.791 39.167 38.487 -0.185 0.000 1.677 289 N HN 0.825 nan 8.380 nan 0.000 0.514 290 W N 2.536 123.666 121.300 -0.282 0.000 2.342 290 W HA 0.021 4.681 4.660 -0.000 0.000 0.297 290 W C 1.633 177.782 176.519 -0.617 0.000 1.213 290 W CA 2.379 59.589 57.345 -0.225 0.000 1.251 290 W CB -0.572 28.928 29.460 0.067 0.000 1.136 290 W HN 0.897 nan 8.180 nan 0.000 0.526 291 G N -2.757 105.579 108.800 -0.773 0.000 2.159 291 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.170 291 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.170 291 G C -0.060 174.278 174.900 -0.936 0.000 1.007 291 G CA -0.197 43.824 45.100 -1.798 0.000 0.672 291 G HN 0.216 nan 8.290 nan 0.000 0.507 292 Y N 1.769 121.938 120.300 -0.220 0.000 2.871 292 Y HA 0.338 4.888 4.550 -0.000 0.000 0.378 292 Y C 0.907 176.851 175.900 0.074 0.000 1.069 292 Y CA -0.344 57.744 58.100 -0.019 0.000 1.662 292 Y CB -0.009 38.531 38.460 0.134 0.000 1.561 292 Y HN 0.169 nan 8.280 nan 0.000 0.483 293 N N 1.092 119.810 118.700 0.031 0.000 2.765 293 N HA 0.202 4.942 4.740 -0.000 0.000 0.277 293 N C -3.096 172.400 175.510 -0.023 0.000 1.750 293 N CA -1.511 51.586 53.050 0.078 0.000 0.827 293 N CB 1.083 39.472 38.487 -0.164 0.000 1.200 293 N HN 0.041 nan 8.380 nan 0.000 0.494 294 P HA 0.050 nan 4.420 nan 0.000 0.261 294 P C 0.630 177.730 177.300 -0.333 0.000 1.183 294 P CA 0.191 63.072 63.100 -0.365 0.000 0.761 294 P CB 1.079 32.426 31.700 -0.588 0.000 0.785 295 L N 2.399 123.351 121.223 -0.450 0.000 2.614 295 L HA 0.198 4.538 4.340 -0.000 0.000 0.185 295 L C 0.517 176.927 176.870 -0.768 0.000 1.098 295 L CA 0.384 54.884 54.840 -0.566 0.000 0.852 295 L CB 0.040 41.715 42.059 -0.640 0.000 1.213 295 L HN 0.406 nan 8.230 nan 0.000 0.491 296 H N -0.531 118.417 119.070 -0.203 0.000 2.800 296 H HA 0.238 4.794 4.556 -0.000 0.000 0.322 296 H C -0.017 175.329 175.328 0.030 0.000 0.979 296 H CA -0.735 55.290 56.048 -0.039 0.000 1.277 296 H CB 1.208 30.986 29.762 0.026 0.000 1.484 296 H HN 0.002 nan 8.280 nan 0.000 0.512 297 F N 0.562 120.771 119.950 0.432 0.000 2.407 297 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 297 F C 1.351 177.446 175.800 0.492 0.000 1.097 297 F CA 0.867 59.130 58.000 0.439 0.000 1.422 297 F CB 0.025 39.370 39.000 0.575 0.000 1.067 297 F HN 0.379 nan 8.300 nan 0.000 0.539 298 F N -0.322 119.930 119.950 0.503 0.000 2.695 298 F HA 0.425 4.952 4.527 -0.000 0.000 0.303 298 F C 0.947 176.905 175.800 0.264 0.000 1.091 298 F CA -0.406 57.779 58.000 0.310 0.000 1.300 298 F CB -0.431 38.519 39.000 -0.083 0.000 1.071 298 F HN -0.204 nan 8.300 nan 0.000 0.578 299 A N -0.042 123.069 122.820 0.486 0.000 2.356 299 A HA 0.778 5.098 4.320 -0.000 0.000 0.323 299 A C -2.688 175.118 177.584 0.370 0.000 1.119 299 A CA -1.883 50.355 52.037 0.335 0.000 0.790 299 A CB 0.938 20.059 19.000 0.203 0.000 1.273 299 A HN -0.153 nan 8.150 nan 0.000 0.452 300 P HA 0.353 nan 4.420 nan 0.000 0.279 300 P C -0.639 176.734 177.300 0.121 0.000 1.252 300 P CA -0.338 62.917 63.100 0.257 0.000 0.811 300 P CB 0.638 32.451 31.700 0.188 0.000 1.035 301 E N 0.470 120.701 120.200 0.052 0.000 2.392 301 E HA 0.203 4.553 4.350 -0.000 0.000 0.264 301 E C 1.212 177.682 176.600 -0.217 0.000 1.024 301 E CA 0.272 56.483 56.400 -0.314 0.000 0.903 301 E CB -0.006 29.290 29.700 -0.673 0.000 0.963 301 E HN 0.527 nan 8.360 nan 0.000 0.432 302 G N 2.142 110.737 108.800 -0.341 0.000 2.539 302 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.215 302 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.215 302 G C 1.255 175.966 174.900 -0.314 0.000 1.141 302 G CA 0.485 45.443 45.100 -0.236 0.000 0.806 302 G HN 0.612 nan 8.290 nan 0.000 0.533 303 S N -0.049 115.341 115.700 -0.515 0.000 2.507 303 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 303 S C 1.742 176.108 174.600 -0.390 0.000 0.988 303 S CA 0.573 58.504 58.200 -0.449 0.000 0.944 303 S CB -0.454 62.453 63.200 -0.489 0.000 0.762 303 S HN 0.341 nan 8.310 nan 0.000 0.526 304 Y N 1.896 121.940 120.300 -0.426 0.000 2.482 304 Y HA 0.594 5.143 4.550 -0.000 0.000 0.270 304 Y C 1.351 176.900 175.900 -0.586 0.000 1.152 304 Y CA -1.085 56.591 58.100 -0.707 0.000 1.292 304 Y CB -0.869 36.727 38.460 -1.440 0.000 1.070 304 Y HN 0.394 nan 8.280 nan 0.000 0.528 305 A N 0.067 122.820 122.820 -0.111 0.000 2.302 305 A HA 0.417 4.737 4.320 -0.000 0.000 0.285 305 A C 1.525 179.140 177.584 0.052 0.000 1.105 305 A CA 0.221 52.333 52.037 0.124 0.000 0.816 305 A CB 0.415 19.522 19.000 0.178 0.000 1.067 305 A HN 0.306 nan 8.150 nan 0.000 0.489 306 S N 0.832 116.584 115.700 0.087 0.000 2.382 306 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 306 S C 0.642 175.269 174.600 0.044 0.000 1.027 306 S CA 1.348 59.583 58.200 0.058 0.000 0.991 306 S CB -0.377 62.862 63.200 0.066 0.000 0.823 306 S HN 0.816 nan 8.310 nan 0.000 0.469 307 N N 1.392 120.120 118.700 0.047 0.000 2.540 307 N HA 0.304 5.044 4.740 -0.000 0.000 0.275 307 N C -2.579 172.923 175.510 -0.014 0.000 1.053 307 N CA -1.809 51.268 53.050 0.044 0.000 0.876 307 N CB 1.909 40.443 38.487 0.078 0.000 1.284 307 N HN 0.018 nan 8.380 nan 0.000 0.518 308 P HA -0.038 nan 4.420 nan 0.000 0.241 308 P C 0.389 177.524 177.300 -0.276 0.000 1.191 308 P CA 0.686 63.649 63.100 -0.228 0.000 0.771 308 P CB 0.274 31.779 31.700 -0.325 0.000 0.929 309 H N -0.099 118.957 119.070 -0.024 0.000 2.436 309 H HA 0.032 4.588 4.556 -0.000 0.000 0.294 309 H C 0.276 175.583 175.328 -0.036 0.000 1.048 309 H CA 0.816 56.843 56.048 -0.035 0.000 1.353 309 H CB -0.264 29.477 29.762 -0.034 0.000 1.414 309 H HN 0.237 nan 8.280 nan 0.000 0.536 310 D N 1.506 121.953 120.400 0.080 0.000 2.380 310 D HA 0.092 4.732 4.640 -0.000 0.000 0.230 310 D C -1.659 174.652 176.300 0.018 0.000 1.154 310 D CA -2.036 51.988 54.000 0.040 0.000 0.859 310 D CB 1.498 42.327 40.800 0.048 0.000 1.045 310 D HN -0.088 nan 8.370 nan 0.000 0.495 311 P HA -0.266 nan 4.420 nan 0.000 0.219 311 P C 1.090 178.400 177.300 0.017 0.000 1.158 311 P CA 1.265 64.360 63.100 -0.009 0.000 0.895 311 P CB 0.208 31.884 31.700 -0.040 0.000 0.792 312 Q N -1.022 118.790 119.800 0.020 0.000 2.172 312 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 312 Q C 1.918 177.944 176.000 0.043 0.000 0.964 312 Q CA 1.970 57.795 55.803 0.037 0.000 0.855 312 Q CB -1.417 27.353 28.738 0.053 0.000 0.918 312 Q HN 0.118 nan 8.270 nan 0.000 0.444 313 T N 1.443 116.024 114.554 0.046 0.000 2.635 313 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 313 T C 1.576 176.324 174.700 0.081 0.000 1.040 313 T CA 2.058 64.192 62.100 0.057 0.000 1.156 313 T CB -0.369 68.535 68.868 0.060 0.000 0.863 313 T HN 0.624 nan 8.240 nan 0.000 0.430 314 R N 1.546 122.108 120.500 0.103 0.000 2.096 314 R HA -0.052 4.287 4.340 -0.000 0.000 0.235 314 R C 2.149 178.478 176.300 0.048 0.000 1.127 314 R CA 1.426 57.623 56.100 0.160 0.000 0.968 314 R CB -0.331 30.093 30.300 0.206 0.000 0.861 314 R HN 0.321 nan 8.270 nan 0.000 0.440 315 K N 0.488 120.938 120.400 0.082 0.000 2.057 315 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 315 K C 2.149 178.782 176.600 0.055 0.000 1.050 315 K CA 1.979 58.346 56.287 0.132 0.000 0.935 315 K CB -0.172 32.401 32.500 0.121 0.000 0.715 315 K HN 0.197 nan 8.250 nan 0.000 0.439 316 T N 1.630 116.190 114.554 0.008 0.000 2.708 316 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 316 T C 1.633 176.313 174.700 -0.034 0.000 1.037 316 T CA 1.437 63.517 62.100 -0.033 0.000 1.146 316 T CB -0.151 68.703 68.868 -0.022 0.000 0.865 316 T HN 0.332 nan 8.240 nan 0.000 0.435 317 E N 0.551 120.747 120.200 -0.008 0.000 2.106 317 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 317 E C 2.153 178.699 176.600 -0.091 0.000 0.984 317 E CA 0.603 57.011 56.400 0.013 0.000 0.806 317 E CB -0.222 29.571 29.700 0.156 0.000 0.750 317 E HN 0.220 nan 8.360 nan 0.000 0.458 318 L N 1.819 122.839 121.223 -0.338 0.000 2.093 318 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 318 L C 1.828 178.692 176.870 -0.010 0.000 1.085 318 L CA 1.801 56.385 54.840 -0.427 0.000 0.755 318 L CB -0.140 41.542 42.059 -0.629 0.000 0.904 318 L HN -0.111 nan 8.230 nan 0.000 0.435 319 K N -0.940 119.515 120.400 0.092 0.000 2.097 319 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 319 K C 2.059 178.668 176.600 0.016 0.000 1.050 319 K CA 1.615 57.992 56.287 0.149 0.000 0.938 319 K CB -0.163 32.278 32.500 -0.097 0.000 0.718 319 K HN 0.520 nan 8.250 nan 0.000 0.442 320 Q N 0.440 120.212 119.800 -0.047 0.000 2.079 320 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 320 Q C 2.180 178.187 176.000 0.012 0.000 0.974 320 Q CA 1.254 57.032 55.803 -0.041 0.000 0.840 320 Q CB -0.118 28.600 28.738 -0.033 0.000 0.898 320 Q HN 0.341 nan 8.270 nan 0.000 0.430 321 M N 0.642 120.253 119.600 0.019 0.000 2.080 321 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 321 M C 1.986 178.280 176.300 -0.010 0.000 1.068 321 M CA 1.623 56.932 55.300 0.016 0.000 1.109 321 M CB -0.042 32.576 32.600 0.029 0.000 1.342 321 M HN 0.184 nan 8.290 nan 0.000 0.405 322 I N 0.227 120.799 120.570 0.003 0.000 2.226 322 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 322 I C 2.140 178.156 176.117 -0.169 0.000 1.100 322 I CA 1.508 62.745 61.300 -0.106 0.000 1.374 322 I CB -0.728 37.265 38.000 -0.011 0.000 1.057 322 I HN 0.438 nan 8.210 nan 0.000 0.413 323 N N 0.510 119.294 118.700 0.140 0.000 2.120 323 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 323 N C 1.725 177.317 175.510 0.136 0.000 1.024 323 N CA 1.936 55.117 53.050 0.219 0.000 0.852 323 N CB -0.107 38.489 38.487 0.181 0.000 1.003 323 N HN 0.182 nan 8.380 nan 0.000 0.424 324 T N 0.696 115.305 114.554 0.092 0.000 2.746 324 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 324 T C 1.911 176.727 174.700 0.193 0.000 1.039 324 T CA 0.996 63.181 62.100 0.142 0.000 1.142 324 T CB -0.344 68.577 68.868 0.088 0.000 0.866 324 T HN 0.163 nan 8.240 nan 0.000 0.444 325 L N 0.046 121.313 121.223 0.072 0.000 2.042 325 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 325 L C 2.562 179.544 176.870 0.187 0.000 1.076 325 L CA 1.622 56.504 54.840 0.071 0.000 0.749 325 L CB -0.623 41.416 42.059 -0.033 0.000 0.893 325 L HN 0.478 nan 8.230 nan 0.000 0.432 326 H N -1.016 118.097 119.070 0.073 0.000 2.387 326 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 326 H C 2.289 177.646 175.328 0.049 0.000 1.090 326 H CA 0.893 56.968 56.048 0.045 0.000 1.332 326 H CB 0.156 29.953 29.762 0.057 0.000 1.386 326 H HN 0.436 nan 8.280 nan 0.000 0.516 327 Q N -0.012 119.910 119.800 0.203 0.000 2.226 327 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 327 Q C 0.886 176.826 176.000 -0.100 0.000 0.975 327 Q CA 0.900 56.733 55.803 0.050 0.000 0.866 327 Q CB 0.190 28.951 28.738 0.038 0.000 0.915 327 Q HN 0.690 nan 8.270 nan 0.000 0.440 328 H N -1.484 117.615 119.070 0.048 0.000 2.505 328 H HA 0.178 4.733 4.556 -0.000 0.000 0.289 328 H C 0.890 176.225 175.328 0.011 0.000 1.052 328 H CA 0.523 56.585 56.048 0.023 0.000 1.156 328 H CB 0.843 30.616 29.762 0.017 0.000 1.507 328 H HN 0.432 nan 8.280 nan 0.000 0.548 329 G N 1.378 110.224 108.800 0.076 0.000 2.155 329 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 329 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 329 G C 0.119 175.032 174.900 0.021 0.000 0.983 329 G CA 0.060 45.179 45.100 0.032 0.000 0.676 329 G HN 0.291 nan 8.290 nan 0.000 0.528 330 L N -0.070 121.186 121.223 0.055 0.000 2.309 330 L HA 0.651 4.991 4.340 -0.000 0.000 0.282 330 L C 1.026 177.903 176.870 0.010 0.000 1.036 330 L CA -0.993 53.844 54.840 -0.005 0.000 0.806 330 L CB 1.339 43.398 42.059 -0.000 0.000 1.220 330 L HN 0.109 nan 8.230 nan 0.000 0.429 331 R N 1.234 121.618 120.500 -0.193 0.000 2.674 331 R HA 0.694 5.034 4.340 -0.000 0.000 0.266 331 R C -1.124 175.081 176.300 -0.158 0.000 1.016 331 R CA -0.776 55.184 56.100 -0.233 0.000 1.062 331 R CB 2.470 32.317 30.300 -0.755 0.000 1.142 331 R HN 0.341 nan 8.270 nan 0.000 0.517 332 V N 3.189 123.063 119.914 -0.068 0.000 2.604 332 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 332 V C -0.942 175.077 176.094 -0.124 0.000 1.043 332 V CA -0.655 61.588 62.300 -0.094 0.000 0.888 332 V CB 1.653 33.396 31.823 -0.133 0.000 0.995 332 V HN 0.560 nan 8.190 nan 0.000 0.429 333 I N 6.719 127.212 120.570 -0.129 0.000 2.433 333 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 333 I C -1.096 174.827 176.117 -0.322 0.000 1.001 333 I CA -0.786 60.384 61.300 -0.217 0.000 1.119 333 I CB 1.858 39.831 38.000 -0.045 0.000 1.289 333 I HN 0.386 nan 8.210 nan 0.000 0.438 334 L N 5.749 126.650 121.223 -0.537 0.000 2.272 334 L HA 0.325 4.665 4.340 -0.000 0.000 0.289 334 L C 0.029 176.655 176.870 -0.407 0.000 1.032 334 L CA -0.141 54.407 54.840 -0.488 0.000 0.810 334 L CB 0.906 42.597 42.059 -0.614 0.000 1.205 334 L HN 0.438 nan 8.230 nan 0.000 0.422 335 D N 3.134 123.334 120.400 -0.332 0.000 2.343 335 D HA 0.295 4.935 4.640 -0.000 0.000 0.255 335 D C -0.706 175.391 176.300 -0.338 0.000 1.187 335 D CA 0.022 53.853 54.000 -0.282 0.000 0.875 335 D CB 0.980 41.658 40.800 -0.202 0.000 1.136 335 D HN 0.252 nan 8.370 nan 0.000 0.469 336 V N 1.437 121.119 119.914 -0.387 0.000 2.769 336 V HA 0.578 4.698 4.120 -0.000 0.000 0.312 336 V C 0.007 175.845 176.094 -0.426 0.000 1.061 336 V CA -0.926 61.054 62.300 -0.533 0.000 0.931 336 V CB 1.923 33.284 31.823 -0.769 0.000 1.010 336 V HN 0.212 nan 8.190 nan 0.000 0.433 337 V N 3.990 123.665 119.914 -0.398 0.000 2.233 337 V HA 0.343 4.463 4.120 -0.000 0.000 0.261 337 V C -0.054 176.076 176.094 0.060 0.000 1.076 337 V CA 0.063 62.320 62.300 -0.072 0.000 1.001 337 V CB -0.430 31.425 31.823 0.053 0.000 1.206 337 V HN 0.846 nan 8.190 nan 0.000 0.468 338 F N 1.815 121.919 119.950 0.257 0.000 2.693 338 F HA 0.158 4.684 4.527 -0.000 0.000 0.303 338 F C 1.899 177.795 175.800 0.160 0.000 1.143 338 F CA -0.342 57.746 58.000 0.146 0.000 1.389 338 F CB -0.396 38.661 39.000 0.096 0.000 1.060 338 F HN 0.536 nan 8.300 nan 0.000 0.535 339 N N 0.412 119.319 118.700 0.344 0.000 2.325 339 N HA -0.010 4.730 4.740 -0.000 0.000 0.182 339 N C 0.115 175.876 175.510 0.419 0.000 1.088 339 N CA 0.507 53.751 53.050 0.324 0.000 0.879 339 N CB 0.009 38.667 38.487 0.286 0.000 0.983 339 N HN 0.485 nan 8.380 nan 0.000 0.471 340 H N -1.750 117.535 119.070 0.357 0.000 2.950 340 H HA 0.521 5.077 4.556 -0.000 0.000 0.307 340 H C -1.434 174.199 175.328 0.507 0.000 1.403 340 H CA -1.052 55.239 56.048 0.406 0.000 1.145 340 H CB 1.174 31.105 29.762 0.283 0.000 1.844 340 H HN -0.068 nan 8.280 nan 0.000 0.515 341 V N -1.007 119.191 119.914 0.473 0.000 3.074 341 V HA 0.498 4.618 4.120 -0.000 0.000 0.314 341 V C -0.789 175.535 176.094 0.384 0.000 1.117 341 V CA -1.160 61.354 62.300 0.357 0.000 1.014 341 V CB 1.722 33.853 31.823 0.514 0.000 1.057 341 V HN 0.966 nan 8.190 nan 0.000 0.438 342 Y N 2.365 122.740 120.300 0.126 0.000 2.377 342 Y HA 0.399 4.949 4.550 -0.000 0.000 0.330 342 Y C 0.925 176.875 175.900 0.083 0.000 1.108 342 Y CA -0.013 58.163 58.100 0.126 0.000 1.308 342 Y CB 0.398 38.889 38.460 0.052 0.000 1.216 342 Y HN 0.908 nan 8.280 nan 0.000 0.518 343 K N 5.315 125.453 120.400 -0.436 0.000 4.856 343 K HA -0.331 3.989 4.320 -0.000 0.000 0.306 343 K C 1.234 177.730 176.600 -0.172 0.000 0.895 343 K CA 0.853 56.907 56.287 -0.388 0.000 0.963 343 K CB -0.376 31.795 32.500 -0.548 0.000 1.737 343 K HN 0.891 nan 8.250 nan 0.000 0.424 344 R N 2.347 122.736 120.500 -0.185 0.000 2.134 344 R HA -0.262 4.078 4.340 -0.000 0.000 0.248 344 R C 1.982 178.171 176.300 -0.185 0.000 1.143 344 R CA 2.349 58.258 56.100 -0.319 0.000 0.957 344 R CB -0.034 29.879 30.300 -0.644 0.000 0.867 344 R HN 0.671 nan 8.270 nan 0.000 0.441 345 E N 0.077 120.192 120.200 -0.143 0.000 2.130 345 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 345 E C 0.419 177.021 176.600 0.002 0.000 0.998 345 E CA 1.391 57.757 56.400 -0.057 0.000 0.806 345 E CB -0.424 29.242 29.700 -0.056 0.000 0.738 345 E HN 0.453 nan 8.360 nan 0.000 0.459 346 N N 1.176 119.872 118.700 -0.007 0.000 2.234 346 N HA 0.040 4.779 4.740 -0.000 0.000 0.227 346 N C -0.199 175.348 175.510 0.062 0.000 1.151 346 N CA 0.323 53.392 53.050 0.031 0.000 0.865 346 N CB 0.886 39.380 38.487 0.010 0.000 1.066 346 N HN 0.210 nan 8.380 nan 0.000 0.515 347 S N 0.267 116.024 115.700 0.094 0.000 2.603 347 S HA 0.348 4.818 4.470 -0.000 0.000 0.268 347 S C -1.658 173.028 174.600 0.143 0.000 1.317 347 S CA -0.888 57.388 58.200 0.126 0.000 1.012 347 S CB 1.935 65.278 63.200 0.239 0.000 0.926 347 S HN -0.183 nan 8.310 nan 0.000 0.539 348 P HA -0.077 nan 4.420 nan 0.000 0.216 348 P C 0.995 178.372 177.300 0.129 0.000 1.150 348 P CA 1.112 64.245 63.100 0.055 0.000 0.837 348 P CB -0.091 31.584 31.700 -0.043 0.000 0.786 349 F N 0.094 120.079 119.950 0.059 0.000 2.046 349 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 349 F C 2.469 178.486 175.800 0.363 0.000 1.123 349 F CA 1.386 59.368 58.000 -0.031 0.000 1.199 349 F CB -1.530 37.341 39.000 -0.216 0.000 0.972 349 F HN -0.045 nan 8.300 nan 0.000 0.474 350 E N 0.536 121.135 120.200 0.665 0.000 2.110 350 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 350 E C 1.909 178.703 176.600 0.323 0.000 0.988 350 E CA 1.448 58.156 56.400 0.514 0.000 0.804 350 E CB -0.240 29.686 29.700 0.377 0.000 0.745 350 E HN 0.267 nan 8.360 nan 0.000 0.458 351 K N -1.052 119.505 120.400 0.262 0.000 2.366 351 K HA 0.015 4.334 4.320 -0.000 0.000 0.198 351 K C 1.627 178.334 176.600 0.178 0.000 1.044 351 K CA 1.300 57.699 56.287 0.186 0.000 0.973 351 K CB 0.244 32.839 32.500 0.158 0.000 0.767 351 K HN 0.116 nan 8.250 nan 0.000 0.475 352 T N -0.255 114.444 114.554 0.242 0.000 3.004 352 T HA 0.054 4.404 4.350 -0.000 0.000 0.243 352 T C 0.498 175.301 174.700 0.172 0.000 1.020 352 T CA 0.429 62.657 62.100 0.213 0.000 1.145 352 T CB 0.533 69.585 68.868 0.306 0.000 0.876 352 T HN -0.180 nan 8.240 nan 0.000 0.449 353 V N 3.384 123.480 119.914 0.303 0.000 2.454 353 V HA 0.327 4.447 4.120 -0.000 0.000 0.267 353 V C -2.909 173.351 176.094 0.277 0.000 0.993 353 V CA -2.233 60.179 62.300 0.187 0.000 0.836 353 V CB 1.015 32.907 31.823 0.116 0.000 1.055 353 V HN 0.115 nan 8.190 nan 0.000 0.452 354 P HA 0.159 nan 4.420 nan 0.000 0.261 354 P C 1.223 178.639 177.300 0.193 0.000 1.183 354 P CA 1.762 64.984 63.100 0.202 0.000 0.761 354 P CB 0.599 32.365 31.700 0.111 0.000 0.785 355 G N 2.168 111.150 108.800 0.303 0.000 2.212 355 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.266 355 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.266 355 G C 0.854 175.905 174.900 0.251 0.000 0.978 355 G CA 0.524 45.797 45.100 0.288 0.000 0.632 355 G HN 0.547 nan 8.290 nan 0.000 0.537 356 Y N 0.326 120.668 120.300 0.070 0.000 2.206 356 Y HA 0.372 4.922 4.550 -0.000 0.000 0.292 356 Y C 2.212 177.938 175.900 -0.291 0.000 1.123 356 Y CA 1.902 59.910 58.100 -0.153 0.000 1.142 356 Y CB -0.154 38.123 38.460 -0.304 0.000 1.006 356 Y HN 0.173 nan 8.280 nan 0.000 0.518 357 F N -0.459 119.447 119.950 -0.074 0.000 2.802 357 F HA 0.122 4.649 4.527 -0.000 0.000 0.300 357 F C -0.521 174.700 175.800 -0.965 0.000 1.168 357 F CA 0.236 57.834 58.000 -0.671 0.000 1.433 357 F CB -0.359 37.956 39.000 -1.141 0.000 1.115 357 F HN -0.162 nan 8.300 nan 0.000 0.582 358 F N -0.760 119.238 119.950 0.080 0.000 2.551 358 F HA 0.503 5.030 4.527 -0.000 0.000 0.316 358 F C 0.394 176.172 175.800 -0.036 0.000 1.089 358 F CA -1.638 56.374 58.000 0.020 0.000 0.915 358 F CB 1.104 40.107 39.000 0.005 0.000 1.186 358 F HN -0.421 nan 8.300 nan 0.000 0.456 359 R N 0.793 121.349 120.500 0.093 0.000 2.539 359 R HA 0.426 4.766 4.340 -0.000 0.000 0.275 359 R C -1.192 175.061 176.300 -0.079 0.000 1.077 359 R CA -0.580 55.556 56.100 0.060 0.000 1.097 359 R CB 0.568 30.894 30.300 0.043 0.000 1.018 359 R HN 0.639 nan 8.270 nan 0.000 0.483 360 H N -0.346 118.748 119.070 0.039 0.000 2.747 360 H HA 0.145 4.701 4.556 -0.000 0.000 0.371 360 H C -0.590 174.748 175.328 0.016 0.000 1.161 360 H CA -0.895 55.171 56.048 0.030 0.000 1.167 360 H CB 1.281 31.053 29.762 0.016 0.000 1.732 360 H HN 0.609 nan 8.280 nan 0.000 0.544 361 D N 0.066 120.536 120.400 0.116 0.000 2.433 361 D HA -0.005 4.635 4.640 -0.000 0.000 0.255 361 D C 0.613 176.952 176.300 0.064 0.000 1.226 361 D CA -0.585 53.455 54.000 0.067 0.000 1.015 361 D CB 0.617 41.441 40.800 0.040 0.000 1.091 361 D HN 0.653 nan 8.370 nan 0.000 0.527 362 E N -0.668 119.554 120.200 0.037 0.000 2.333 362 E HA -0.082 4.268 4.350 -0.000 0.000 0.198 362 E C 1.200 177.810 176.600 0.018 0.000 1.007 362 E CA 0.798 57.212 56.400 0.023 0.000 0.845 362 E CB -0.611 29.096 29.700 0.013 0.000 0.766 362 E HN 0.408 nan 8.360 nan 0.000 0.507 363 C N -0.005 119.309 119.300 0.024 0.000 2.697 363 C HA 0.454 4.914 4.460 -0.000 0.000 0.267 363 C C 1.797 176.800 174.990 0.022 0.000 1.278 363 C CA 0.324 59.352 59.018 0.016 0.000 1.708 363 C CB -1.136 26.612 27.740 0.014 0.000 1.860 363 C HN 0.730 nan 8.230 nan 0.000 0.589 364 G N 0.937 109.764 108.800 0.046 0.000 2.157 364 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 364 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 364 G C -0.146 174.856 174.900 0.171 0.000 0.979 364 G CA 0.118 45.249 45.100 0.052 0.000 0.650 364 G HN 0.459 nan 8.290 nan 0.000 0.529 365 K N 0.874 121.361 120.400 0.145 0.000 2.110 365 K HA 0.612 4.932 4.320 -0.000 0.000 0.263 365 K C -2.399 174.233 176.600 0.054 0.000 0.975 365 K CA -2.343 54.016 56.287 0.120 0.000 0.895 365 K CB 1.022 33.547 32.500 0.043 0.000 1.060 365 K HN -0.031 nan 8.250 nan 0.000 0.448 366 P HA -0.030 nan 4.420 nan 0.000 0.263 366 P C -0.682 176.540 177.300 -0.129 0.000 1.195 366 P CA 0.024 62.947 63.100 -0.295 0.000 0.762 366 P CB 0.532 32.083 31.700 -0.248 0.000 0.799 367 S N 2.356 117.993 115.700 -0.104 0.000 2.600 367 S HA 0.196 4.665 4.470 -0.000 0.000 0.265 367 S C 0.471 175.064 174.600 -0.012 0.000 1.325 367 S CA -0.271 57.913 58.200 -0.026 0.000 1.002 367 S CB 0.340 63.543 63.200 0.005 0.000 0.921 367 S HN 0.436 nan 8.310 nan 0.000 0.554 368 N N -0.461 118.242 118.700 0.004 0.000 2.628 368 N HA 0.279 5.019 4.740 -0.000 0.000 0.299 368 N C 0.954 176.477 175.510 0.022 0.000 1.834 368 N CA 0.155 53.209 53.050 0.007 0.000 0.871 368 N CB -0.020 38.461 38.487 -0.011 0.000 1.377 368 N HN 0.725 nan 8.380 nan 0.000 0.493 369 G N -0.832 107.994 108.800 0.043 0.000 2.448 369 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 369 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 369 G C 1.356 176.299 174.900 0.072 0.000 1.127 369 G CA 1.574 46.709 45.100 0.058 0.000 0.766 369 G HN 0.498 nan 8.290 nan 0.000 0.552 370 T N -2.549 112.043 114.554 0.063 0.000 2.995 370 T HA 0.291 4.641 4.350 -0.000 0.000 0.269 370 T C 2.105 176.804 174.700 -0.001 0.000 1.091 370 T CA 1.092 63.219 62.100 0.045 0.000 1.128 370 T CB -0.183 68.699 68.868 0.024 0.000 0.891 370 T HN 1.326 nan 8.240 nan 0.000 0.492 371 G N 0.685 109.478 108.800 -0.011 0.000 2.179 371 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 371 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 371 G C 0.703 175.559 174.900 -0.072 0.000 0.977 371 G CA 0.552 45.636 45.100 -0.026 0.000 0.641 371 G HN 1.556 nan 8.290 nan 0.000 0.533 372 V N -3.442 116.395 119.914 -0.128 0.000 3.176 372 V HA 0.729 4.849 4.120 -0.000 0.000 0.332 372 V C 1.509 177.532 176.094 -0.118 0.000 1.414 372 V CA 1.092 63.288 62.300 -0.173 0.000 1.133 372 V CB -0.096 31.504 31.823 -0.372 0.000 1.088 372 V HN 2.066 nan 8.190 nan 0.000 0.473 373 G N 0.887 109.643 108.800 -0.073 0.000 2.391 373 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.204 373 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.204 373 G C -0.043 174.828 174.900 -0.047 0.000 1.012 373 G CA 0.151 45.217 45.100 -0.057 0.000 0.651 373 G HN 1.070 nan 8.290 nan 0.000 0.494 374 N N 0.393 119.100 118.700 0.011 0.000 2.823 374 N HA 0.514 5.254 4.740 -0.000 0.000 0.251 374 N C -2.625 173.015 175.510 0.216 0.000 1.392 374 N CA -0.605 52.486 53.050 0.069 0.000 0.864 374 N CB 1.776 40.249 38.487 -0.023 0.000 1.481 374 N HN -0.042 nan 8.380 nan 0.000 0.508 375 D N 1.058 121.616 120.400 0.264 0.000 2.593 375 D HA 0.439 5.079 4.640 -0.000 0.000 0.251 375 D C 0.057 176.543 176.300 0.310 0.000 1.140 375 D CA -0.281 53.876 54.000 0.260 0.000 0.855 375 D CB 2.028 42.916 40.800 0.147 0.000 1.267 375 D HN 0.435 nan 8.370 nan 0.000 0.532 376 I N 1.424 122.156 120.570 0.269 0.000 2.618 376 I HA 0.097 4.267 4.170 -0.000 0.000 0.284 376 I C 0.875 176.981 176.117 -0.019 0.000 1.146 376 I CA -0.156 61.175 61.300 0.052 0.000 1.425 376 I CB 0.801 38.841 38.000 0.067 0.000 1.383 376 I HN 0.395 nan 8.210 nan 0.000 0.562 377 A N 5.271 128.007 122.820 -0.140 0.000 2.990 377 A HA 0.172 4.492 4.320 -0.000 0.000 0.282 377 A C 1.474 178.964 177.584 -0.157 0.000 1.688 377 A CA -0.085 51.870 52.037 -0.136 0.000 1.391 377 A CB -0.407 18.471 19.000 -0.203 0.000 1.112 377 A HN 0.908 nan 8.150 nan 0.000 0.588 378 S N 1.249 116.899 115.700 -0.083 0.000 2.419 378 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 378 S C 1.567 176.112 174.600 -0.090 0.000 1.019 378 S CA 1.292 59.450 58.200 -0.069 0.000 0.982 378 S CB -0.224 62.958 63.200 -0.031 0.000 0.789 378 S HN 0.814 nan 8.310 nan 0.000 0.490 379 E N 1.811 121.951 120.200 -0.100 0.000 2.338 379 E HA -0.103 4.247 4.350 -0.000 0.000 0.197 379 E C 0.366 176.883 176.600 -0.138 0.000 1.007 379 E CA 0.243 56.578 56.400 -0.108 0.000 0.849 379 E CB -0.404 29.243 29.700 -0.088 0.000 0.774 379 E HN 0.436 nan 8.360 nan 0.000 0.506 380 R N 1.614 121.996 120.500 -0.197 0.000 2.489 380 R HA 0.165 4.505 4.340 -0.000 0.000 0.287 380 R C 1.386 177.635 176.300 -0.085 0.000 1.053 380 R CA -0.036 55.916 56.100 -0.246 0.000 1.036 380 R CB 0.465 30.351 30.300 -0.691 0.000 0.966 380 R HN 0.187 nan 8.270 nan 0.000 0.432 381 R N 1.626 122.126 120.500 0.001 0.000 2.117 381 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 381 R C 1.681 178.053 176.300 0.120 0.000 1.143 381 R CA 1.387 57.481 56.100 -0.010 0.000 0.968 381 R CB -0.004 30.254 30.300 -0.070 0.000 0.863 381 R HN 0.415 nan 8.270 nan 0.000 0.444 382 M N -0.589 119.100 119.600 0.148 0.000 2.558 382 M HA 0.077 4.557 4.480 -0.000 0.000 0.255 382 M C 1.972 178.448 176.300 0.293 0.000 1.113 382 M CA 0.611 55.928 55.300 0.029 0.000 1.097 382 M CB -0.299 31.900 32.600 -0.668 0.000 1.426 382 M HN 0.165 nan 8.290 nan 0.000 0.488 383 A N 0.093 123.058 122.820 0.243 0.000 1.911 383 A HA -0.073 4.247 4.320 -0.000 0.000 0.212 383 A C 2.318 179.994 177.584 0.153 0.000 1.189 383 A CA 0.984 53.150 52.037 0.214 0.000 0.639 383 A CB -0.441 18.560 19.000 0.002 0.000 0.839 383 A HN 0.431 nan 8.150 nan 0.000 0.449 384 R N 0.320 120.857 120.500 0.063 0.000 2.096 384 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 384 R C 2.192 178.566 176.300 0.124 0.000 1.127 384 R CA 1.898 58.010 56.100 0.020 0.000 0.968 384 R CB -0.259 29.975 30.300 -0.110 0.000 0.861 384 R HN 0.498 nan 8.270 nan 0.000 0.440 385 K N -0.281 120.233 120.400 0.190 0.000 2.057 385 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 385 K C 1.932 178.730 176.600 0.330 0.000 1.049 385 K CA 1.538 58.000 56.287 0.292 0.000 0.931 385 K CB -0.301 32.385 32.500 0.309 0.000 0.714 385 K HN 0.200 nan 8.250 nan 0.000 0.440 386 F N 1.802 121.881 119.950 0.214 0.000 2.102 386 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 386 F C 1.869 177.692 175.800 0.038 0.000 1.105 386 F CA 1.535 59.666 58.000 0.219 0.000 1.239 386 F CB -0.110 39.009 39.000 0.198 0.000 0.991 386 F HN -0.040 nan 8.300 nan 0.000 0.474 387 I N 0.225 120.793 120.570 -0.004 0.000 2.179 387 I HA -0.320 3.849 4.170 -0.000 0.000 0.242 387 I C 2.694 178.566 176.117 -0.408 0.000 1.088 387 I CA 1.235 62.217 61.300 -0.531 0.000 1.357 387 I CB -0.993 36.706 38.000 -0.502 0.000 1.051 387 I HN 0.260 nan 8.210 nan 0.000 0.409 388 A N 0.494 123.250 122.820 -0.106 0.000 1.877 388 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 388 A C 1.957 179.535 177.584 -0.010 0.000 1.186 388 A CA 2.041 54.053 52.037 -0.043 0.000 0.620 388 A CB -0.619 18.450 19.000 0.115 0.000 0.822 388 A HN 0.322 nan 8.150 nan 0.000 0.443 389 D N -0.696 119.759 120.400 0.092 0.000 2.104 389 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 389 D C 1.983 178.409 176.300 0.211 0.000 0.994 389 D CA 1.410 55.552 54.000 0.237 0.000 0.830 389 D CB -0.787 40.288 40.800 0.459 0.000 0.959 389 D HN 0.422 nan 8.370 nan 0.000 0.452 390 C N 0.039 119.274 119.300 -0.109 0.000 2.432 390 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 390 C C 2.850 177.863 174.990 0.039 0.000 1.249 390 C CA 0.535 59.277 59.018 -0.460 0.000 1.725 390 C CB -0.891 26.446 27.740 -0.671 0.000 2.028 390 C HN 0.128 nan 8.230 nan 0.000 0.477 391 V N 0.387 120.252 119.914 -0.081 0.000 2.343 391 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 391 V C 2.465 178.597 176.094 0.064 0.000 1.051 391 V CA 2.260 64.449 62.300 -0.185 0.000 1.036 391 V CB -0.637 30.945 31.823 -0.403 0.000 0.654 391 V HN 0.506 nan 8.190 nan 0.000 0.451 392 V N -0.924 119.040 119.914 0.083 0.000 2.427 392 V HA -0.274 3.845 4.120 -0.000 0.000 0.248 392 V C 2.189 178.404 176.094 0.202 0.000 1.051 392 V CA 2.306 64.685 62.300 0.132 0.000 1.048 392 V CB -0.778 31.104 31.823 0.098 0.000 0.666 392 V HN 0.689 nan 8.190 nan 0.000 0.456 393 Y N -0.403 119.980 120.300 0.138 0.000 2.145 393 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 393 Y C 2.103 178.061 175.900 0.098 0.000 1.145 393 Y CA 1.474 59.643 58.100 0.116 0.000 1.148 393 Y CB -0.418 38.136 38.460 0.157 0.000 0.981 393 Y HN 0.285 nan 8.280 nan 0.000 0.507 394 W N 0.242 121.615 121.300 0.120 0.000 2.402 394 W HA -0.132 4.528 4.660 -0.000 0.000 0.286 394 W C 2.225 178.819 176.519 0.126 0.000 1.221 394 W CA 1.325 58.761 57.345 0.152 0.000 1.257 394 W CB -0.396 29.256 29.460 0.319 0.000 1.120 394 W HN 0.086 nan 8.180 nan 0.000 0.551 395 L N -0.260 121.174 121.223 0.351 0.000 2.005 395 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 395 L C 2.299 179.163 176.870 -0.009 0.000 1.072 395 L CA 1.498 56.448 54.840 0.184 0.000 0.744 395 L CB -0.756 41.431 42.059 0.213 0.000 0.895 395 L HN -0.012 nan 8.230 nan 0.000 0.433 396 E N -0.345 119.839 120.200 -0.027 0.000 2.072 396 E HA -0.252 4.098 4.350 -0.000 0.000 0.190 396 E C 2.004 178.508 176.600 -0.160 0.000 0.982 396 E CA 1.197 57.548 56.400 -0.081 0.000 0.803 396 E CB 0.090 29.782 29.700 -0.014 0.000 0.755 396 E HN 0.317 nan 8.360 nan 0.000 0.453 397 E N -0.274 119.725 120.200 -0.335 0.000 2.170 397 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 397 E C 0.865 177.185 176.600 -0.467 0.000 0.981 397 E CA 0.947 57.050 56.400 -0.494 0.000 0.830 397 E CB 0.118 29.163 29.700 -1.090 0.000 0.775 397 E HN 0.277 nan 8.360 nan 0.000 0.470 398 Y N -0.459 119.736 120.300 -0.175 0.000 2.481 398 Y HA 0.275 4.824 4.550 -0.000 0.000 0.247 398 Y C 0.480 176.149 175.900 -0.385 0.000 1.151 398 Y CA 0.129 58.219 58.100 -0.017 0.000 1.238 398 Y CB 0.360 38.886 38.460 0.110 0.000 1.179 398 Y HN -0.036 nan 8.280 nan 0.000 0.524 399 N N 0.614 119.055 118.700 -0.432 0.000 2.727 399 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 399 N C -0.399 174.947 175.510 -0.274 0.000 1.048 399 N CA 0.704 53.386 53.050 -0.614 0.000 0.714 399 N CB -1.241 36.294 38.487 -1.586 0.000 0.959 399 N HN 0.201 nan 8.380 nan 0.000 0.544 400 V N -3.179 116.662 119.914 -0.121 0.000 3.489 400 V HA 0.405 4.525 4.120 -0.000 0.000 0.297 400 V C 1.122 177.144 176.094 -0.120 0.000 1.071 400 V CA 0.348 62.570 62.300 -0.129 0.000 1.074 400 V CB 1.165 32.839 31.823 -0.249 0.000 1.188 400 V HN 0.208 nan 8.190 nan 0.000 0.458 401 D N 0.368 120.683 120.400 -0.142 0.000 2.479 401 D HA 0.452 5.092 4.640 -0.000 0.000 0.218 401 D C 0.510 176.764 176.300 -0.075 0.000 1.177 401 D CA 0.984 54.939 54.000 -0.075 0.000 0.830 401 D CB 1.168 41.941 40.800 -0.045 0.000 1.014 401 D HN 1.065 nan 8.370 nan 0.000 0.503 402 G N 0.408 109.028 108.800 -0.299 0.000 2.321 402 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 402 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 402 G C -2.069 172.403 174.900 -0.715 0.000 1.385 402 G CA -0.945 44.009 45.100 -0.244 0.000 0.856 402 G HN -0.012 nan 8.290 nan 0.000 0.584 403 F N 0.012 119.779 119.950 -0.305 0.000 2.581 403 F HA 0.697 5.224 4.527 -0.000 0.000 0.311 403 F C 0.171 175.382 175.800 -0.982 0.000 1.113 403 F CA -0.915 56.703 58.000 -0.636 0.000 0.935 403 F CB 2.571 41.064 39.000 -0.845 0.000 1.232 403 F HN 0.427 nan 8.300 nan 0.000 0.445 404 R N 3.337 123.362 120.500 -0.792 0.000 2.246 404 R HA 0.405 4.745 4.340 -0.000 0.000 0.332 404 R C -1.810 174.150 176.300 -0.567 0.000 0.974 404 R CA -0.440 55.139 56.100 -0.868 0.000 0.837 404 R CB 0.314 30.325 30.300 -0.480 0.000 1.145 404 R HN 0.571 nan 8.270 nan 0.000 0.467 405 F N 3.230 123.036 119.950 -0.240 0.000 2.405 405 F HA 0.110 4.636 4.527 -0.000 0.000 0.358 405 F C 0.867 176.627 175.800 -0.067 0.000 1.151 405 F CA -0.438 57.504 58.000 -0.096 0.000 1.161 405 F CB 0.523 39.492 39.000 -0.052 0.000 1.245 405 F HN 0.479 nan 8.300 nan 0.000 0.545 406 D N 4.034 124.469 120.400 0.058 0.000 2.493 406 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 406 D C 0.559 176.873 176.300 0.023 0.000 1.142 406 D CA 0.315 54.316 54.000 0.003 0.000 0.872 406 D CB 0.519 41.352 40.800 0.055 0.000 1.173 406 D HN 0.582 nan 8.370 nan 0.000 0.467 407 L N 3.572 124.726 121.223 -0.114 0.000 3.879 407 L HA -0.254 4.086 4.340 -0.000 0.000 0.481 407 L C 1.480 178.383 176.870 0.054 0.000 1.232 407 L CA -0.198 54.594 54.840 -0.080 0.000 0.736 407 L CB -1.133 40.924 42.059 -0.004 0.000 1.511 407 L HN 0.716 nan 8.230 nan 0.000 0.830 408 L N 0.615 121.878 121.223 0.067 0.000 2.081 408 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 408 L C 2.273 179.210 176.870 0.111 0.000 1.080 408 L CA 2.266 57.168 54.840 0.102 0.000 0.754 408 L CB -0.198 41.914 42.059 0.089 0.000 0.893 408 L HN 0.689 nan 8.230 nan 0.000 0.433 409 G N -0.199 108.690 108.800 0.149 0.000 2.501 409 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 409 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 409 G C 1.403 176.384 174.900 0.135 0.000 1.114 409 G CA 0.317 45.520 45.100 0.173 0.000 0.757 409 G HN 0.339 nan 8.290 nan 0.000 0.559 410 I N 0.040 120.685 120.570 0.124 0.000 2.617 410 I HA 0.131 4.301 4.170 -0.000 0.000 0.256 410 I C 0.968 177.139 176.117 0.090 0.000 1.167 410 I CA 0.101 61.470 61.300 0.116 0.000 1.469 410 I CB -0.719 37.364 38.000 0.138 0.000 1.098 410 I HN 0.006 nan 8.210 nan 0.000 0.436 411 L N 1.792 123.062 121.223 0.079 0.000 2.436 411 L HA 0.072 4.412 4.340 -0.000 0.000 0.265 411 L C 0.663 177.543 176.870 0.017 0.000 1.168 411 L CA 0.139 55.001 54.840 0.037 0.000 0.815 411 L CB 0.079 42.137 42.059 -0.001 0.000 1.109 411 L HN 0.213 nan 8.230 nan 0.000 0.462 412 D N 1.616 122.010 120.400 -0.009 0.000 2.225 412 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 412 D C 1.267 177.553 176.300 -0.024 0.000 1.052 412 D CA -0.508 53.483 54.000 -0.015 0.000 0.909 412 D CB 1.465 42.246 40.800 -0.032 0.000 1.186 412 D HN 0.570 nan 8.370 nan 0.000 0.431 413 I N 0.714 121.277 120.570 -0.012 0.000 2.208 413 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 413 I C 1.213 177.320 176.117 -0.016 0.000 1.097 413 I CA 1.573 62.869 61.300 -0.007 0.000 1.363 413 I CB 0.067 38.071 38.000 0.007 0.000 1.051 413 I HN 0.296 nan 8.210 nan 0.000 0.413 414 D N 0.347 120.732 120.400 -0.025 0.000 2.123 414 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 414 D C 2.167 178.463 176.300 -0.007 0.000 0.992 414 D CA 1.866 55.852 54.000 -0.024 0.000 0.833 414 D CB -0.425 40.342 40.800 -0.056 0.000 0.954 414 D HN 0.367 nan 8.370 nan 0.000 0.455 415 T N 0.452 114.986 114.554 -0.033 0.000 2.708 415 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 415 T C 2.246 176.938 174.700 -0.013 0.000 1.037 415 T CA 0.814 62.905 62.100 -0.015 0.000 1.146 415 T CB -0.334 68.502 68.868 -0.053 0.000 0.865 415 T HN -0.032 nan 8.240 nan 0.000 0.435 416 V N 1.601 121.469 119.914 -0.077 0.000 2.287 416 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 416 V C 2.472 178.514 176.094 -0.087 0.000 1.053 416 V CA 1.561 63.770 62.300 -0.152 0.000 1.027 416 V CB -0.666 31.057 31.823 -0.165 0.000 0.646 416 V HN 0.453 nan 8.190 nan 0.000 0.447 417 L N -1.572 119.638 121.223 -0.020 0.000 2.141 417 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 417 L C 2.425 179.316 176.870 0.034 0.000 1.094 417 L CA 1.798 56.641 54.840 0.006 0.000 0.763 417 L CB -0.636 41.437 42.059 0.024 0.000 0.908 417 L HN 0.408 nan 8.230 nan 0.000 0.437 418 Y N 1.542 121.800 120.300 -0.069 0.000 2.163 418 Y HA -0.336 4.214 4.550 -0.000 0.000 0.288 418 Y C 2.741 178.605 175.900 -0.059 0.000 1.136 418 Y CA 2.032 60.096 58.100 -0.060 0.000 1.147 418 Y CB -0.018 38.402 38.460 -0.066 0.000 0.987 418 Y HN 0.239 nan 8.280 nan 0.000 0.509 419 M N 0.466 120.023 119.600 -0.072 0.000 2.254 419 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 419 M C 1.919 178.135 176.300 -0.141 0.000 1.066 419 M CA 1.824 57.026 55.300 -0.163 0.000 1.123 419 M CB -0.640 31.883 32.600 -0.127 0.000 1.388 419 M HN 0.049 nan 8.290 nan 0.000 0.425 420 K N 0.500 120.839 120.400 -0.101 0.000 2.057 420 K HA -0.231 4.089 4.320 -0.000 0.000 0.207 420 K C 2.171 178.735 176.600 -0.060 0.000 1.049 420 K CA 1.968 58.221 56.287 -0.056 0.000 0.931 420 K CB -0.266 32.209 32.500 -0.041 0.000 0.714 420 K HN 0.702 nan 8.250 nan 0.000 0.440 421 E N 0.735 120.877 120.200 -0.096 0.000 2.058 421 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 421 E C 1.780 178.309 176.600 -0.117 0.000 0.997 421 E CA 1.476 57.817 56.400 -0.097 0.000 0.801 421 E CB 0.141 29.770 29.700 -0.119 0.000 0.746 421 E HN 0.245 nan 8.360 nan 0.000 0.450 422 K N -0.101 120.180 120.400 -0.197 0.000 2.097 422 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 422 K C 2.146 178.703 176.600 -0.072 0.000 1.050 422 K CA 0.926 57.114 56.287 -0.165 0.000 0.938 422 K CB -0.079 32.270 32.500 -0.253 0.000 0.718 422 K HN 0.129 nan 8.250 nan 0.000 0.442 423 A N 1.380 124.170 122.820 -0.051 0.000 1.873 423 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 423 A C 2.316 179.929 177.584 0.048 0.000 1.186 423 A CA 2.183 54.234 52.037 0.024 0.000 0.616 423 A CB -1.109 17.921 19.000 0.050 0.000 0.823 423 A HN 0.463 nan 8.150 nan 0.000 0.442 424 T N -1.862 112.710 114.554 0.030 0.000 2.915 424 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 424 T C 1.813 176.526 174.700 0.020 0.000 1.071 424 T CA 1.590 63.711 62.100 0.036 0.000 1.132 424 T CB -0.222 68.663 68.868 0.028 0.000 0.878 424 T HN 0.519 nan 8.240 nan 0.000 0.479 425 K N 1.406 121.807 120.400 0.001 0.000 2.062 425 K HA 0.132 4.452 4.320 -0.000 0.000 0.205 425 K C 2.576 179.179 176.600 0.005 0.000 1.051 425 K CA 1.047 57.332 56.287 -0.003 0.000 0.941 425 K CB -0.520 31.968 32.500 -0.020 0.000 0.719 425 K HN 0.398 nan 8.250 nan 0.000 0.440 426 A N 0.634 123.460 122.820 0.011 0.000 2.014 426 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 426 A C 0.812 178.408 177.584 0.020 0.000 1.163 426 A CA 0.987 53.034 52.037 0.018 0.000 0.652 426 A CB 0.188 19.207 19.000 0.031 0.000 0.808 426 A HN 0.070 nan 8.150 nan 0.000 0.449 427 K N 0.032 120.452 120.400 0.033 0.000 2.803 427 K HA 0.309 4.629 4.320 -0.000 0.000 0.229 427 K C -3.295 173.331 176.600 0.043 0.000 1.084 427 K CA -1.931 54.375 56.287 0.032 0.000 1.063 427 K CB 1.482 34.011 32.500 0.047 0.000 1.254 427 K HN 0.011 nan 8.250 nan 0.000 0.551 428 P HA 0.068 nan 4.420 nan 0.000 0.265 428 P C 0.739 178.076 177.300 0.063 0.000 1.193 428 P CA 0.902 64.026 63.100 0.040 0.000 0.765 428 P CB 0.715 32.431 31.700 0.027 0.000 0.823 429 G N 2.429 111.277 108.800 0.079 0.000 2.195 429 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.246 429 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.246 429 G C 0.339 175.330 174.900 0.152 0.000 0.984 429 G CA 0.130 45.307 45.100 0.129 0.000 0.633 429 G HN 0.675 nan 8.290 nan 0.000 0.525 430 I N -0.181 120.458 120.570 0.115 0.000 2.892 430 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 430 I C 0.716 176.897 176.117 0.106 0.000 1.205 430 I CA -0.424 60.943 61.300 0.112 0.000 1.409 430 I CB 0.404 38.484 38.000 0.134 0.000 1.367 430 I HN 0.012 nan 8.210 nan 0.000 0.597 431 L N 6.003 127.276 121.223 0.084 0.000 2.289 431 L HA 0.518 4.858 4.340 -0.000 0.000 0.285 431 L C -0.449 176.549 176.870 0.214 0.000 1.049 431 L CA -0.487 54.424 54.840 0.118 0.000 0.804 431 L CB 1.197 43.281 42.059 0.043 0.000 1.195 431 L HN 0.564 nan 8.230 nan 0.000 0.428 432 L N 5.461 126.837 121.223 0.256 0.000 2.406 432 L HA 0.592 4.932 4.340 -0.000 0.000 0.270 432 L C -0.798 176.207 176.870 0.225 0.000 0.982 432 L CA -0.424 54.567 54.840 0.252 0.000 0.843 432 L CB 1.273 43.481 42.059 0.249 0.000 1.225 432 L HN 0.507 nan 8.230 nan 0.000 0.412 433 F N 0.736 120.712 119.950 0.042 0.000 2.779 433 F HA 0.999 5.526 4.527 -0.000 0.000 0.316 433 F C -0.128 175.625 175.800 -0.077 0.000 1.164 433 F CA -0.802 57.081 58.000 -0.194 0.000 0.924 433 F CB 1.593 40.375 39.000 -0.365 0.000 1.348 433 F HN 0.479 nan 8.300 nan 0.000 0.467 434 G N -0.201 108.571 108.800 -0.046 0.000 2.342 434 G HA2 0.443 4.403 3.960 -0.000 0.000 0.297 434 G HA3 0.443 4.403 3.960 -0.000 0.000 0.297 434 G C -2.301 172.754 174.900 0.259 0.000 1.313 434 G CA -0.729 44.436 45.100 0.109 0.000 0.830 434 G HN 1.002 nan 8.290 nan 0.000 0.506 435 E N 0.026 120.363 120.200 0.227 0.000 1.996 435 E HA 0.450 4.800 4.350 -0.000 0.000 0.280 435 E C 0.623 177.290 176.600 0.112 0.000 1.092 435 E CA -0.406 56.042 56.400 0.080 0.000 0.862 435 E CB 1.120 30.491 29.700 -0.548 0.000 1.066 435 E HN 0.717 nan 8.360 nan 0.000 0.396 436 G N 4.481 113.537 108.800 0.427 0.000 3.581 436 G HA2 0.008 3.968 3.960 -0.000 0.000 0.255 436 G HA3 0.008 3.968 3.960 -0.000 0.000 0.255 436 G C -0.556 174.605 174.900 0.435 0.000 1.121 436 G CA -0.678 44.707 45.100 0.476 0.000 1.739 436 G HN 0.441 nan 8.290 nan 0.000 0.646 437 W N 0.207 121.599 121.300 0.155 0.000 2.181 437 W HA 0.254 4.914 4.660 -0.000 0.000 0.335 437 W C 0.117 176.680 176.519 0.073 0.000 1.310 437 W CA -1.394 56.005 57.345 0.091 0.000 1.226 437 W CB 0.496 29.993 29.460 0.063 0.000 1.155 437 W HN 0.278 nan 8.180 nan 0.000 0.565 438 D N 3.262 123.805 120.400 0.238 0.000 2.411 438 D HA 0.348 4.988 4.640 -0.000 0.000 0.225 438 D C -0.636 175.737 176.300 0.122 0.000 1.156 438 D CA 0.031 54.118 54.000 0.145 0.000 0.874 438 D CB 0.021 40.868 40.800 0.078 0.000 1.034 438 D HN 0.141 nan 8.370 nan 0.000 0.502 439 L N 2.151 123.462 121.223 0.147 0.000 2.332 439 L HA 0.621 4.961 4.340 -0.000 0.000 0.269 439 L C 0.638 177.556 176.870 0.081 0.000 1.016 439 L CA -1.539 53.373 54.840 0.120 0.000 0.809 439 L CB 1.628 43.787 42.059 0.167 0.000 1.280 439 L HN 0.374 nan 8.230 nan 0.000 0.447 440 A N 1.035 123.889 122.820 0.057 0.000 3.026 440 A HA 0.313 4.633 4.320 -0.000 0.000 0.272 440 A C 0.168 177.781 177.584 0.048 0.000 1.782 440 A CA 0.082 52.144 52.037 0.042 0.000 1.451 440 A CB -0.728 18.285 19.000 0.023 0.000 1.081 440 A HN 0.597 nan 8.150 nan 0.000 0.611 441 T N 1.785 116.374 114.554 0.058 0.000 2.888 441 T HA 0.546 4.896 4.350 -0.000 0.000 0.284 441 T C -2.710 172.018 174.700 0.047 0.000 1.017 441 T CA -1.951 60.183 62.100 0.056 0.000 1.022 441 T CB 1.238 70.148 68.868 0.070 0.000 1.013 441 T HN 0.269 nan 8.240 nan 0.000 0.465 442 P HA 0.229 nan 4.420 nan 0.000 0.238 442 P C -1.021 176.295 177.300 0.027 0.000 1.679 442 P CA 0.175 63.296 63.100 0.034 0.000 1.080 442 P CB -0.475 31.246 31.700 0.036 0.000 1.961 443 L N 2.771 124.011 121.223 0.030 0.000 2.422 443 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 443 L C -2.449 174.434 176.870 0.020 0.000 0.984 443 L CA -2.722 52.127 54.840 0.017 0.000 0.819 443 L CB 2.845 44.914 42.059 0.017 0.000 1.330 443 L HN -0.101 nan 8.230 nan 0.000 0.410 444 P HA 0.040 nan 4.420 nan 0.000 0.268 444 P C 0.116 177.393 177.300 -0.038 0.000 1.205 444 P CA -0.076 63.017 63.100 -0.013 0.000 0.771 444 P CB 0.460 32.124 31.700 -0.060 0.000 0.858 445 H N 2.658 121.734 119.070 0.010 0.000 2.394 445 H HA -0.218 4.338 4.556 -0.000 0.000 0.297 445 H C 1.218 176.555 175.328 0.013 0.000 1.113 445 H CA 2.032 58.088 56.048 0.013 0.000 1.277 445 H CB -0.409 29.357 29.762 0.008 0.000 1.370 445 H HN 0.450 nan 8.280 nan 0.000 0.506 446 E N 0.927 120.660 120.200 -0.778 0.000 2.502 446 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 446 E C 1.299 177.794 176.600 -0.175 0.000 1.062 446 E CA 0.552 56.693 56.400 -0.433 0.000 0.867 446 E CB -0.043 29.377 29.700 -0.468 0.000 0.888 446 E HN 0.779 nan 8.360 nan 0.000 0.510 447 Q N 0.523 120.245 119.800 -0.129 0.000 2.319 447 Q HA 0.150 4.490 4.340 -0.000 0.000 0.209 447 Q C -0.009 175.981 176.000 -0.017 0.000 0.884 447 Q CA 0.007 55.772 55.803 -0.062 0.000 0.938 447 Q CB 0.608 29.310 28.738 -0.060 0.000 1.098 447 Q HN 0.114 nan 8.270 nan 0.000 0.517 448 K N 0.829 121.232 120.400 0.005 0.000 2.298 448 K HA 0.288 4.608 4.320 -0.000 0.000 0.280 448 K C -0.182 176.461 176.600 0.071 0.000 1.032 448 K CA -0.229 56.087 56.287 0.048 0.000 0.958 448 K CB 1.005 33.550 32.500 0.076 0.000 0.978 448 K HN -0.015 nan 8.250 nan 0.000 0.472 449 A N 2.640 125.514 122.820 0.090 0.000 2.958 449 A HA 0.256 4.576 4.320 -0.000 0.000 0.247 449 A C 0.271 178.005 177.584 0.250 0.000 1.679 449 A CA -0.177 51.947 52.037 0.144 0.000 1.345 449 A CB -0.640 18.412 19.000 0.087 0.000 1.013 449 A HN 0.707 nan 8.150 nan 0.000 0.641 450 A N -0.247 122.680 122.820 0.179 0.000 2.264 450 A HA 0.597 4.917 4.320 -0.000 0.000 0.304 450 A C 1.253 178.815 177.584 -0.036 0.000 1.100 450 A CA -0.542 51.594 52.037 0.165 0.000 0.839 450 A CB 0.357 19.432 19.000 0.124 0.000 1.121 450 A HN 0.622 nan 8.150 nan 0.000 0.496 451 L N 0.580 121.721 121.223 -0.136 0.000 2.043 451 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 451 L C 2.711 179.358 176.870 -0.372 0.000 1.075 451 L CA 2.067 56.589 54.840 -0.530 0.000 0.752 451 L CB -0.406 41.548 42.059 -0.175 0.000 0.891 451 L HN 0.876 nan 8.230 nan 0.000 0.432 452 A N -0.282 122.455 122.820 -0.140 0.000 2.032 452 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 452 A C 1.554 179.097 177.584 -0.069 0.000 1.165 452 A CA 1.910 53.904 52.037 -0.071 0.000 0.645 452 A CB -0.474 18.527 19.000 0.003 0.000 0.807 452 A HN 0.608 nan 8.150 nan 0.000 0.453 453 N N -0.410 118.240 118.700 -0.083 0.000 2.251 453 N HA 0.274 5.014 4.740 -0.000 0.000 0.217 453 N C 1.368 176.843 175.510 -0.058 0.000 1.124 453 N CA 0.713 53.741 53.050 -0.036 0.000 0.843 453 N CB 0.120 38.615 38.487 0.013 0.000 1.024 453 N HN 0.432 nan 8.380 nan 0.000 0.501 454 A N 2.103 124.791 122.820 -0.220 0.000 1.958 454 A HA -0.123 4.197 4.320 -0.000 0.000 0.221 454 A C -0.300 177.304 177.584 0.032 0.000 1.178 454 A CA 1.437 53.365 52.037 -0.183 0.000 0.642 454 A CB -1.277 17.480 19.000 -0.406 0.000 0.816 454 A HN 0.170 nan 8.150 nan 0.000 0.453 455 P HA -0.124 nan 4.420 nan 0.000 0.219 455 P C 1.255 178.585 177.300 0.049 0.000 1.146 455 P CA 1.057 64.178 63.100 0.035 0.000 0.808 455 P CB -0.034 31.678 31.700 0.020 0.000 0.779 456 R N -1.717 118.812 120.500 0.049 0.000 2.317 456 R HA 0.279 4.619 4.340 -0.000 0.000 0.208 456 R C 0.698 177.041 176.300 0.071 0.000 0.914 456 R CA 0.251 56.381 56.100 0.049 0.000 1.060 456 R CB -0.015 30.305 30.300 0.032 0.000 1.015 456 R HN 0.264 nan 8.270 nan 0.000 0.498 457 M N 1.905 121.574 119.600 0.114 0.000 3.003 457 M HA 0.243 4.723 4.480 -0.000 0.000 0.221 457 M C -2.418 173.964 176.300 0.136 0.000 1.126 457 M CA -1.786 53.596 55.300 0.136 0.000 0.778 457 M CB 1.670 34.406 32.600 0.226 0.000 1.380 457 M HN -0.260 nan 8.290 nan 0.000 0.508 458 P HA 0.107 nan 4.420 nan 0.000 0.268 458 P C 0.859 178.196 177.300 0.061 0.000 1.205 458 P CA 1.057 64.206 63.100 0.083 0.000 0.771 458 P CB 0.994 32.731 31.700 0.062 0.000 0.858 459 G N 1.979 110.812 108.800 0.054 0.000 2.175 459 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.244 459 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.244 459 G C -0.028 174.885 174.900 0.020 0.000 0.982 459 G CA -0.332 44.786 45.100 0.030 0.000 0.641 459 G HN 0.495 nan 8.290 nan 0.000 0.527 460 I N 1.434 122.015 120.570 0.017 0.000 2.433 460 I HA 0.632 4.802 4.170 -0.000 0.000 0.292 460 I C 0.919 176.942 176.117 -0.156 0.000 1.001 460 I CA -0.469 60.779 61.300 -0.086 0.000 1.119 460 I CB 1.072 38.977 38.000 -0.157 0.000 1.289 460 I HN 0.151 nan 8.210 nan 0.000 0.438 461 G N 4.991 113.665 108.800 -0.211 0.000 2.461 461 G HA2 0.726 4.686 3.960 -0.000 0.000 0.329 461 G HA3 0.726 4.686 3.960 -0.000 0.000 0.329 461 G C -1.455 173.133 174.900 -0.519 0.000 1.170 461 G CA -0.248 44.740 45.100 -0.186 0.000 0.935 461 G HN 0.297 nan 8.290 nan 0.000 0.492 462 F N -0.921 119.024 119.950 -0.008 0.000 2.565 462 F HA 0.448 4.975 4.527 -0.000 0.000 0.313 462 F C -0.410 175.359 175.800 -0.052 0.000 1.091 462 F CA -0.840 57.172 58.000 0.020 0.000 0.915 462 F CB 2.016 41.072 39.000 0.093 0.000 1.208 462 F HN 0.280 nan 8.300 nan 0.000 0.453 463 F N 2.179 122.233 119.950 0.173 0.000 2.578 463 F HA 0.061 4.588 4.527 -0.000 0.000 0.381 463 F C 1.084 177.046 175.800 0.270 0.000 1.069 463 F CA 0.010 58.032 58.000 0.037 0.000 1.231 463 F CB 0.247 39.137 39.000 -0.184 0.000 1.086 463 F HN 0.363 nan 8.300 nan 0.000 0.564 464 N N 3.948 122.944 118.700 0.493 0.000 2.663 464 N HA -0.001 4.739 4.740 -0.000 0.000 0.250 464 N C 0.427 176.190 175.510 0.423 0.000 1.129 464 N CA 0.007 53.300 53.050 0.404 0.000 0.995 464 N CB 0.104 38.797 38.487 0.344 0.000 1.324 464 N HN 0.501 nan 8.380 nan 0.000 0.512 465 D N 2.127 122.755 120.400 0.381 0.000 2.219 465 D HA -0.161 4.479 4.640 -0.000 0.000 0.205 465 D C 1.810 178.200 176.300 0.151 0.000 0.970 465 D CA 0.538 54.698 54.000 0.266 0.000 0.851 465 D CB 0.181 41.142 40.800 0.269 0.000 0.943 465 D HN 0.504 nan 8.370 nan 0.000 0.488 466 M N -0.218 119.479 119.600 0.161 0.000 2.059 466 M HA -0.148 4.332 4.480 -0.000 0.000 0.259 466 M C 1.987 178.396 176.300 0.182 0.000 1.072 466 M CA 1.378 56.756 55.300 0.129 0.000 1.117 466 M CB -0.977 31.681 32.600 0.096 0.000 1.320 466 M HN 0.071 nan 8.290 nan 0.000 0.408 467 F N 0.697 120.646 119.950 -0.002 0.000 2.161 467 F HA -0.303 4.224 4.527 -0.000 0.000 0.300 467 F C 2.652 178.430 175.800 -0.036 0.000 1.089 467 F CA 1.204 59.189 58.000 -0.025 0.000 1.282 467 F CB -0.259 38.728 39.000 -0.022 0.000 1.010 467 F HN 0.271 nan 8.300 nan 0.000 0.485 468 R N 0.728 121.230 120.500 0.003 0.000 2.080 468 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 468 R C 1.652 177.909 176.300 -0.071 0.000 1.137 468 R CA 2.371 58.332 56.100 -0.231 0.000 0.943 468 R CB -0.566 29.445 30.300 -0.483 0.000 0.846 468 R HN 0.215 nan 8.270 nan 0.000 0.431 469 D N 0.222 120.623 120.400 0.002 0.000 2.178 469 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 469 D C 1.721 178.071 176.300 0.084 0.000 0.974 469 D CA 1.340 55.361 54.000 0.036 0.000 0.841 469 D CB -0.229 40.600 40.800 0.049 0.000 0.953 469 D HN 0.411 nan 8.370 nan 0.000 0.478 470 A N 0.414 123.314 122.820 0.132 0.000 1.877 470 A HA -0.139 4.180 4.320 -0.000 0.000 0.216 470 A C 2.470 180.176 177.584 0.204 0.000 1.186 470 A CA 1.345 53.485 52.037 0.172 0.000 0.620 470 A CB -0.653 18.475 19.000 0.214 0.000 0.822 470 A HN 0.155 nan 8.150 nan 0.000 0.443 471 V N -0.134 119.894 119.914 0.189 0.000 2.302 471 V HA -0.160 3.960 4.120 -0.000 0.000 0.243 471 V C 2.527 178.749 176.094 0.213 0.000 1.036 471 V CA 2.236 64.657 62.300 0.202 0.000 1.020 471 V CB -0.542 31.312 31.823 0.053 0.000 0.657 471 V HN 0.681 nan 8.190 nan 0.000 0.453 472 K N -0.146 120.345 120.400 0.152 0.000 2.067 472 K HA 0.269 4.589 4.320 -0.000 0.000 0.203 472 K C 0.774 177.340 176.600 -0.057 0.000 1.048 472 K CA 1.219 57.534 56.287 0.047 0.000 0.954 472 K CB 0.337 32.805 32.500 -0.054 0.000 0.737 472 K HN 0.568 nan 8.250 nan 0.000 0.444 473 G N 0.829 109.627 108.800 -0.004 0.000 2.402 473 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.666 473 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.666 473 G C -1.465 173.443 174.900 0.013 0.000 1.402 473 G CA -0.674 44.430 45.100 0.007 0.000 0.920 473 G HN 0.304 nan 8.290 nan 0.000 0.651 474 N N -0.006 118.728 118.700 0.057 0.000 2.292 474 N HA 0.006 4.746 4.740 -0.000 0.000 0.258 474 N C 1.545 177.080 175.510 0.042 0.000 1.261 474 N CA 1.212 54.309 53.050 0.077 0.000 0.845 474 N CB 0.659 39.252 38.487 0.177 0.000 1.064 474 N HN 0.522 nan 8.380 nan 0.000 0.471 475 T N 3.780 118.349 114.554 0.026 0.000 2.985 475 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 475 T C 1.311 176.014 174.700 0.004 0.000 1.076 475 T CA 0.437 62.547 62.100 0.016 0.000 1.135 475 T CB -0.187 68.695 68.868 0.024 0.000 0.890 475 T HN 0.578 nan 8.240 nan 0.000 0.480 476 F N 1.920 121.746 119.950 -0.207 0.000 2.456 476 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 476 F C 0.664 176.213 175.800 -0.418 0.000 1.104 476 F CA 0.424 58.214 58.000 -0.350 0.000 1.435 476 F CB 0.132 38.826 39.000 -0.509 0.000 1.078 476 F HN 0.164 nan 8.300 nan 0.000 0.546 477 H N 1.410 120.441 119.070 -0.064 0.000 2.638 477 H HA 0.214 4.769 4.556 -0.000 0.000 0.303 477 H C 1.109 176.367 175.328 -0.116 0.000 1.034 477 H CA -0.609 55.358 56.048 -0.135 0.000 1.225 477 H CB 1.362 31.109 29.762 -0.026 0.000 1.394 477 H HN 0.073 nan 8.280 nan 0.000 0.477 478 L N 2.165 123.343 121.223 -0.075 0.000 2.010 478 L HA -0.271 4.069 4.340 -0.000 0.000 0.219 478 L C 2.287 179.128 176.870 -0.049 0.000 1.077 478 L CA 1.784 56.566 54.840 -0.097 0.000 0.773 478 L CB -0.322 41.599 42.059 -0.230 0.000 0.892 478 L HN 0.371 nan 8.230 nan 0.000 0.436 479 K N -0.223 120.156 120.400 -0.036 0.000 2.288 479 K HA 0.138 4.458 4.320 -0.000 0.000 0.201 479 K C 0.890 177.479 176.600 -0.018 0.000 1.048 479 K CA 0.671 56.941 56.287 -0.028 0.000 0.956 479 K CB -0.566 31.912 32.500 -0.036 0.000 0.746 479 K HN 0.320 nan 8.250 nan 0.000 0.461 480 A N 2.200 125.029 122.820 0.016 0.000 2.561 480 A HA 0.110 4.430 4.320 -0.000 0.000 0.234 480 A C 0.530 178.112 177.584 -0.003 0.000 1.055 480 A CA 0.380 52.434 52.037 0.027 0.000 0.756 480 A CB -0.121 18.941 19.000 0.103 0.000 0.986 480 A HN 0.348 nan 8.150 nan 0.000 0.505 481 T N 0.180 114.734 114.554 -0.000 0.000 2.924 481 T HA 0.769 5.119 4.350 -0.000 0.000 0.291 481 T C 0.248 174.965 174.700 0.029 0.000 1.045 481 T CA -0.102 61.991 62.100 -0.012 0.000 1.015 481 T CB 1.901 70.757 68.868 -0.020 0.000 1.103 481 T HN 1.237 nan 8.240 nan 0.000 0.496 482 G N -0.242 108.581 108.800 0.039 0.000 2.820 482 G HA2 0.507 4.467 3.960 -0.000 0.000 0.291 482 G HA3 0.507 4.467 3.960 -0.000 0.000 0.291 482 G C 0.069 175.065 174.900 0.161 0.000 1.323 482 G CA -1.079 44.089 45.100 0.114 0.000 1.055 482 G HN 0.654 nan 8.290 nan 0.000 0.520 483 F N 1.107 121.112 119.950 0.092 0.000 2.091 483 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 483 F C 2.653 178.522 175.800 0.115 0.000 1.103 483 F CA 2.462 60.529 58.000 0.111 0.000 1.228 483 F CB -0.152 38.915 39.000 0.112 0.000 0.984 483 F HN 0.340 nan 8.300 nan 0.000 0.477 484 A N 0.062 122.959 122.820 0.127 0.000 2.019 484 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 484 A C 2.033 179.603 177.584 -0.023 0.000 1.164 484 A CA 1.447 53.508 52.037 0.039 0.000 0.644 484 A CB -0.960 18.180 19.000 0.232 0.000 0.805 484 A HN 0.478 nan 8.150 nan 0.000 0.449 485 L N -1.473 119.746 121.223 -0.008 0.000 2.628 485 L HA 0.247 4.587 4.340 -0.000 0.000 0.229 485 L C 1.441 178.254 176.870 -0.095 0.000 1.137 485 L CA 0.562 55.371 54.840 -0.052 0.000 0.909 485 L CB -0.213 41.810 42.059 -0.059 0.000 1.137 485 L HN 0.577 nan 8.230 nan 0.000 0.470 486 G N 0.405 109.124 108.800 -0.135 0.000 2.144 486 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 486 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 486 G C 0.066 175.034 174.900 0.114 0.000 0.988 486 G CA -0.346 44.702 45.100 -0.087 0.000 0.659 486 G HN 0.345 nan 8.290 nan 0.000 0.522 487 N N 1.029 119.776 118.700 0.078 0.000 2.462 487 N HA 0.442 5.182 4.740 -0.000 0.000 0.242 487 N C 1.520 177.131 175.510 0.168 0.000 1.010 487 N CA 0.591 53.710 53.050 0.115 0.000 0.939 487 N CB 0.865 39.408 38.487 0.093 0.000 1.127 487 N HN 0.240 nan 8.380 nan 0.000 0.509 488 G N 2.493 111.354 108.800 0.102 0.000 2.534 488 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 488 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 488 G C 1.102 176.080 174.900 0.129 0.000 1.128 488 G CA 0.264 45.432 45.100 0.113 0.000 0.784 488 G HN 0.559 nan 8.290 nan 0.000 0.542 489 E N 1.226 121.486 120.200 0.099 0.000 2.265 489 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 489 E C 2.366 179.024 176.600 0.096 0.000 0.996 489 E CA 1.249 57.698 56.400 0.081 0.000 0.832 489 E CB -0.130 29.608 29.700 0.063 0.000 0.756 489 E HN 0.581 nan 8.360 nan 0.000 0.491 490 S N -0.699 115.085 115.700 0.140 0.000 2.572 490 S HA 0.427 4.897 4.470 -0.000 0.000 0.228 490 S C 1.733 176.390 174.600 0.095 0.000 0.963 490 S CA 0.235 58.512 58.200 0.128 0.000 0.939 490 S CB 0.745 64.038 63.200 0.155 0.000 0.804 490 S HN 0.207 nan 8.310 nan 0.000 0.480 491 A N 2.341 125.218 122.820 0.096 0.000 1.908 491 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 491 A C 2.261 179.747 177.584 -0.165 0.000 1.181 491 A CA 1.789 53.769 52.037 -0.096 0.000 0.627 491 A CB -0.811 18.200 19.000 0.019 0.000 0.818 491 A HN 0.593 nan 8.150 nan 0.000 0.445 492 Q N -0.672 119.089 119.800 -0.065 0.000 2.084 492 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 492 Q C 2.183 178.101 176.000 -0.136 0.000 0.978 492 Q CA 1.601 57.353 55.803 -0.085 0.000 0.844 492 Q CB -0.362 28.388 28.738 0.021 0.000 0.898 492 Q HN 0.599 nan 8.270 nan 0.000 0.426 493 A N -0.069 122.722 122.820 -0.049 0.000 1.933 493 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 493 A C 2.201 179.709 177.584 -0.126 0.000 1.175 493 A CA 1.509 53.536 52.037 -0.017 0.000 0.628 493 A CB -0.708 18.322 19.000 0.050 0.000 0.814 493 A HN 0.318 nan 8.150 nan 0.000 0.444 494 V N -0.651 119.184 119.914 -0.131 0.000 2.295 494 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 494 V C 2.560 178.422 176.094 -0.386 0.000 1.049 494 V CA 2.379 64.594 62.300 -0.142 0.000 1.024 494 V CB -0.623 31.091 31.823 -0.182 0.000 0.648 494 V HN 0.675 nan 8.190 nan 0.000 0.447 495 M N -0.167 119.161 119.600 -0.453 0.000 2.108 495 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 495 M C 2.087 177.875 176.300 -0.854 0.000 1.066 495 M CA 2.030 56.935 55.300 -0.659 0.000 1.107 495 M CB -0.879 31.295 32.600 -0.710 0.000 1.356 495 M HN 0.522 nan 8.290 nan 0.000 0.406 496 H N -0.497 118.063 119.070 -0.850 0.000 2.319 496 H HA 0.011 4.567 4.556 -0.000 0.000 0.299 496 H C 1.929 176.892 175.328 -0.609 0.000 1.092 496 H CA 2.106 57.770 56.048 -0.641 0.000 1.302 496 H CB -0.936 28.633 29.762 -0.321 0.000 1.373 496 H HN 0.452 nan 8.280 nan 0.000 0.497 497 G N 0.473 108.714 108.800 -0.931 0.000 2.418 497 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 497 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 497 G C 1.987 176.201 174.900 -1.143 0.000 1.158 497 G CA 0.853 44.944 45.100 -1.681 0.000 0.771 497 G HN 0.483 nan 8.290 nan 0.000 0.545 498 I N 1.330 121.425 120.570 -0.792 0.000 2.423 498 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 498 I C 2.765 178.684 176.117 -0.331 0.000 1.151 498 I CA 0.907 61.962 61.300 -0.408 0.000 1.421 498 I CB 0.000 37.668 38.000 -0.554 0.000 1.079 498 I HN 0.244 nan 8.210 nan 0.000 0.431 499 A N 0.171 122.782 122.820 -0.348 0.000 2.370 499 A HA 0.418 4.738 4.320 -0.000 0.000 0.238 499 A C 1.665 179.238 177.584 -0.018 0.000 1.289 499 A CA 0.591 52.562 52.037 -0.109 0.000 0.885 499 A CB -0.569 18.443 19.000 0.020 0.000 0.961 499 A HN 0.556 nan 8.150 nan 0.000 0.499 500 G N -1.624 107.117 108.800 -0.098 0.000 2.176 500 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 500 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 500 G C 0.660 175.504 174.900 -0.095 0.000 0.979 500 G CA 0.297 45.375 45.100 -0.037 0.000 0.641 500 G HN 1.273 nan 8.290 nan 0.000 0.530 501 S N -1.592 113.942 115.700 -0.275 0.000 3.521 501 S HA -0.238 4.231 4.470 -0.000 0.000 0.328 501 S C 1.153 175.689 174.600 -0.106 0.000 1.165 501 S CA 1.307 59.189 58.200 -0.530 0.000 0.941 501 S CB -1.496 61.456 63.200 -0.414 0.000 0.951 501 S HN 1.522 nan 8.310 nan 0.000 0.539 502 S N 0.948 116.722 115.700 0.124 0.000 2.537 502 S HA 0.529 4.999 4.470 -0.000 0.000 0.246 502 S C 0.642 175.393 174.600 0.252 0.000 1.036 502 S CA 0.123 58.424 58.200 0.168 0.000 1.041 502 S CB 0.792 64.065 63.200 0.121 0.000 0.799 502 S HN 1.499 nan 8.310 nan 0.000 0.456 503 G N 1.503 110.595 108.800 0.486 0.000 3.069 503 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.686 503 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.686 503 G C -1.265 173.733 174.900 0.164 0.000 1.161 503 G CA -0.945 44.297 45.100 0.237 0.000 0.804 503 G HN 0.358 nan 8.290 nan 0.000 0.608 504 W N 5.447 126.511 121.300 -0.393 0.000 2.740 504 W HA 0.399 5.059 4.660 -0.000 0.000 0.316 504 W C 0.531 176.905 176.519 -0.243 0.000 1.020 504 W CA -0.335 56.817 57.345 -0.321 0.000 1.278 504 W CB 0.453 29.642 29.460 -0.451 0.000 1.224 504 W HN 1.163 nan 8.180 nan 0.000 0.393 505 K N 1.687 121.820 120.400 -0.445 0.000 1.692 505 K HA -0.330 3.990 4.320 -0.000 0.000 0.132 505 K C 1.146 177.656 176.600 -0.150 0.000 1.028 505 K CA 2.231 58.328 56.287 -0.317 0.000 0.304 505 K CB -1.522 30.772 32.500 -0.344 0.000 0.686 505 K HN 0.397 nan 8.250 nan 0.000 0.815 506 A N 1.523 124.289 122.820 -0.089 0.000 2.167 506 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 506 A C 0.934 178.495 177.584 -0.037 0.000 1.151 506 A CA 0.598 52.607 52.037 -0.047 0.000 0.735 506 A CB -0.415 18.572 19.000 -0.021 0.000 0.802 506 A HN 0.254 nan 8.150 nan 0.000 0.467 507 L N 0.976 122.163 121.223 -0.060 0.000 2.313 507 L HA 0.435 4.775 4.340 -0.000 0.000 0.282 507 L C 0.704 177.530 176.870 -0.074 0.000 1.092 507 L CA -0.648 54.143 54.840 -0.081 0.000 0.831 507 L CB 1.007 42.939 42.059 -0.212 0.000 1.159 507 L HN 0.255 nan 8.230 nan 0.000 0.442 508 A N 5.931 128.758 122.820 0.011 0.000 2.407 508 A HA 0.471 4.791 4.320 -0.000 0.000 0.248 508 A C -2.203 175.464 177.584 0.139 0.000 1.082 508 A CA -1.102 50.963 52.037 0.048 0.000 0.785 508 A CB -0.332 18.694 19.000 0.042 0.000 1.020 508 A HN 0.476 nan 8.150 nan 0.000 0.489 509 P HA 0.018 nan 4.420 nan 0.000 0.266 509 P C 0.608 177.993 177.300 0.140 0.000 1.195 509 P CA -0.218 62.997 63.100 0.192 0.000 0.768 509 P CB 0.340 32.110 31.700 0.117 0.000 0.838 510 I N 1.881 122.515 120.570 0.107 0.000 2.494 510 I HA -0.001 4.169 4.170 -0.000 0.000 0.250 510 I C 1.068 177.188 176.117 0.005 0.000 1.112 510 I CA 1.357 62.676 61.300 0.031 0.000 1.438 510 I CB -0.605 37.374 38.000 -0.035 0.000 1.111 510 I HN 0.164 nan 8.210 nan 0.000 0.431 511 V N -3.624 116.305 119.914 0.024 0.000 3.049 511 V HA 0.452 4.572 4.120 -0.000 0.000 0.309 511 V C -2.356 173.774 176.094 0.060 0.000 1.148 511 V CA -1.479 60.841 62.300 0.033 0.000 0.990 511 V CB 1.535 33.406 31.823 0.080 0.000 1.039 511 V HN -0.218 nan 8.190 nan 0.000 0.430 512 P HA 0.013 nan 4.420 nan 0.000 0.215 512 P C 0.103 177.453 177.300 0.083 0.000 1.157 512 P CA 1.489 64.632 63.100 0.071 0.000 0.868 512 P CB 0.235 31.976 31.700 0.068 0.000 0.788 513 E N -2.304 117.951 120.200 0.093 0.000 2.312 513 E HA 0.185 4.535 4.350 -0.000 0.000 0.267 513 E C -1.948 174.715 176.600 0.105 0.000 0.894 513 E CA -2.248 54.212 56.400 0.101 0.000 0.773 513 E CB 1.091 30.856 29.700 0.109 0.000 1.241 513 E HN -0.027 nan 8.360 nan 0.000 0.432 514 P HA -0.165 nan 4.420 nan 0.000 0.220 514 P C 1.086 178.454 177.300 0.114 0.000 1.148 514 P CA 1.250 64.413 63.100 0.105 0.000 0.803 514 P CB 0.268 32.033 31.700 0.108 0.000 0.782 515 S N -0.611 115.173 115.700 0.141 0.000 2.507 515 S HA -0.129 4.340 4.470 -0.000 0.000 0.235 515 S C 1.762 176.379 174.600 0.027 0.000 0.988 515 S CA 0.684 58.935 58.200 0.084 0.000 0.944 515 S CB -0.965 62.253 63.200 0.031 0.000 0.762 515 S HN 0.296 nan 8.310 nan 0.000 0.526 516 Q N 0.673 120.518 119.800 0.075 0.000 2.282 516 Q HA 0.304 4.644 4.340 -0.000 0.000 0.206 516 Q C 0.066 176.139 176.000 0.122 0.000 0.878 516 Q CA -0.082 55.788 55.803 0.112 0.000 0.944 516 Q CB 0.551 29.416 28.738 0.211 0.000 1.100 516 Q HN 0.449 nan 8.270 nan 0.000 0.509 517 S N 1.413 117.156 115.700 0.071 0.000 2.461 517 S HA 0.305 4.775 4.470 -0.000 0.000 0.322 517 S C -0.270 174.337 174.600 0.011 0.000 1.063 517 S CA -0.639 57.608 58.200 0.077 0.000 1.120 517 S CB 0.264 63.518 63.200 0.089 0.000 0.968 517 S HN 0.124 nan 8.310 nan 0.000 0.467 518 I N 5.599 126.124 120.570 -0.074 0.000 2.308 518 I HA 0.242 4.412 4.170 -0.000 0.000 0.293 518 I C 0.020 176.190 176.117 0.089 0.000 1.078 518 I CA -0.428 60.739 61.300 -0.222 0.000 1.292 518 I CB -0.300 37.238 38.000 -0.770 0.000 1.423 518 I HN 0.541 nan 8.210 nan 0.000 0.493 519 N N 8.265 127.070 118.700 0.175 0.000 2.422 519 N HA 0.412 5.152 4.740 -0.000 0.000 0.264 519 N C -0.581 175.127 175.510 0.331 0.000 1.063 519 N CA -0.116 53.098 53.050 0.274 0.000 0.959 519 N CB 1.347 39.983 38.487 0.249 0.000 1.087 519 N HN 0.517 nan 8.380 nan 0.000 0.483 520 Y N -1.970 118.344 120.300 0.023 0.000 2.656 520 Y HA 0.493 5.043 4.550 -0.000 0.000 0.334 520 Y C -0.130 175.786 175.900 0.026 0.000 1.179 520 Y CA -1.225 56.938 58.100 0.105 0.000 1.050 520 Y CB 0.379 38.990 38.460 0.252 0.000 1.308 520 Y HN 0.053 nan 8.280 nan 0.000 0.456 521 V N -2.440 117.427 119.914 -0.078 0.000 3.411 521 V HA 0.502 4.622 4.120 -0.000 0.000 0.287 521 V C -0.227 175.926 176.094 0.098 0.000 1.543 521 V CA 0.653 62.891 62.300 -0.105 0.000 1.028 521 V CB 0.549 32.428 31.823 0.094 0.000 0.840 521 V HN 0.842 nan 8.190 nan 0.000 0.435 522 E N 0.740 121.092 120.200 0.253 0.000 2.366 522 E HA 0.696 5.046 4.350 -0.000 0.000 0.278 522 E C -0.920 175.908 176.600 0.380 0.000 0.923 522 E CA 0.283 56.852 56.400 0.282 0.000 0.761 522 E CB 2.574 32.453 29.700 0.299 0.000 1.231 522 E HN 0.539 nan 8.360 nan 0.000 0.443 523 S N 1.322 117.030 115.700 0.014 0.000 2.752 523 S HA 0.229 4.699 4.470 -0.000 0.000 0.284 523 S C 0.844 174.986 174.600 -0.763 0.000 1.189 523 S CA -0.399 57.698 58.200 -0.171 0.000 0.835 523 S CB 0.608 63.712 63.200 -0.160 0.000 1.192 523 S HN 0.806 nan 8.310 nan 0.000 0.506 524 H N -0.000 118.720 119.070 -0.583 0.000 2.457 524 H HA 0.118 4.674 4.556 -0.000 0.000 0.294 524 H C -0.449 174.667 175.328 -0.353 0.000 1.064 524 H CA 0.853 56.592 56.048 -0.515 0.000 1.330 524 H CB -0.593 28.801 29.762 -0.614 0.000 1.395 524 H HN 0.503 nan 8.280 nan 0.000 0.541 525 D N 1.700 121.548 120.400 -0.919 0.000 2.339 525 D HA 0.095 4.735 4.640 -0.000 0.000 0.245 525 D C 0.206 176.433 176.300 -0.122 0.000 1.115 525 D CA -0.018 53.721 54.000 -0.435 0.000 0.917 525 D CB 0.864 41.365 40.800 -0.500 0.000 1.192 525 D HN 0.395 nan 8.370 nan 0.000 0.428 526 N N -0.271 118.432 118.700 0.004 0.000 6.481 526 N HA -0.205 4.535 4.740 -0.000 0.000 0.407 526 N C -0.356 175.151 175.510 -0.005 0.000 0.969 526 N CA 0.346 53.376 53.050 -0.032 0.000 1.867 526 N CB -0.514 37.972 38.487 -0.001 0.000 0.742 526 N HN 0.510 nan 8.380 nan 0.000 0.489 527 H N 0.000 119.122 119.070 0.085 0.000 2.852 527 H HA 0.095 4.650 4.556 -0.000 0.000 0.362 527 H C 0.650 176.046 175.328 0.113 0.000 1.122 527 H CA 0.938 57.060 56.048 0.123 0.000 1.419 527 H CB 0.163 30.011 29.762 0.142 0.000 1.401 527 H HN 0.640 nan 8.280 nan 0.000 0.609 528 T N -0.959 113.775 114.554 0.301 0.000 2.802 528 T HA -0.041 4.309 4.350 -0.000 0.000 0.305 528 T C 1.444 176.317 174.700 0.288 0.000 1.053 528 T CA -0.588 61.682 62.100 0.284 0.000 1.058 528 T CB 0.489 69.555 68.868 0.330 0.000 0.988 528 T HN 0.468 nan 8.240 nan 0.000 0.539 529 F N 0.270 120.331 119.950 0.185 0.000 2.126 529 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 529 F C 2.122 178.017 175.800 0.158 0.000 1.096 529 F CA 1.356 59.444 58.000 0.147 0.000 1.255 529 F CB -0.298 38.788 39.000 0.143 0.000 0.997 529 F HN 0.764 nan 8.300 nan 0.000 0.479 530 W N 1.393 122.890 121.300 0.329 0.000 2.354 530 W HA -0.248 4.412 4.660 -0.000 0.000 0.315 530 W C 1.783 178.302 176.519 -0.000 0.000 1.206 530 W CA 2.069 59.528 57.345 0.190 0.000 1.290 530 W CB -0.600 28.965 29.460 0.173 0.000 1.152 530 W HN 0.037 nan 8.180 nan 0.000 0.489 531 D N 0.412 120.877 120.400 0.109 0.000 2.144 531 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 531 D C 1.865 177.993 176.300 -0.288 0.000 0.984 531 D CA 1.988 55.908 54.000 -0.134 0.000 0.834 531 D CB -0.460 40.414 40.800 0.123 0.000 0.955 531 D HN 0.102 nan 8.370 nan 0.000 0.465 532 K N 1.078 121.409 120.400 -0.115 0.000 1.991 532 K HA -0.128 4.192 4.320 -0.000 0.000 0.212 532 K C 2.050 178.503 176.600 -0.246 0.000 1.049 532 K CA 1.296 57.508 56.287 -0.124 0.000 0.932 532 K CB -0.617 31.794 32.500 -0.149 0.000 0.717 532 K HN 0.154 nan 8.250 nan 0.000 0.441 533 M N 0.188 119.549 119.600 -0.399 0.000 2.149 533 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 533 M C 1.556 177.594 176.300 -0.437 0.000 1.064 533 M CA 2.010 57.061 55.300 -0.415 0.000 1.102 533 M CB -0.135 32.219 32.600 -0.411 0.000 1.369 533 M HN 0.204 nan 8.290 nan 0.000 0.408 534 S N 0.147 115.484 115.700 -0.605 0.000 2.419 534 S HA -0.070 4.400 4.470 -0.000 0.000 0.233 534 S C 1.287 175.571 174.600 -0.525 0.000 1.016 534 S CA 1.095 58.895 58.200 -0.666 0.000 0.974 534 S CB -0.362 62.340 63.200 -0.831 0.000 0.786 534 S HN 0.520 nan 8.310 nan 0.000 0.492 535 F N 1.093 120.870 119.950 -0.288 0.000 2.387 535 F HA 0.312 4.839 4.527 -0.000 0.000 0.294 535 F C 2.353 178.037 175.800 -0.194 0.000 1.093 535 F CA 0.234 58.095 58.000 -0.232 0.000 1.420 535 F CB -0.746 38.091 39.000 -0.271 0.000 1.086 535 F HN 0.148 nan 8.300 nan 0.000 0.531 536 A N -0.781 122.017 122.820 -0.038 0.000 2.016 536 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 536 A C 0.794 178.319 177.584 -0.099 0.000 1.162 536 A CA 0.961 52.956 52.037 -0.071 0.000 0.662 536 A CB -0.344 18.593 19.000 -0.105 0.000 0.812 536 A HN 0.164 nan 8.150 nan 0.000 0.450 537 L N 0.528 121.661 121.223 -0.150 0.000 2.637 537 L HA 0.302 4.642 4.340 -0.000 0.000 0.241 537 L C -1.780 174.990 176.870 -0.167 0.000 1.398 537 L CA -1.219 53.530 54.840 -0.153 0.000 0.895 537 L CB 1.398 43.349 42.059 -0.180 0.000 1.183 537 L HN 0.084 nan 8.230 nan 0.000 0.497 538 P HA -0.152 nan 4.420 nan 0.000 0.225 538 P C 0.851 178.091 177.300 -0.101 0.000 1.148 538 P CA 0.912 63.943 63.100 -0.115 0.000 0.779 538 P CB 0.648 32.310 31.700 -0.063 0.000 0.780 539 Q N -0.535 119.209 119.800 -0.093 0.000 2.282 539 Q HA 0.158 4.498 4.340 -0.000 0.000 0.206 539 Q C 0.324 176.272 176.000 -0.086 0.000 0.878 539 Q CA 0.140 55.897 55.803 -0.077 0.000 0.944 539 Q CB 0.236 28.937 28.738 -0.061 0.000 1.100 539 Q HN 0.364 nan 8.270 nan 0.000 0.509 540 E N 0.945 121.076 120.200 -0.115 0.000 2.216 540 E HA 0.154 4.504 4.350 -0.000 0.000 0.279 540 E C -0.500 176.031 176.600 -0.115 0.000 0.997 540 E CA -0.603 55.727 56.400 -0.118 0.000 0.817 540 E CB 0.848 30.462 29.700 -0.144 0.000 1.096 540 E HN 0.301 nan 8.360 nan 0.000 0.393 541 N N 1.639 120.291 118.700 -0.080 0.000 2.399 541 N HA -0.038 4.702 4.740 -0.000 0.000 0.250 541 N C 0.202 175.688 175.510 -0.040 0.000 1.272 541 N CA -0.208 52.812 53.050 -0.049 0.000 0.928 541 N CB 0.610 39.081 38.487 -0.028 0.000 1.158 541 N HN 0.241 nan 8.380 nan 0.000 0.463 542 D N -0.324 120.092 120.400 0.026 0.000 2.133 542 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 542 D C 1.624 177.961 176.300 0.061 0.000 0.997 542 D CA 1.372 55.450 54.000 0.131 0.000 0.840 542 D CB -0.574 40.330 40.800 0.173 0.000 0.947 542 D HN 0.616 nan 8.370 nan 0.000 0.452 543 S N -0.131 115.578 115.700 0.015 0.000 2.359 543 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 543 S C 1.926 176.504 174.600 -0.036 0.000 1.035 543 S CA 1.166 59.359 58.200 -0.012 0.000 1.018 543 S CB 0.043 63.242 63.200 -0.002 0.000 0.876 543 S HN 0.171 nan 8.310 nan 0.000 0.448 544 R N 0.425 120.898 120.500 -0.046 0.000 2.092 544 R HA 0.047 4.387 4.340 -0.000 0.000 0.231 544 R C 2.559 178.815 176.300 -0.074 0.000 1.119 544 R CA 1.249 57.309 56.100 -0.067 0.000 0.970 544 R CB -0.174 30.076 30.300 -0.083 0.000 0.864 544 R HN 0.405 nan 8.270 nan 0.000 0.440 545 K N 0.266 120.608 120.400 -0.096 0.000 2.057 545 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 545 K C 2.142 178.752 176.600 0.015 0.000 1.049 545 K CA 1.115 57.317 56.287 -0.141 0.000 0.931 545 K CB -0.057 32.163 32.500 -0.468 0.000 0.714 545 K HN 0.144 nan 8.250 nan 0.000 0.440 546 R N 0.646 121.134 120.500 -0.020 0.000 2.081 546 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 546 R C 2.619 178.939 176.300 0.032 0.000 1.131 546 R CA 1.800 57.748 56.100 -0.253 0.000 0.960 546 R CB -0.363 29.594 30.300 -0.571 0.000 0.856 546 R HN 0.276 nan 8.270 nan 0.000 0.436 547 S N 0.626 116.325 115.700 -0.003 0.000 2.402 547 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 547 S C 1.957 176.572 174.600 0.025 0.000 1.021 547 S CA 0.649 58.850 58.200 0.001 0.000 0.974 547 S CB -0.174 63.003 63.200 -0.037 0.000 0.800 547 S HN 0.273 nan 8.310 nan 0.000 0.484 548 R N 0.863 121.382 120.500 0.032 0.000 2.075 548 R HA -0.023 4.317 4.340 -0.000 0.000 0.232 548 R C 2.737 179.081 176.300 0.074 0.000 1.126 548 R CA 1.522 57.654 56.100 0.054 0.000 0.963 548 R CB -0.385 29.953 30.300 0.064 0.000 0.858 548 R HN 0.630 nan 8.270 nan 0.000 0.435 549 Q N 0.759 120.633 119.800 0.123 0.000 2.119 549 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 549 Q C 1.974 177.940 176.000 -0.057 0.000 0.972 549 Q CA 1.287 57.036 55.803 -0.090 0.000 0.847 549 Q CB 0.174 29.112 28.738 0.334 0.000 0.903 549 Q HN 0.202 nan 8.270 nan 0.000 0.433 550 R N -0.118 120.472 120.500 0.150 0.000 2.092 550 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 550 R C 2.317 178.714 176.300 0.162 0.000 1.119 550 R CA 1.098 57.306 56.100 0.181 0.000 0.970 550 R CB -0.374 30.001 30.300 0.126 0.000 0.864 550 R HN 0.279 nan 8.270 nan 0.000 0.440 551 L N 0.898 122.172 121.223 0.084 0.000 2.046 551 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 551 L C 2.207 179.074 176.870 -0.005 0.000 1.077 551 L CA 1.887 56.776 54.840 0.082 0.000 0.747 551 L CB -0.660 41.436 42.059 0.061 0.000 0.896 551 L HN 0.093 nan 8.230 nan 0.000 0.432 552 A N -0.827 121.934 122.820 -0.098 0.000 1.972 552 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 552 A C 2.403 179.888 177.584 -0.165 0.000 1.169 552 A CA 2.103 54.036 52.037 -0.174 0.000 0.635 552 A CB -1.499 17.223 19.000 -0.464 0.000 0.810 552 A HN 0.497 nan 8.150 nan 0.000 0.446 553 V N -0.974 118.868 119.914 -0.121 0.000 2.379 553 V HA 0.093 4.213 4.120 -0.000 0.000 0.245 553 V C 2.759 178.852 176.094 -0.002 0.000 1.044 553 V CA 2.615 64.879 62.300 -0.060 0.000 1.036 553 V CB -1.271 30.540 31.823 -0.020 0.000 0.664 553 V HN 0.547 nan 8.190 nan 0.000 0.453 554 A N -0.207 122.658 122.820 0.074 0.000 1.930 554 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 554 A C 2.285 179.947 177.584 0.129 0.000 1.175 554 A CA 1.727 53.847 52.037 0.138 0.000 0.627 554 A CB -0.502 18.679 19.000 0.302 0.000 0.815 554 A HN 0.622 nan 8.150 nan 0.000 0.443 555 I N -0.084 120.449 120.570 -0.061 0.000 2.179 555 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 555 I C 2.228 178.386 176.117 0.069 0.000 1.088 555 I CA 0.994 62.234 61.300 -0.101 0.000 1.357 555 I CB -0.256 37.618 38.000 -0.210 0.000 1.051 555 I HN 0.252 nan 8.210 nan 0.000 0.409 556 I N 0.542 121.079 120.570 -0.056 0.000 2.202 556 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 556 I C 2.517 178.667 176.117 0.054 0.000 1.091 556 I CA 1.769 63.031 61.300 -0.062 0.000 1.368 556 I CB -1.012 36.911 38.000 -0.128 0.000 1.058 556 I HN 0.242 nan 8.210 nan 0.000 0.410 557 L N -0.036 121.201 121.223 0.024 0.000 2.201 557 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 557 L C 1.952 178.803 176.870 -0.032 0.000 1.105 557 L CA 0.887 55.726 54.840 -0.002 0.000 0.775 557 L CB -0.243 41.786 42.059 -0.051 0.000 0.913 557 L HN 0.215 nan 8.230 nan 0.000 0.440 558 L N -0.695 120.547 121.223 0.032 0.000 2.700 558 L HA 0.309 4.649 4.340 -0.000 0.000 0.234 558 L C 0.802 177.881 176.870 0.349 0.000 1.156 558 L CA -0.525 54.322 54.840 0.011 0.000 0.946 558 L CB -0.075 42.034 42.059 0.083 0.000 1.216 558 L HN 0.053 nan 8.230 nan 0.000 0.493 559 A N -0.056 122.927 122.820 0.272 0.000 2.293 559 A HA 0.510 4.830 4.320 -0.000 0.000 0.302 559 A C 0.042 177.767 177.584 0.235 0.000 1.119 559 A CA -0.467 51.727 52.037 0.262 0.000 0.823 559 A CB 0.598 19.823 19.000 0.376 0.000 1.097 559 A HN 0.125 nan 8.150 nan 0.000 0.491 560 Q N 0.163 120.063 119.800 0.167 0.000 2.352 560 Q HA 0.497 4.837 4.340 -0.000 0.000 0.260 560 Q C 0.625 176.706 176.000 0.136 0.000 0.976 560 Q CA 1.244 57.137 55.803 0.149 0.000 0.881 560 Q CB 1.083 29.882 28.738 0.102 0.000 1.235 560 Q HN 1.541 nan 8.270 nan 0.000 0.419 561 G N -0.100 108.782 108.800 0.136 0.000 2.280 561 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.277 561 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.277 561 G C -1.492 173.474 174.900 0.110 0.000 1.288 561 G CA -0.637 44.536 45.100 0.122 0.000 1.075 561 G HN 0.410 nan 8.290 nan 0.000 0.480 562 V N 2.988 122.941 119.914 0.065 0.000 2.293 562 V HA 0.509 4.628 4.120 -0.000 0.000 0.275 562 V C -1.827 174.288 176.094 0.034 0.000 1.021 562 V CA -1.105 61.201 62.300 0.010 0.000 0.815 562 V CB 1.404 33.152 31.823 -0.126 0.000 1.025 562 V HN 0.647 nan 8.190 nan 0.000 0.448 563 P HA 0.198 nan 4.420 nan 0.000 0.271 563 P C -1.030 176.365 177.300 0.157 0.000 1.216 563 P CA -0.012 63.157 63.100 0.114 0.000 0.771 563 P CB 0.871 32.619 31.700 0.081 0.000 0.864 564 F N 4.395 124.371 119.950 0.043 0.000 2.539 564 F HA 0.563 5.090 4.527 -0.000 0.000 0.318 564 F C -1.193 174.689 175.800 0.137 0.000 1.135 564 F CA -1.075 56.968 58.000 0.072 0.000 0.915 564 F CB 1.172 40.216 39.000 0.073 0.000 1.176 564 F HN 0.126 nan 8.300 nan 0.000 0.440 565 I N 5.844 126.289 120.570 -0.208 0.000 2.465 565 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 565 I C -0.519 175.414 176.117 -0.308 0.000 1.014 565 I CA -0.799 60.448 61.300 -0.088 0.000 1.093 565 I CB 1.763 39.787 38.000 0.039 0.000 1.267 565 I HN 0.602 nan 8.210 nan 0.000 0.431 566 H N 5.246 124.199 119.070 -0.195 0.000 2.646 566 H HA 0.167 4.723 4.556 -0.000 0.000 0.325 566 H C 0.089 175.171 175.328 -0.409 0.000 1.075 566 H CA -0.250 55.649 56.048 -0.249 0.000 1.421 566 H CB 1.325 31.086 29.762 -0.001 0.000 1.461 566 H HN 0.601 nan 8.280 nan 0.000 0.525 567 S N 2.862 117.917 115.700 -1.075 0.000 2.575 567 S HA 0.116 4.585 4.470 -0.000 0.000 0.295 567 S C 1.274 175.388 174.600 -0.810 0.000 1.267 567 S CA 1.021 58.575 58.200 -1.078 0.000 1.074 567 S CB -0.455 62.254 63.200 -0.819 0.000 0.829 567 S HN 1.037 nan 8.310 nan 0.000 0.497 568 G N 3.736 112.105 108.800 -0.719 0.000 2.213 568 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.236 568 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.236 568 G C 0.818 175.110 174.900 -1.013 0.000 0.991 568 G CA 0.680 45.006 45.100 -1.290 0.000 0.629 568 G HN 0.703 nan 8.290 nan 0.000 0.517 569 Q N 0.691 120.177 119.800 -0.524 0.000 2.135 569 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 569 Q C 2.551 178.301 176.000 -0.416 0.000 0.981 569 Q CA 2.005 57.636 55.803 -0.286 0.000 0.856 569 Q CB -0.222 28.460 28.738 -0.092 0.000 0.902 569 Q HN 0.765 nan 8.270 nan 0.000 0.425 570 E N 0.339 120.297 120.200 -0.403 0.000 2.267 570 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 570 E C 0.542 176.873 176.600 -0.449 0.000 0.998 570 E CA 1.029 57.240 56.400 -0.314 0.000 0.830 570 E CB -0.317 29.334 29.700 -0.082 0.000 0.751 570 E HN 0.565 nan 8.360 nan 0.000 0.491 571 F N -1.567 118.122 119.950 -0.435 0.000 2.879 571 F HA 0.454 4.981 4.527 -0.000 0.000 0.354 571 F C -0.709 174.759 175.800 -0.552 0.000 1.291 571 F CA -2.061 55.620 58.000 -0.530 0.000 1.238 571 F CB -0.682 38.257 39.000 -0.102 0.000 1.005 571 F HN -0.239 nan 8.300 nan 0.000 0.508 572 F N -0.293 119.546 119.950 -0.185 0.000 3.067 572 F HA -0.270 4.257 4.527 -0.000 0.000 0.279 572 F C 1.166 176.828 175.800 -0.230 0.000 0.945 572 F CA 0.605 58.437 58.000 -0.281 0.000 0.948 572 F CB -1.803 36.690 39.000 -0.845 0.000 0.898 572 F HN 0.521 nan 8.300 nan 0.000 0.746 573 R N 0.865 121.317 120.500 -0.081 0.000 2.523 573 R HA 0.196 4.536 4.340 -0.000 0.000 0.281 573 R C 0.409 176.789 176.300 0.133 0.000 0.969 573 R CA 1.168 57.265 56.100 -0.005 0.000 1.093 573 R CB 0.577 30.799 30.300 -0.129 0.000 0.917 573 R HN 0.310 nan 8.270 nan 0.000 0.408 574 T N 2.731 117.363 114.554 0.130 0.000 2.893 574 T HA 0.336 4.686 4.350 -0.000 0.000 0.291 574 T C -0.206 174.599 174.700 0.174 0.000 1.028 574 T CA -0.828 61.395 62.100 0.205 0.000 0.995 574 T CB 1.253 70.235 68.868 0.191 0.000 1.051 574 T HN 0.705 nan 8.240 nan 0.000 0.470 575 K N 2.305 122.825 120.400 0.200 0.000 2.618 575 K HA 0.192 4.511 4.320 -0.000 0.000 0.207 575 K C -0.051 176.637 176.600 0.146 0.000 1.058 575 K CA -0.265 56.118 56.287 0.161 0.000 1.086 575 K CB 0.435 33.046 32.500 0.184 0.000 0.827 575 K HN 0.519 nan 8.250 nan 0.000 0.481 576 Q N -0.459 119.428 119.800 0.145 0.000 2.494 576 Q HA -0.206 4.134 4.340 -0.000 0.000 0.272 576 Q C 0.656 176.752 176.000 0.160 0.000 1.145 576 Q CA 1.247 57.124 55.803 0.124 0.000 0.943 576 Q CB -2.119 26.672 28.738 0.087 0.000 1.338 576 Q HN 0.757 nan 8.270 nan 0.000 0.492 577 G N -2.775 106.157 108.800 0.220 0.000 2.179 577 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 577 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 577 G C 0.150 175.329 174.900 0.465 0.000 0.977 577 G CA -0.061 45.264 45.100 0.375 0.000 0.641 577 G HN 0.612 nan 8.290 nan 0.000 0.533 578 V N 1.042 121.131 119.914 0.291 0.000 2.521 578 V HA 0.269 4.389 4.120 -0.000 0.000 0.286 578 V C 1.550 177.713 176.094 0.116 0.000 1.034 578 V CA 1.187 63.592 62.300 0.175 0.000 1.045 578 V CB 1.531 33.402 31.823 0.080 0.000 0.974 578 V HN 0.551 nan 8.190 nan 0.000 0.480 579 E N 4.408 124.541 120.200 -0.112 0.000 2.122 579 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 579 E C 0.967 177.482 176.600 -0.142 0.000 0.977 579 E CA 0.541 56.636 56.400 -0.508 0.000 0.820 579 E CB 0.225 29.528 29.700 -0.661 0.000 0.770 579 E HN 0.792 nan 8.360 nan 0.000 0.462 580 N N 0.290 118.980 118.700 -0.017 0.000 2.716 580 N HA 0.051 4.791 4.740 -0.000 0.000 0.253 580 N C -0.607 174.891 175.510 -0.019 0.000 1.170 580 N CA -0.075 53.035 53.050 0.101 0.000 0.807 580 N CB 0.979 39.537 38.487 0.120 0.000 1.183 580 N HN 0.004 nan 8.380 nan 0.000 0.524 581 S N 1.981 117.640 115.700 -0.069 0.000 2.763 581 S HA -0.064 4.406 4.470 -0.000 0.000 0.237 581 S C 1.470 175.542 174.600 -0.879 0.000 0.966 581 S CA -0.479 57.542 58.200 -0.299 0.000 1.017 581 S CB -0.782 62.395 63.200 -0.040 0.000 0.780 581 S HN 0.690 nan 8.310 nan 0.000 0.476 582 Y N 2.145 121.534 120.300 -1.518 0.000 2.241 582 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 582 Y C 1.781 177.298 175.900 -0.639 0.000 1.166 582 Y CA 1.635 58.696 58.100 -1.731 0.000 1.203 582 Y CB -0.844 37.071 38.460 -0.909 0.000 0.977 582 Y HN 0.639 nan 8.280 nan 0.000 0.529 583 Q N 0.002 119.188 119.800 -1.023 0.000 2.112 583 Q HA 0.381 4.721 4.340 -0.000 0.000 0.222 583 Q C -0.241 175.542 176.000 -0.361 0.000 0.798 583 Q CA -0.202 55.270 55.803 -0.552 0.000 1.060 583 Q CB 0.324 28.617 28.738 -0.741 0.000 1.184 583 Q HN 0.197 nan 8.270 nan 0.000 0.475 584 S N 1.850 117.289 115.700 -0.435 0.000 2.600 584 S HA 0.243 4.713 4.470 -0.000 0.000 0.265 584 S C 0.360 174.730 174.600 -0.383 0.000 1.325 584 S CA -0.115 57.873 58.200 -0.353 0.000 1.002 584 S CB 1.106 64.116 63.200 -0.317 0.000 0.921 584 S HN 0.584 nan 8.310 nan 0.000 0.554 585 S N 0.803 116.353 115.700 -0.250 0.000 2.596 585 S HA 0.105 4.575 4.470 -0.000 0.000 0.260 585 S C 0.509 174.944 174.600 -0.276 0.000 1.336 585 S CA -0.475 57.609 58.200 -0.193 0.000 0.993 585 S CB 0.215 63.356 63.200 -0.099 0.000 0.923 585 S HN 0.646 nan 8.310 nan 0.000 0.567 586 D N 0.977 121.287 120.400 -0.150 0.000 2.218 586 D HA -0.052 4.588 4.640 -0.000 0.000 0.204 586 D C 1.925 178.186 176.300 -0.064 0.000 0.976 586 D CA 1.156 55.097 54.000 -0.099 0.000 0.853 586 D CB -0.386 40.432 40.800 0.030 0.000 0.939 586 D HN 0.567 nan 8.370 nan 0.000 0.481 587 S N 0.474 116.140 115.700 -0.056 0.000 2.399 587 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 587 S C 1.969 176.555 174.600 -0.023 0.000 1.022 587 S CA 0.472 58.658 58.200 -0.023 0.000 0.983 587 S CB 0.190 63.377 63.200 -0.022 0.000 0.803 587 S HN 0.246 nan 8.310 nan 0.000 0.480 588 I N 1.972 122.497 120.570 -0.075 0.000 2.339 588 I HA 0.018 4.188 4.170 -0.000 0.000 0.245 588 I C 1.683 177.763 176.117 -0.062 0.000 1.096 588 I CA 1.033 62.295 61.300 -0.064 0.000 1.408 588 I CB -1.214 36.719 38.000 -0.111 0.000 1.092 588 I HN 0.257 nan 8.210 nan 0.000 0.423 589 N N 1.228 119.823 118.700 -0.176 0.000 2.424 589 N HA -0.040 4.700 4.740 -0.000 0.000 0.178 589 N C 0.840 176.349 175.510 -0.002 0.000 1.060 589 N CA -0.022 52.945 53.050 -0.139 0.000 0.901 589 N CB 0.136 38.321 38.487 -0.504 0.000 0.979 589 N HN 0.591 nan 8.380 nan 0.000 0.451 590 Q N 0.891 120.705 119.800 0.023 0.000 2.386 590 Q HA 0.057 4.397 4.340 -0.000 0.000 0.282 590 Q C -0.116 175.925 176.000 0.068 0.000 1.050 590 Q CA 0.155 56.022 55.803 0.106 0.000 0.918 590 Q CB 0.968 29.800 28.738 0.156 0.000 1.266 590 Q HN 0.154 nan 8.270 nan 0.000 0.423 591 L N 2.729 123.963 121.223 0.020 0.000 2.369 591 L HA 0.093 4.433 4.340 -0.000 0.000 0.279 591 L C -0.108 176.553 176.870 -0.350 0.000 1.108 591 L CA -0.143 54.585 54.840 -0.187 0.000 0.852 591 L CB 0.778 42.611 42.059 -0.377 0.000 1.169 591 L HN 0.827 nan 8.230 nan 0.000 0.452 592 D N 4.145 124.380 120.400 -0.275 0.000 2.402 592 D HA -0.016 4.624 4.640 -0.000 0.000 0.235 592 D C 0.567 176.358 176.300 -0.848 0.000 1.226 592 D CA -0.100 53.625 54.000 -0.458 0.000 0.918 592 D CB 0.378 41.080 40.800 -0.163 0.000 1.043 592 D HN 0.393 nan 8.370 nan 0.000 0.506 593 W N 1.979 122.744 121.300 -0.891 0.000 2.525 593 W HA -0.046 4.614 4.660 -0.000 0.000 0.259 593 W C 1.669 177.818 176.519 -0.616 0.000 1.253 593 W CA -0.204 56.702 57.345 -0.732 0.000 1.262 593 W CB 0.296 29.422 29.460 -0.557 0.000 1.122 593 W HN 0.330 nan 8.180 nan 0.000 0.607 594 D N -0.302 119.845 120.400 -0.422 0.000 2.123 594 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 594 D C 2.050 178.180 176.300 -0.284 0.000 0.976 594 D CA 1.102 54.972 54.000 -0.217 0.000 0.831 594 D CB -0.396 40.361 40.800 -0.072 0.000 0.974 594 D HN 0.117 nan 8.370 nan 0.000 0.469 595 R N 0.571 120.857 120.500 -0.357 0.000 2.115 595 R HA -0.059 4.281 4.340 -0.000 0.000 0.230 595 R C 2.230 178.223 176.300 -0.511 0.000 1.111 595 R CA 0.730 56.664 56.100 -0.277 0.000 0.976 595 R CB 0.116 30.338 30.300 -0.129 0.000 0.870 595 R HN -0.047 nan 8.270 nan 0.000 0.445 596 R N 1.328 121.195 120.500 -1.054 0.000 2.081 596 R HA -0.158 4.181 4.340 -0.000 0.000 0.235 596 R C 1.373 177.470 176.300 -0.338 0.000 1.131 596 R CA 1.966 57.443 56.100 -1.037 0.000 0.960 596 R CB -0.185 29.489 30.300 -1.043 0.000 0.856 596 R HN 0.416 nan 8.270 nan 0.000 0.436 597 E N -0.512 119.525 120.200 -0.272 0.000 2.028 597 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 597 E C 1.959 178.439 176.600 -0.200 0.000 0.988 597 E CA 1.821 58.125 56.400 -0.159 0.000 0.799 597 E CB -0.219 29.398 29.700 -0.137 0.000 0.755 597 E HN 0.362 nan 8.360 nan 0.000 0.447 598 T N 0.929 115.285 114.554 -0.331 0.000 2.699 598 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 598 T C 0.835 175.113 174.700 -0.703 0.000 1.036 598 T CA 1.219 62.972 62.100 -0.578 0.000 1.147 598 T CB -0.211 68.142 68.868 -0.858 0.000 0.862 598 T HN 0.060 nan 8.240 nan 0.000 0.446 599 F N 1.691 121.644 119.950 0.005 0.000 2.925 599 F HA 0.336 4.863 4.527 -0.000 0.000 0.302 599 F C 1.483 177.354 175.800 0.119 0.000 1.189 599 F CA -1.115 56.954 58.000 0.116 0.000 1.346 599 F CB -0.258 38.897 39.000 0.259 0.000 0.954 599 F HN 0.149 nan 8.300 nan 0.000 0.506 600 K N -0.639 119.841 120.400 0.133 0.000 2.211 600 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 600 K C 1.132 177.856 176.600 0.206 0.000 1.047 600 K CA 1.469 57.849 56.287 0.156 0.000 0.935 600 K CB -0.045 32.503 32.500 0.079 0.000 0.728 600 K HN 0.142 nan 8.250 nan 0.000 0.452 601 E N 1.724 122.043 120.200 0.198 0.000 2.112 601 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 601 E C 1.634 178.428 176.600 0.323 0.000 0.979 601 E CA 1.000 57.529 56.400 0.215 0.000 0.814 601 E CB -0.178 29.615 29.700 0.155 0.000 0.762 601 E HN 0.472 nan 8.360 nan 0.000 0.460 602 D N 0.670 121.280 120.400 0.350 0.000 2.117 602 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 602 D C 2.126 178.595 176.300 0.281 0.000 0.982 602 D CA 0.791 55.003 54.000 0.353 0.000 0.828 602 D CB 0.074 41.134 40.800 0.434 0.000 0.967 602 D HN 0.001 nan 8.370 nan 0.000 0.464 603 V N 1.696 121.763 119.914 0.254 0.000 2.332 603 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 603 V C 2.476 178.674 176.094 0.172 0.000 1.055 603 V CA 1.640 64.065 62.300 0.208 0.000 1.038 603 V CB -0.784 31.224 31.823 0.309 0.000 0.651 603 V HN 0.375 nan 8.190 nan 0.000 0.450 604 H N -1.182 117.969 119.070 0.135 0.000 2.421 604 H HA -0.250 4.306 4.556 -0.000 0.000 0.298 604 H C 2.268 177.650 175.328 0.090 0.000 1.087 604 H CA 2.308 58.407 56.048 0.085 0.000 1.330 604 H CB -0.140 29.684 29.762 0.103 0.000 1.388 604 H HN 0.585 nan 8.280 nan 0.000 0.526 605 Y N 1.668 122.035 120.300 0.112 0.000 2.145 605 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 605 Y C 2.661 178.557 175.900 -0.006 0.000 1.145 605 Y CA 2.035 60.197 58.100 0.103 0.000 1.148 605 Y CB -0.229 38.362 38.460 0.218 0.000 0.981 605 Y HN 0.261 nan 8.280 nan 0.000 0.507 606 I N -0.299 120.252 120.570 -0.031 0.000 2.493 606 I HA -0.126 4.044 4.170 -0.000 0.000 0.254 606 I C 2.388 178.360 176.117 -0.242 0.000 1.160 606 I CA 1.563 62.769 61.300 -0.158 0.000 1.445 606 I CB -0.852 37.112 38.000 -0.060 0.000 1.086 606 I HN 0.094 nan 8.210 nan 0.000 0.433 607 R N 1.066 121.411 120.500 -0.257 0.000 2.081 607 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 607 R C 2.433 178.487 176.300 -0.410 0.000 1.131 607 R CA 1.250 57.165 56.100 -0.308 0.000 0.960 607 R CB -0.182 29.937 30.300 -0.301 0.000 0.856 607 R HN 0.361 nan 8.270 nan 0.000 0.436 608 R N 0.325 120.464 120.500 -0.601 0.000 2.092 608 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 608 R C 2.394 178.277 176.300 -0.694 0.000 1.119 608 R CA 1.121 56.723 56.100 -0.830 0.000 0.970 608 R CB -0.353 29.108 30.300 -1.398 0.000 0.864 608 R HN 0.310 nan 8.270 nan 0.000 0.440 609 L N 0.434 121.352 121.223 -0.508 0.000 2.083 609 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 609 L C 2.378 179.123 176.870 -0.208 0.000 1.083 609 L CA 1.210 55.907 54.840 -0.239 0.000 0.752 609 L CB -0.319 41.594 42.059 -0.243 0.000 0.899 609 L HN 0.158 nan 8.230 nan 0.000 0.433 610 I N -1.183 119.254 120.570 -0.221 0.000 2.286 610 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 610 I C 2.568 178.596 176.117 -0.148 0.000 1.104 610 I CA 0.963 62.166 61.300 -0.161 0.000 1.397 610 I CB -0.189 37.717 38.000 -0.156 0.000 1.072 610 I HN 0.137 nan 8.210 nan 0.000 0.417 611 S N 0.879 116.464 115.700 -0.192 0.000 2.368 611 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 611 S C 1.908 176.440 174.600 -0.114 0.000 1.030 611 S CA 1.122 59.224 58.200 -0.163 0.000 0.999 611 S CB -0.376 62.701 63.200 -0.204 0.000 0.844 611 S HN 0.284 nan 8.310 nan 0.000 0.459 612 L N 2.313 123.477 121.223 -0.098 0.000 1.989 612 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 612 L C 2.347 179.273 176.870 0.093 0.000 1.071 612 L CA 1.849 56.730 54.840 0.068 0.000 0.749 612 L CB -0.631 41.508 42.059 0.133 0.000 0.890 612 L HN 0.163 nan 8.230 nan 0.000 0.431 613 R N -0.359 120.109 120.500 -0.054 0.000 2.083 613 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 613 R C 2.489 178.830 176.300 0.068 0.000 1.137 613 R CA 2.072 58.166 56.100 -0.009 0.000 0.951 613 R CB -0.316 29.935 30.300 -0.081 0.000 0.851 613 R HN 0.427 nan 8.270 nan 0.000 0.434 614 K N -0.340 120.051 120.400 -0.014 0.000 2.097 614 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 614 K C 1.633 178.164 176.600 -0.115 0.000 1.050 614 K CA 1.365 57.625 56.287 -0.044 0.000 0.938 614 K CB -0.059 32.404 32.500 -0.062 0.000 0.718 614 K HN 0.275 nan 8.250 nan 0.000 0.442 615 A N 0.387 123.092 122.820 -0.191 0.000 2.208 615 A HA -0.016 4.304 4.320 -0.000 0.000 0.209 615 A C -0.084 177.022 177.584 -0.797 0.000 1.161 615 A CA 0.401 52.162 52.037 -0.459 0.000 0.782 615 A CB -0.062 18.620 19.000 -0.530 0.000 0.816 615 A HN 0.312 nan 8.150 nan 0.000 0.477 616 H N -1.262 117.753 119.070 -0.093 0.000 2.991 616 H HA 0.220 4.776 4.556 -0.000 0.000 0.304 616 H C -2.380 172.955 175.328 0.011 0.000 1.040 616 H CA -1.710 54.283 56.048 -0.091 0.000 1.410 616 H CB 1.306 31.033 29.762 -0.058 0.000 1.529 616 H HN 0.078 nan 8.280 nan 0.000 0.509 617 P HA -0.129 nan 4.420 nan 0.000 0.223 617 P C 1.483 178.763 177.300 -0.032 0.000 1.144 617 P CA 1.102 64.190 63.100 -0.020 0.000 0.783 617 P CB 0.301 31.951 31.700 -0.083 0.000 0.771 618 A N -1.311 121.460 122.820 -0.082 0.000 1.978 618 A HA -0.183 4.136 4.320 -0.000 0.000 0.220 618 A C 1.563 179.030 177.584 -0.194 0.000 1.170 618 A CA 1.444 53.362 52.037 -0.200 0.000 0.636 618 A CB -1.645 17.169 19.000 -0.310 0.000 0.810 618 A HN 0.153 nan 8.150 nan 0.000 0.448 619 F N -0.861 119.145 119.950 0.092 0.000 2.789 619 F HA 0.174 4.701 4.527 -0.000 0.000 0.300 619 F C 1.525 177.372 175.800 0.078 0.000 1.132 619 F CA 0.520 58.589 58.000 0.116 0.000 1.404 619 F CB 0.192 39.274 39.000 0.136 0.000 1.114 619 F HN 0.046 nan 8.300 nan 0.000 0.584 620 R N 0.419 121.021 120.500 0.171 0.000 2.903 620 R HA 0.229 4.569 4.340 -0.000 0.000 0.363 620 R C -0.811 175.486 176.300 -0.006 0.000 1.161 620 R CA -0.561 55.596 56.100 0.095 0.000 1.109 620 R CB 0.290 30.637 30.300 0.079 0.000 1.399 620 R HN -0.051 nan 8.270 nan 0.000 0.587 621 L N 1.414 122.631 121.223 -0.009 0.000 2.485 621 L HA 0.029 4.369 4.340 -0.000 0.000 0.275 621 L C 1.633 178.455 176.870 -0.080 0.000 1.207 621 L CA 0.760 55.560 54.840 -0.066 0.000 0.855 621 L CB 0.329 42.369 42.059 -0.031 0.000 1.114 621 L HN 0.218 nan 8.230 nan 0.000 0.485 622 R N 0.695 121.102 120.500 -0.155 0.000 2.334 622 R HA 0.171 4.511 4.340 -0.000 0.000 0.216 622 R C 0.006 176.278 176.300 -0.046 0.000 0.905 622 R CA 0.274 56.228 56.100 -0.242 0.000 1.064 622 R CB 0.032 30.051 30.300 -0.469 0.000 1.046 622 R HN 0.718 nan 8.270 nan 0.000 0.508 623 S N -1.877 113.823 115.700 0.001 0.000 2.556 623 S HA 0.539 5.009 4.470 -0.000 0.000 0.271 623 S C 0.486 175.124 174.600 0.063 0.000 1.135 623 S CA -0.385 57.844 58.200 0.049 0.000 0.858 623 S CB 2.041 65.266 63.200 0.041 0.000 1.114 623 S HN -0.009 nan 8.310 nan 0.000 0.468 624 A N 1.452 124.318 122.820 0.077 0.000 2.019 624 A HA 0.258 4.578 4.320 -0.000 0.000 0.219 624 A C 2.206 179.839 177.584 0.081 0.000 1.164 624 A CA 1.871 53.961 52.037 0.087 0.000 0.644 624 A CB -1.415 17.639 19.000 0.089 0.000 0.805 624 A HN 1.505 nan 8.150 nan 0.000 0.449 625 A N 0.010 122.871 122.820 0.067 0.000 1.898 625 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 625 A C 1.772 179.403 177.584 0.079 0.000 1.181 625 A CA 1.662 53.736 52.037 0.062 0.000 0.620 625 A CB -0.445 18.585 19.000 0.050 0.000 0.819 625 A HN 0.451 nan 8.150 nan 0.000 0.442 626 D N 0.050 120.498 120.400 0.080 0.000 2.144 626 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 626 D C 1.864 178.270 176.300 0.176 0.000 0.978 626 D CA 1.001 55.075 54.000 0.123 0.000 0.833 626 D CB -0.273 40.541 40.800 0.024 0.000 0.961 626 D HN 0.519 nan 8.370 nan 0.000 0.470 627 I N 0.559 121.199 120.570 0.115 0.000 2.252 627 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 627 I C 2.373 178.574 176.117 0.140 0.000 1.102 627 I CA 0.855 62.232 61.300 0.128 0.000 1.385 627 I CB -0.083 37.992 38.000 0.126 0.000 1.064 627 I HN -0.092 nan 8.210 nan 0.000 0.414 628 Q N 0.857 120.726 119.800 0.115 0.000 2.364 628 Q HA -0.167 4.172 4.340 -0.000 0.000 0.209 628 Q C 2.048 178.086 176.000 0.063 0.000 0.977 628 Q CA 1.414 57.272 55.803 0.090 0.000 0.885 628 Q CB -0.105 28.667 28.738 0.057 0.000 0.941 628 Q HN 0.262 nan 8.270 nan 0.000 0.464 629 R N -2.076 118.442 120.500 0.031 0.000 2.290 629 R HA 0.093 4.433 4.340 -0.000 0.000 0.197 629 R C 0.353 176.267 176.300 -0.642 0.000 0.913 629 R CA 0.566 56.569 56.100 -0.161 0.000 1.040 629 R CB 0.360 30.591 30.300 -0.115 0.000 0.992 629 R HN 0.326 nan 8.270 nan 0.000 0.500 630 H N -1.808 117.084 119.070 -0.296 0.000 3.540 630 H HA 0.262 4.818 4.556 -0.000 0.000 0.259 630 H C -0.956 174.137 175.328 -0.392 0.000 1.197 630 H CA -0.269 55.386 56.048 -0.655 0.000 1.136 630 H CB 1.092 30.632 29.762 -0.370 0.000 1.605 630 H HN -0.034 nan 8.280 nan 0.000 0.657 631 L N 2.239 123.511 121.223 0.083 0.000 2.385 631 L HA 0.478 4.818 4.340 -0.000 0.000 0.273 631 L C -1.208 175.922 176.870 0.433 0.000 0.990 631 L CA -0.620 54.394 54.840 0.290 0.000 0.821 631 L CB 1.666 43.877 42.059 0.254 0.000 1.279 631 L HN 0.283 nan 8.230 nan 0.000 0.412 632 E N 3.722 124.216 120.200 0.489 0.000 2.343 632 E HA 0.291 4.641 4.350 -0.000 0.000 0.278 632 E C -1.514 175.341 176.600 0.426 0.000 0.910 632 E CA -0.933 55.728 56.400 0.435 0.000 0.757 632 E CB 1.724 31.614 29.700 0.316 0.000 1.218 632 E HN 0.585 nan 8.360 nan 0.000 0.435 633 C N 3.646 123.232 119.300 0.476 0.000 2.527 633 C HA 0.333 4.793 4.460 -0.000 0.000 0.396 633 C C 0.743 175.917 174.990 0.306 0.000 1.289 633 C CA -0.301 58.962 59.018 0.408 0.000 2.047 633 C CB -0.531 27.512 27.740 0.504 0.000 2.568 633 C HN 0.848 nan 8.230 nan 0.000 0.573 634 L N 4.138 125.536 121.223 0.292 0.000 2.609 634 L HA 0.370 4.710 4.340 -0.000 0.000 0.230 634 L C 1.090 178.134 176.870 0.289 0.000 1.064 634 L CA 1.137 56.143 54.840 0.277 0.000 0.873 634 L CB -0.109 42.169 42.059 0.364 0.000 1.139 634 L HN 0.791 nan 8.230 nan 0.000 0.490 635 T N 0.101 114.836 114.554 0.302 0.000 3.105 635 T HA 0.510 4.859 4.350 -0.000 0.000 0.321 635 T C -1.199 173.626 174.700 0.208 0.000 1.135 635 T CA -0.192 62.079 62.100 0.285 0.000 1.053 635 T CB 2.185 71.330 68.868 0.462 0.000 1.133 635 T HN -0.140 nan 8.240 nan 0.000 0.463 636 L N 3.488 124.815 121.223 0.172 0.000 2.529 636 L HA 0.540 4.880 4.340 -0.000 0.000 0.258 636 L C -0.804 176.143 176.870 0.128 0.000 1.032 636 L CA -0.475 54.442 54.840 0.128 0.000 0.899 636 L CB 0.577 42.702 42.059 0.110 0.000 1.174 636 L HN 0.500 nan 8.230 nan 0.000 0.458 637 K N 1.255 121.751 120.400 0.159 0.000 2.280 637 K HA 0.295 4.615 4.320 -0.000 0.000 0.234 637 K C 0.714 177.416 176.600 0.170 0.000 1.028 637 K CA -0.613 55.762 56.287 0.146 0.000 0.882 637 K CB 1.632 34.227 32.500 0.159 0.000 1.194 637 K HN 0.538 nan 8.250 nan 0.000 0.458 638 E N 0.279 120.511 120.200 0.053 0.000 2.160 638 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 638 E C 0.578 177.157 176.600 -0.035 0.000 0.991 638 E CA 1.563 57.922 56.400 -0.068 0.000 0.810 638 E CB -0.063 29.428 29.700 -0.348 0.000 0.742 638 E HN 0.471 nan 8.360 nan 0.000 0.466 639 H N -0.605 118.625 119.070 0.267 0.000 2.916 639 H HA 0.367 4.923 4.556 -0.000 0.000 0.262 639 H C -0.375 175.188 175.328 0.392 0.000 1.178 639 H CA -0.308 55.836 56.048 0.160 0.000 1.090 639 H CB 1.017 30.817 29.762 0.064 0.000 1.657 639 H HN 0.101 nan 8.280 nan 0.000 0.601 640 L N 1.562 123.121 121.223 0.560 0.000 2.470 640 L HA 0.487 4.827 4.340 -0.000 0.000 0.268 640 L C -1.369 175.706 176.870 0.341 0.000 0.964 640 L CA -0.481 54.628 54.840 0.450 0.000 0.839 640 L CB 2.016 44.231 42.059 0.260 0.000 1.276 640 L HN 0.020 nan 8.230 nan 0.000 0.403 641 I N 4.301 125.045 120.570 0.289 0.000 2.478 641 I HA 0.606 4.776 4.170 -0.000 0.000 0.287 641 I C -0.307 175.861 176.117 0.085 0.000 1.042 641 I CA -0.496 60.888 61.300 0.141 0.000 1.067 641 I CB 2.120 40.126 38.000 0.009 0.000 1.233 641 I HN 0.744 nan 8.210 nan 0.000 0.431 642 A N 6.637 129.493 122.820 0.061 0.000 2.343 642 A HA 0.839 5.159 4.320 -0.000 0.000 0.308 642 A C -1.315 176.357 177.584 0.145 0.000 1.092 642 A CA -0.393 51.590 52.037 -0.090 0.000 0.751 642 A CB 0.927 19.709 19.000 -0.362 0.000 1.203 642 A HN 0.683 nan 8.150 nan 0.000 0.452 643 Y N 0.279 120.565 120.300 -0.023 0.000 2.634 643 Y HA 0.914 5.464 4.550 -0.000 0.000 0.340 643 Y C -0.411 175.544 175.900 0.093 0.000 1.058 643 Y CA -1.491 56.656 58.100 0.079 0.000 1.081 643 Y CB 1.202 39.708 38.460 0.076 0.000 1.295 643 Y HN 0.862 nan 8.280 nan 0.000 0.487 644 R N 0.734 121.378 120.500 0.241 0.000 2.707 644 R HA 0.723 5.063 4.340 -0.000 0.000 0.272 644 R C -2.470 174.012 176.300 0.302 0.000 1.011 644 R CA -0.839 55.355 56.100 0.157 0.000 0.893 644 R CB 1.294 31.702 30.300 0.180 0.000 1.233 644 R HN 0.574 nan 8.270 nan 0.000 0.464 645 L N 3.305 124.650 121.223 0.204 0.000 2.305 645 L HA 0.547 4.887 4.340 -0.000 0.000 0.284 645 L C -0.660 176.343 176.870 0.221 0.000 1.013 645 L CA -0.815 54.120 54.840 0.159 0.000 0.819 645 L CB 0.437 42.484 42.059 -0.020 0.000 1.227 645 L HN 0.892 nan 8.230 nan 0.000 0.417 646 Y N -0.600 119.791 120.300 0.151 0.000 2.773 646 Y HA 0.599 5.149 4.550 -0.000 0.000 0.323 646 Y C -0.057 175.952 175.900 0.181 0.000 1.183 646 Y CA -1.576 56.608 58.100 0.141 0.000 1.144 646 Y CB 0.549 39.072 38.460 0.105 0.000 1.340 646 Y HN 0.486 nan 8.280 nan 0.000 0.531 647 D N 0.692 121.262 120.400 0.282 0.000 2.697 647 D HA -0.162 4.478 4.640 -0.000 0.000 0.235 647 D C -0.292 176.143 176.300 0.225 0.000 1.167 647 D CA 1.044 55.159 54.000 0.192 0.000 0.656 647 D CB -0.944 39.895 40.800 0.064 0.000 1.025 647 D HN 0.688 nan 8.370 nan 0.000 0.419 648 L N -0.464 120.859 121.223 0.166 0.000 2.728 648 L HA 0.094 4.434 4.340 -0.000 0.000 0.235 648 L C 1.756 178.668 176.870 0.069 0.000 1.197 648 L CA -0.599 54.297 54.840 0.094 0.000 0.992 648 L CB 0.162 42.267 42.059 0.077 0.000 1.263 648 L HN -0.094 nan 8.230 nan 0.000 0.484 649 D N 1.746 122.198 120.400 0.086 0.000 2.380 649 D HA -0.265 4.375 4.640 -0.000 0.000 0.198 649 D C 1.385 177.704 176.300 0.032 0.000 1.027 649 D CA 1.753 55.791 54.000 0.062 0.000 0.880 649 D CB 0.188 41.026 40.800 0.063 0.000 1.064 649 D HN 0.176 nan 8.370 nan 0.000 0.465 650 E N -0.463 119.748 120.200 0.017 0.000 2.462 650 E HA 0.246 4.596 4.350 -0.000 0.000 0.255 650 E C -0.035 176.537 176.600 -0.046 0.000 1.311 650 E CA -0.144 56.249 56.400 -0.011 0.000 1.629 650 E CB -0.031 29.664 29.700 -0.008 0.000 1.510 650 E HN 0.010 nan 8.360 nan 0.000 0.438 651 V N -0.552 119.329 119.914 -0.056 0.000 3.415 651 V HA 0.216 4.336 4.120 -0.000 0.000 0.204 651 V C 0.268 176.312 176.094 -0.083 0.000 1.365 651 V CA 0.166 62.402 62.300 -0.106 0.000 1.310 651 V CB 0.571 32.281 31.823 -0.187 0.000 1.231 651 V HN 0.316 nan 8.190 nan 0.000 0.538 652 D N -0.451 119.924 120.400 -0.041 0.000 2.423 652 D HA 0.259 4.899 4.640 -0.000 0.000 0.235 652 D C 0.343 176.645 176.300 0.004 0.000 1.011 652 D CA -0.293 53.695 54.000 -0.020 0.000 0.963 652 D CB 3.091 43.906 40.800 0.025 0.000 1.349 652 D HN 0.200 nan 8.370 nan 0.000 0.508 653 E N 1.319 121.489 120.200 -0.051 0.000 2.152 653 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 653 E C -0.140 176.556 176.600 0.161 0.000 0.983 653 E CA 0.590 56.961 56.400 -0.048 0.000 0.818 653 E CB 0.313 29.864 29.700 -0.248 0.000 0.758 653 E HN 0.313 nan 8.360 nan 0.000 0.467 654 W N 1.309 122.673 121.300 0.106 0.000 2.438 654 W HA 0.261 4.921 4.660 -0.000 0.000 0.324 654 W C 1.138 177.693 176.519 0.059 0.000 1.119 654 W CA -1.210 56.179 57.345 0.072 0.000 1.221 654 W CB 1.168 30.639 29.460 0.018 0.000 1.253 654 W HN -0.061 nan 8.180 nan 0.000 0.555 655 K N 0.511 121.079 120.400 0.280 0.000 2.057 655 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 655 K C -0.258 176.454 176.600 0.185 0.000 1.050 655 K CA 1.475 57.867 56.287 0.174 0.000 0.935 655 K CB 0.101 32.662 32.500 0.101 0.000 0.715 655 K HN 0.378 nan 8.250 nan 0.000 0.439 656 D N -0.866 119.648 120.400 0.189 0.000 2.857 656 D HA 0.412 5.052 4.640 -0.000 0.000 0.227 656 D C -1.585 174.876 176.300 0.267 0.000 1.192 656 D CA -0.582 53.561 54.000 0.238 0.000 0.857 656 D CB 1.490 42.456 40.800 0.276 0.000 1.645 656 D HN 0.078 nan 8.370 nan 0.000 0.482 657 I N 3.205 123.915 120.570 0.234 0.000 2.534 657 I HA 0.437 4.607 4.170 -0.000 0.000 0.288 657 I C -0.646 175.521 176.117 0.084 0.000 1.077 657 I CA -0.731 60.677 61.300 0.180 0.000 1.051 657 I CB 1.948 40.011 38.000 0.104 0.000 1.234 657 I HN 0.276 nan 8.210 nan 0.000 0.425 658 I N 6.300 126.887 120.570 0.028 0.000 2.465 658 I HA 0.514 4.683 4.170 -0.000 0.000 0.291 658 I C -0.820 175.132 176.117 -0.275 0.000 1.014 658 I CA -0.960 60.258 61.300 -0.136 0.000 1.093 658 I CB 2.308 40.230 38.000 -0.129 0.000 1.267 658 I HN 0.153 nan 8.210 nan 0.000 0.431 659 V N 7.227 126.819 119.914 -0.536 0.000 2.531 659 V HA 0.504 4.624 4.120 -0.000 0.000 0.301 659 V C -0.271 175.416 176.094 -0.678 0.000 1.034 659 V CA -0.434 61.496 62.300 -0.617 0.000 0.865 659 V CB 2.073 33.408 31.823 -0.813 0.000 0.995 659 V HN 0.470 nan 8.190 nan 0.000 0.424 660 I N 4.163 124.396 120.570 -0.562 0.000 2.418 660 I HA 0.475 4.645 4.170 -0.000 0.000 0.287 660 I C -0.630 175.324 176.117 -0.272 0.000 1.008 660 I CA -0.466 60.539 61.300 -0.493 0.000 1.104 660 I CB 1.569 39.190 38.000 -0.632 0.000 1.264 660 I HN 0.630 nan 8.210 nan 0.000 0.438 661 H N 4.319 123.438 119.070 0.080 0.000 2.504 661 H HA 0.348 4.904 4.556 -0.000 0.000 0.322 661 H C -0.837 174.696 175.328 0.342 0.000 1.055 661 H CA -0.481 55.712 56.048 0.241 0.000 1.231 661 H CB 1.186 31.167 29.762 0.364 0.000 1.417 661 H HN 0.528 nan 8.280 nan 0.000 0.472 662 H N 2.469 121.689 119.070 0.250 0.000 2.539 662 H HA 0.468 5.024 4.556 -0.000 0.000 0.332 662 H C -0.549 174.798 175.328 0.033 0.000 1.031 662 H CA -0.822 55.311 56.048 0.142 0.000 1.206 662 H CB 1.163 30.966 29.762 0.069 0.000 1.446 662 H HN 0.821 nan 8.280 nan 0.000 0.496 663 A N 4.062 126.774 122.820 -0.179 0.000 2.545 663 A HA 0.191 4.511 4.320 -0.000 0.000 0.277 663 A C -0.243 177.010 177.584 -0.552 0.000 1.301 663 A CA -0.076 51.711 52.037 -0.416 0.000 0.935 663 A CB -0.115 18.452 19.000 -0.722 0.000 1.093 663 A HN 0.532 nan 8.150 nan 0.000 0.519 664 S N -0.930 114.302 115.700 -0.780 0.000 2.548 664 S HA 0.614 5.084 4.470 -0.000 0.000 0.286 664 S C -2.413 171.839 174.600 -0.581 0.000 1.098 664 S CA -1.273 56.516 58.200 -0.684 0.000 0.930 664 S CB 2.183 65.038 63.200 -0.575 0.000 1.070 664 S HN 0.035 nan 8.310 nan 0.000 0.480 665 P HA 0.024 nan 4.420 nan 0.000 0.237 665 P C -0.122 177.138 177.300 -0.067 0.000 1.178 665 P CA 0.490 63.488 63.100 -0.171 0.000 0.766 665 P CB -0.531 31.093 31.700 -0.127 0.000 0.876 666 D N -0.165 120.217 120.400 -0.031 0.000 2.384 666 D HA 0.216 4.856 4.640 -0.000 0.000 0.244 666 D C -0.126 176.292 176.300 0.196 0.000 1.251 666 D CA -0.573 53.473 54.000 0.076 0.000 0.961 666 D CB 0.169 41.022 40.800 0.088 0.000 1.116 666 D HN -0.200 nan 8.370 nan 0.000 0.484 667 S N -0.781 115.004 115.700 0.141 0.000 2.482 667 S HA 0.645 5.115 4.470 -0.000 0.000 0.303 667 S C -0.768 173.880 174.600 0.080 0.000 1.091 667 S CA -0.601 57.672 58.200 0.121 0.000 1.057 667 S CB 0.426 63.669 63.200 0.072 0.000 1.031 667 S HN 0.839 nan 8.310 nan 0.000 0.485 668 V N 1.488 121.417 119.914 0.025 0.000 3.147 668 V HA 0.744 4.864 4.120 -0.000 0.000 0.306 668 V C -1.168 174.936 176.094 0.017 0.000 1.209 668 V CA -0.957 61.349 62.300 0.011 0.000 1.023 668 V CB 1.951 33.765 31.823 -0.015 0.000 1.059 668 V HN 0.753 nan 8.190 nan 0.000 0.435 669 E N 1.164 121.390 120.200 0.044 0.000 2.242 669 E HA 0.442 4.792 4.350 -0.000 0.000 0.275 669 E C -1.776 174.904 176.600 0.133 0.000 1.002 669 E CA -0.064 56.376 56.400 0.065 0.000 0.841 669 E CB 2.543 32.261 29.700 0.030 0.000 1.109 669 E HN 0.866 nan 8.360 nan 0.000 0.394 670 W N 2.928 124.188 121.300 -0.066 0.000 2.781 670 W HA 0.284 4.944 4.660 -0.000 0.000 0.333 670 W C -0.437 176.039 176.519 -0.072 0.000 1.047 670 W CA -0.576 56.728 57.345 -0.068 0.000 1.236 670 W CB 1.022 30.433 29.460 -0.081 0.000 1.394 670 W HN 0.213 nan 8.180 nan 0.000 0.466 671 R N 4.841 124.930 120.500 -0.686 0.000 2.308 671 R HA 0.309 4.648 4.340 -0.000 0.000 0.305 671 R C -0.595 175.042 176.300 -1.105 0.000 1.053 671 R CA -0.700 55.013 56.100 -0.646 0.000 0.957 671 R CB 0.955 30.976 30.300 -0.466 0.000 1.022 671 R HN 0.443 nan 8.270 nan 0.000 0.461 672 L N 5.621 126.467 121.223 -0.628 0.000 2.453 672 L HA 0.189 4.529 4.340 -0.000 0.000 0.261 672 L C -0.973 175.645 176.870 -0.420 0.000 1.179 672 L CA -1.305 53.214 54.840 -0.535 0.000 0.813 672 L CB 0.295 42.183 42.059 -0.286 0.000 1.110 672 L HN 0.486 nan 8.230 nan 0.000 0.466 673 P HA -0.038 nan 4.420 nan 0.000 0.242 673 P C -0.902 176.333 177.300 -0.108 0.000 1.197 673 P CA 0.593 63.590 63.100 -0.172 0.000 0.765 673 P CB -0.058 31.591 31.700 -0.084 0.000 0.936 674 N N -1.776 116.864 118.700 -0.100 0.000 3.364 674 N HA 0.180 4.920 4.740 -0.000 0.000 0.294 674 N C -0.664 174.830 175.510 -0.027 0.000 1.562 674 N CA -0.698 52.331 53.050 -0.034 0.000 0.862 674 N CB -0.190 38.320 38.487 0.038 0.000 1.691 674 N HN -0.420 nan 8.380 nan 0.000 0.572 675 D N -0.430 119.976 120.400 0.011 0.000 2.440 675 D HA 0.304 4.944 4.640 -0.000 0.000 0.216 675 D C -0.135 176.199 176.300 0.057 0.000 1.150 675 D CA -0.037 53.972 54.000 0.014 0.000 0.832 675 D CB 0.400 41.198 40.800 -0.004 0.000 0.992 675 D HN 0.443 nan 8.370 nan 0.000 0.502 676 I N 2.227 122.868 120.570 0.118 0.000 2.588 676 I HA 0.096 4.266 4.170 -0.000 0.000 0.283 676 I C -2.108 174.124 176.117 0.191 0.000 1.119 676 I CA -1.620 59.753 61.300 0.121 0.000 1.419 676 I CB 0.596 38.663 38.000 0.112 0.000 1.394 676 I HN -0.398 nan 8.210 nan 0.000 0.562 677 P HA 0.099 nan 4.420 nan 0.000 0.268 677 P C -1.291 176.028 177.300 0.031 0.000 1.204 677 P CA 0.355 63.495 63.100 0.066 0.000 0.768 677 P CB 0.321 32.015 31.700 -0.010 0.000 0.842 678 Y N 1.515 121.736 120.300 -0.131 0.000 2.621 678 Y HA 0.497 5.047 4.550 -0.000 0.000 0.334 678 Y C 0.925 176.635 175.900 -0.316 0.000 1.074 678 Y CA -0.776 57.191 58.100 -0.221 0.000 1.149 678 Y CB 1.437 39.791 38.460 -0.176 0.000 1.302 678 Y HN 0.075 nan 8.280 nan 0.000 0.501 679 R N 2.060 122.293 120.500 -0.445 0.000 2.265 679 R HA 0.255 4.595 4.340 -0.000 0.000 0.319 679 R C -0.995 175.051 176.300 -0.424 0.000 1.006 679 R CA -0.804 54.941 56.100 -0.590 0.000 0.880 679 R CB 1.186 30.732 30.300 -1.257 0.000 1.077 679 R HN 0.513 nan 8.270 nan 0.000 0.454 680 L N 6.378 127.482 121.223 -0.198 0.000 2.363 680 L HA 0.038 4.378 4.340 -0.000 0.000 0.286 680 L C 0.824 177.669 176.870 -0.041 0.000 1.106 680 L CA 0.307 55.089 54.840 -0.098 0.000 0.859 680 L CB 0.375 42.407 42.059 -0.046 0.000 1.223 680 L HN 0.570 nan 8.230 nan 0.000 0.446 681 L N 5.654 126.877 121.223 0.000 0.000 2.307 681 L HA 0.124 4.464 4.340 -0.000 0.000 0.211 681 L C 0.295 177.179 176.870 0.024 0.000 1.099 681 L CA 0.721 55.651 54.840 0.150 0.000 0.816 681 L CB 0.447 42.715 42.059 0.349 0.000 0.952 681 L HN 0.737 nan 8.230 nan 0.000 0.455 682 C N 0.399 119.637 119.300 -0.103 0.000 3.284 682 C HA 0.587 5.047 4.460 -0.000 0.000 0.338 682 C C -1.662 173.253 174.990 -0.125 0.000 1.237 682 C CA -0.528 58.346 59.018 -0.240 0.000 1.276 682 C CB 1.248 28.555 27.740 -0.723 0.000 1.601 682 C HN 0.681 nan 8.230 nan 0.000 0.494 683 D N 2.468 122.828 120.400 -0.066 0.000 2.759 683 D HA 0.512 5.152 4.640 -0.000 0.000 0.321 683 D C -2.572 173.732 176.300 0.007 0.000 1.267 683 D CA -1.083 52.904 54.000 -0.021 0.000 0.933 683 D CB 0.426 41.224 40.800 -0.004 0.000 1.431 683 D HN 0.177 nan 8.370 nan 0.000 0.504 684 P HA -0.072 nan 4.420 nan 0.000 0.219 684 P C 0.851 178.139 177.300 -0.021 0.000 1.144 684 P CA 1.388 64.492 63.100 0.007 0.000 0.806 684 P CB 0.137 31.855 31.700 0.031 0.000 0.771 685 S N -1.822 113.884 115.700 0.010 0.000 2.496 685 S HA 0.318 4.788 4.470 -0.000 0.000 0.224 685 S C 1.155 175.791 174.600 0.060 0.000 0.996 685 S CA 0.777 58.993 58.200 0.028 0.000 0.927 685 S CB -0.332 62.896 63.200 0.048 0.000 0.774 685 S HN 0.422 nan 8.310 nan 0.000 0.524 686 G N 0.772 109.624 108.800 0.087 0.000 2.373 686 G HA2 0.011 3.971 3.960 -0.000 0.000 0.634 686 G HA3 0.011 3.971 3.960 -0.000 0.000 0.634 686 G C -0.982 174.083 174.900 0.275 0.000 1.267 686 G CA -1.196 44.073 45.100 0.282 0.000 1.008 686 G HN 0.114 nan 8.290 nan 0.000 0.497 687 F N 1.451 121.587 119.950 0.311 0.000 2.518 687 F HA 0.415 4.942 4.527 -0.000 0.000 0.359 687 F C 1.176 177.089 175.800 0.188 0.000 1.118 687 F CA 0.139 58.277 58.000 0.231 0.000 1.287 687 F CB 0.951 40.076 39.000 0.209 0.000 1.132 687 F HN 0.204 nan 8.300 nan 0.000 0.587 688 Q N 2.355 122.331 119.800 0.294 0.000 2.303 688 Q HA 0.092 4.432 4.340 -0.000 0.000 0.257 688 Q C 0.996 177.133 176.000 0.229 0.000 0.941 688 Q CA -0.375 55.555 55.803 0.211 0.000 0.931 688 Q CB 1.472 30.292 28.738 0.137 0.000 1.215 688 Q HN 0.634 nan 8.270 nan 0.000 0.437 689 E N 2.529 122.843 120.200 0.190 0.000 2.038 689 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 689 E C -0.602 176.090 176.600 0.154 0.000 1.000 689 E CA 1.614 58.115 56.400 0.169 0.000 0.803 689 E CB 0.257 30.034 29.700 0.128 0.000 0.750 689 E HN 0.528 nan 8.360 nan 0.000 0.448 690 D N 0.808 121.284 120.400 0.126 0.000 2.462 690 D HA 0.260 4.900 4.640 -0.000 0.000 0.249 690 D C -2.525 173.834 176.300 0.099 0.000 1.117 690 D CA -1.532 52.534 54.000 0.110 0.000 0.900 690 D CB 1.265 42.114 40.800 0.082 0.000 1.039 690 D HN 0.043 nan 8.370 nan 0.000 0.516 691 P HA -0.056 nan 4.420 nan 0.000 0.256 691 P C 0.027 177.333 177.300 0.009 0.000 1.173 691 P CA 0.292 63.434 63.100 0.071 0.000 0.768 691 P CB 0.487 32.250 31.700 0.105 0.000 0.758 692 T N 2.627 117.179 114.554 -0.003 0.000 2.882 692 T HA 0.164 4.514 4.350 -0.000 0.000 0.287 692 T C -0.067 174.602 174.700 -0.053 0.000 1.014 692 T CA -0.590 61.501 62.100 -0.015 0.000 1.049 692 T CB 0.445 69.312 68.868 -0.001 0.000 1.001 692 T HN 0.285 nan 8.240 nan 0.000 0.525 693 E N 1.572 121.745 120.200 -0.046 0.000 2.191 693 E HA 0.485 4.835 4.350 -0.000 0.000 0.278 693 E C -0.526 176.058 176.600 -0.026 0.000 0.972 693 E CA -0.690 55.676 56.400 -0.058 0.000 0.804 693 E CB 1.144 30.811 29.700 -0.055 0.000 1.110 693 E HN 0.578 nan 8.360 nan 0.000 0.394 694 I N -0.492 120.070 120.570 -0.013 0.000 2.892 694 I HA 0.549 4.719 4.170 -0.000 0.000 0.306 694 I C -0.975 175.158 176.117 0.026 0.000 1.078 694 I CA -0.807 60.495 61.300 0.004 0.000 1.032 694 I CB 1.731 39.732 38.000 0.000 0.000 1.229 694 I HN 0.229 nan 8.210 nan 0.000 0.435 695 K N 2.564 122.973 120.400 0.015 0.000 2.477 695 K HA 0.569 4.889 4.320 -0.000 0.000 0.255 695 K C -0.381 176.213 176.600 -0.010 0.000 0.952 695 K CA -0.979 55.319 56.287 0.019 0.000 0.826 695 K CB 2.226 34.736 32.500 0.015 0.000 1.331 695 K HN 0.663 nan 8.250 nan 0.000 0.437 696 K N -1.220 119.164 120.400 -0.027 0.000 7.118 696 K HA -0.302 4.018 4.320 -0.000 0.000 0.461 696 K C 0.436 176.978 176.600 -0.097 0.000 0.407 696 K CA 2.461 58.707 56.287 -0.068 0.000 1.885 696 K CB -1.369 31.098 32.500 -0.055 0.000 0.873 696 K HN 0.920 nan 8.250 nan 0.000 0.809 697 T N -2.327 112.195 114.554 -0.053 0.000 2.883 697 T HA 0.711 5.061 4.350 -0.000 0.000 0.296 697 T C -0.894 173.819 174.700 0.022 0.000 1.117 697 T CA -0.458 61.623 62.100 -0.032 0.000 1.006 697 T CB 2.680 71.527 68.868 -0.035 0.000 1.191 697 T HN 0.161 nan 8.240 nan 0.000 0.508 698 V N 0.152 120.112 119.914 0.077 0.000 3.012 698 V HA 0.799 4.919 4.120 -0.000 0.000 0.307 698 V C -0.694 175.446 176.094 0.077 0.000 1.166 698 V CA -0.603 61.741 62.300 0.073 0.000 0.974 698 V CB 1.802 33.675 31.823 0.083 0.000 1.040 698 V HN 1.553 nan 8.190 nan 0.000 0.428 699 A N 4.801 127.646 122.820 0.041 0.000 2.331 699 A HA 0.719 5.039 4.320 -0.000 0.000 0.283 699 A C -0.581 177.012 177.584 0.015 0.000 1.142 699 A CA -0.309 51.747 52.037 0.032 0.000 0.812 699 A CB 1.094 20.109 19.000 0.025 0.000 1.074 699 A HN 1.194 nan 8.150 nan 0.000 0.497 700 V N 4.852 124.763 119.914 -0.005 0.000 2.276 700 V HA 0.174 4.294 4.120 -0.000 0.000 0.268 700 V C -0.588 175.524 176.094 0.029 0.000 1.032 700 V CA -0.884 61.392 62.300 -0.041 0.000 0.810 700 V CB 0.429 32.136 31.823 -0.193 0.000 1.060 700 V HN 0.818 nan 8.190 nan 0.000 0.446 701 N N 4.364 123.110 118.700 0.077 0.000 2.437 701 N HA 0.523 5.263 4.740 -0.000 0.000 0.243 701 N C 0.717 176.309 175.510 0.137 0.000 1.041 701 N CA 0.785 53.898 53.050 0.105 0.000 0.940 701 N CB 1.772 40.294 38.487 0.059 0.000 1.133 701 N HN 0.904 nan 8.380 nan 0.000 0.506 702 G N 1.546 110.457 108.800 0.185 0.000 2.782 702 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.228 702 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.228 702 G C -0.200 174.696 174.900 -0.008 0.000 1.372 702 G CA -0.812 44.316 45.100 0.047 0.000 0.862 702 G HN 0.550 nan 8.290 nan 0.000 0.547 703 I N 2.172 122.665 120.570 -0.129 0.000 2.598 703 I HA 0.453 4.623 4.170 -0.000 0.000 0.284 703 I C 1.313 177.422 176.117 -0.015 0.000 1.140 703 I CA 1.711 62.932 61.300 -0.132 0.000 1.420 703 I CB 0.071 37.989 38.000 -0.137 0.000 1.387 703 I HN 1.470 nan 8.210 nan 0.000 0.553 704 G N 4.105 112.939 108.800 0.056 0.000 2.343 704 G HA2 0.244 4.204 3.960 -0.000 0.000 0.289 704 G HA3 0.244 4.204 3.960 -0.000 0.000 0.289 704 G C -1.250 173.758 174.900 0.181 0.000 1.295 704 G CA -0.740 44.415 45.100 0.091 0.000 0.869 704 G HN 0.419 nan 8.290 nan 0.000 0.522 705 T N -0.382 114.276 114.554 0.173 0.000 2.876 705 T HA 0.665 5.015 4.350 -0.000 0.000 0.289 705 T C -0.893 173.820 174.700 0.021 0.000 1.014 705 T CA -0.312 61.886 62.100 0.164 0.000 0.986 705 T CB 1.849 70.889 68.868 0.286 0.000 1.021 705 T HN 1.498 nan 8.240 nan 0.000 0.458 706 V N 4.586 124.455 119.914 -0.075 0.000 2.495 706 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 706 V C -1.326 174.667 176.094 -0.169 0.000 1.031 706 V CA -0.857 61.372 62.300 -0.120 0.000 0.871 706 V CB 0.919 32.663 31.823 -0.131 0.000 0.988 706 V HN 0.855 nan 8.190 nan 0.000 0.432 707 I N 7.255 127.744 120.570 -0.134 0.000 2.466 707 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 707 I C -0.821 175.269 176.117 -0.044 0.000 1.026 707 I CA -0.516 60.733 61.300 -0.086 0.000 1.078 707 I CB 1.880 39.864 38.000 -0.027 0.000 1.249 707 I HN 0.427 nan 8.210 nan 0.000 0.429 708 L N 6.919 128.119 121.223 -0.040 0.000 2.346 708 L HA 0.609 4.948 4.340 -0.000 0.000 0.274 708 L C -1.151 175.773 176.870 0.089 0.000 1.007 708 L CA -0.972 53.856 54.840 -0.021 0.000 0.818 708 L CB 1.793 43.822 42.059 -0.050 0.000 1.284 708 L HN 0.510 nan 8.230 nan 0.000 0.424 709 Y N 1.161 121.406 120.300 -0.092 0.000 2.534 709 Y HA 0.713 5.263 4.550 -0.000 0.000 0.345 709 Y C -1.734 173.901 175.900 -0.443 0.000 1.031 709 Y CA -1.323 56.579 58.100 -0.329 0.000 1.022 709 Y CB 1.462 39.247 38.460 -1.124 0.000 1.292 709 Y HN 0.449 nan 8.280 nan 0.000 0.459 710 L N 4.095 125.148 121.223 -0.284 0.000 2.305 710 L HA 0.873 5.213 4.340 -0.000 0.000 0.284 710 L C 0.234 177.043 176.870 -0.102 0.000 1.013 710 L CA -0.689 53.874 54.840 -0.462 0.000 0.819 710 L CB 1.281 42.933 42.059 -0.678 0.000 1.227 710 L HN 1.119 nan 8.230 nan 0.000 0.417 711 A N 3.688 126.479 122.820 -0.048 0.000 2.262 711 A HA 0.597 4.917 4.320 -0.000 0.000 0.275 711 A C 0.235 177.891 177.584 0.119 0.000 1.402 711 A CA -0.103 52.024 52.037 0.150 0.000 0.817 711 A CB 0.281 19.380 19.000 0.166 0.000 1.271 711 A HN 0.706 nan 8.150 nan 0.000 0.520 712 S N 0.000 115.786 115.700 0.143 0.000 2.498 712 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 712 S CA 0.000 58.258 58.200 0.097 0.000 1.107 712 S CB 0.000 63.267 63.200 0.113 0.000 0.593 712 S HN 0.000 nan 8.310 nan 0.000 0.517