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 1j0i_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIYHRP ADNFAYAYDS ETLHLRLRTK KDDIDRVELL HGDPYDWQNG DATA SEQUENCE AWQFQMMPMR KTGSDELFDY WFAEVKPPYR RLRYGFVLYS GEEKLVYTEK DATA SEQUENCE GFYFEVPTDD TAYYFCFPFL HRVDLFEAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE SISPEGSRPW GSEDPTPTSF FGGDLQGIID HLDYLVDLGI TGIYLTPIFR DATA SEQUENCE SPSNHKYDTA DYFEVDPHFG DKETLKTLID RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVWK NGESSKYKDW FHIHEFPLQT EPRPNYDTFA FVPQMPKLNT DATA SEQUENCE ANPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHEFWRE FRQEVKALKP DATA SEQUENCE DVYILGEIWH DAMPWLRGDQ FDAVMNYPFT DGVLRFFAKE EISARQFANQ DATA SEQUENCE MMHVLHSYPN NVNEAAFNLL GSHDTSRILT VCGGDIRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPM QQNKELHQHV KQLIALRKQY DATA SEQUENCE RSLRRGEISF LHADDEMNYL IYKKTDGDET VLVIINRSDQ KADIPIPLDA DATA SEQUENCE RGTWLVNLLT GERFAAEAET LCTSLPPYGF VLYAIEHW 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 0.000 176.256 176.300 -0.073 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 2 R N 2.436 122.904 120.500 -0.054 0.000 2.235 2 R HA 0.312 4.642 4.340 -0.017 0.000 0.338 2 R C 0.386 176.616 176.300 -0.117 0.000 1.087 2 R CA -0.250 55.810 56.100 -0.067 0.000 0.948 2 R CB 0.289 30.582 30.300 -0.010 0.000 1.099 2 R HN 0.692 nan 8.270 nan 0.000 0.483 3 K N 1.597 121.849 120.400 -0.247 0.000 2.148 3 K HA -0.163 4.147 4.320 -0.017 0.000 0.204 3 K C 0.850 177.394 176.600 -0.092 0.000 1.050 3 K CA 1.443 57.489 56.287 -0.401 0.000 0.942 3 K CB 0.305 32.325 32.500 -0.799 0.000 0.724 3 K HN 0.381 nan 8.250 nan 0.000 0.446 4 E N 0.662 120.839 120.200 -0.038 0.000 2.333 4 E HA -0.138 4.202 4.350 -0.017 0.000 0.198 4 E C 1.528 178.178 176.600 0.083 0.000 1.007 4 E CA 1.138 57.564 56.400 0.043 0.000 0.845 4 E CB -0.128 29.593 29.700 0.036 0.000 0.766 4 E HN 0.334 nan 8.360 nan 0.000 0.507 5 A N 0.483 123.351 122.820 0.079 0.000 2.220 5 A HA 0.209 4.519 4.320 -0.017 0.000 0.211 5 A C 0.806 178.421 177.584 0.052 0.000 1.176 5 A CA -0.257 51.871 52.037 0.150 0.000 0.834 5 A CB 0.006 19.136 19.000 0.216 0.000 0.868 5 A HN 0.115 nan 8.150 nan 0.000 0.488 6 I N -0.003 120.568 120.570 0.002 0.000 2.441 6 I HA 0.305 4.465 4.170 -0.017 0.000 0.287 6 I C -0.413 175.617 176.117 -0.145 0.000 1.049 6 I CA 0.000 61.222 61.300 -0.131 0.000 1.381 6 I CB 0.464 38.337 38.000 -0.210 0.000 1.409 6 I HN 0.325 nan 8.210 nan 0.000 0.523 7 Y N 5.928 126.043 120.300 -0.308 0.000 2.519 7 Y HA 0.538 5.078 4.550 -0.017 0.000 0.336 7 Y C -1.062 174.729 175.900 -0.183 0.000 1.089 7 Y CA -0.834 57.142 58.100 -0.207 0.000 1.025 7 Y CB 1.697 39.995 38.460 -0.270 0.000 1.318 7 Y HN 0.661 nan 8.280 nan 0.000 0.452 8 H N 3.719 122.120 119.070 -1.114 0.000 3.121 8 H HA 0.606 5.152 4.556 -0.016 0.000 0.337 8 H C -1.911 172.692 175.328 -1.207 0.000 1.198 8 H CA -0.811 54.561 56.048 -1.127 0.000 1.274 8 H CB 1.347 30.784 29.762 -0.542 0.000 1.954 8 H HN 0.782 nan 8.280 nan 0.000 0.531 9 R N 4.765 124.265 120.500 -1.666 0.000 2.518 9 R HA 0.250 4.579 4.340 -0.017 0.000 0.287 9 R C -2.705 173.264 176.300 -0.551 0.000 1.135 9 R CA -1.927 53.684 56.100 -0.814 0.000 0.967 9 R CB 1.632 31.670 30.300 -0.437 0.000 1.212 9 R HN 0.488 nan 8.270 nan 0.000 0.422 10 P HA -0.093 nan 4.420 nan 0.000 0.171 10 P C -0.914 176.545 177.300 0.264 0.000 1.189 10 P CA 0.903 64.156 63.100 0.255 0.000 0.880 10 P CB -0.008 31.924 31.700 0.386 0.000 1.564 11 A N -0.211 122.757 122.820 0.246 0.000 2.438 11 A HA 0.483 4.793 4.320 -0.017 0.000 0.301 11 A C -0.243 177.536 177.584 0.324 0.000 1.101 11 A CA -0.258 51.947 52.037 0.280 0.000 0.621 11 A CB 0.257 19.366 19.000 0.182 0.000 1.350 11 A HN 0.228 nan 8.150 nan 0.000 0.496 12 D N -0.192 120.371 120.400 0.271 0.000 3.740 12 D HA -0.285 4.345 4.640 -0.017 0.000 0.147 12 D C 0.950 177.396 176.300 0.243 0.000 0.885 12 D CA 1.906 56.043 54.000 0.229 0.000 1.051 12 D CB -0.795 40.141 40.800 0.227 0.000 0.480 12 D HN 0.946 nan 8.370 nan 0.000 0.469 13 N N 1.156 119.969 118.700 0.188 0.000 2.463 13 N HA -0.060 4.670 4.740 -0.017 0.000 0.181 13 N C 1.809 177.408 175.510 0.149 0.000 1.078 13 N CA 0.861 53.951 53.050 0.067 0.000 0.902 13 N CB -0.434 37.965 38.487 -0.147 0.000 0.970 13 N HN 0.352 nan 8.380 nan 0.000 0.451 14 F N 0.998 121.132 119.950 0.307 0.000 2.569 14 F HA 0.412 4.928 4.527 -0.018 0.000 0.295 14 F C 1.115 177.140 175.800 0.376 0.000 1.115 14 F CA 0.290 58.464 58.000 0.289 0.000 1.450 14 F CB 0.309 39.298 39.000 -0.018 0.000 1.107 14 F HN 0.082 nan 8.300 nan 0.000 0.563 15 A N -0.138 123.006 122.820 0.539 0.000 2.466 15 A HA 0.633 4.943 4.320 -0.017 0.000 0.284 15 A C -1.704 176.158 177.584 0.463 0.000 1.049 15 A CA -0.483 51.795 52.037 0.402 0.000 0.760 15 A CB 0.138 19.473 19.000 0.558 0.000 1.274 15 A HN 0.269 nan 8.150 nan 0.000 0.412 16 Y N -0.858 119.538 120.300 0.161 0.000 2.677 16 Y HA 0.788 5.328 4.550 -0.016 0.000 0.334 16 Y C -0.255 175.620 175.900 -0.043 0.000 1.196 16 Y CA -0.904 57.299 58.100 0.172 0.000 1.059 16 Y CB 0.743 39.309 38.460 0.176 0.000 1.315 16 Y HN 1.180 nan 8.280 nan 0.000 0.455 17 A N 1.383 124.318 122.820 0.192 0.000 2.331 17 A HA 0.405 4.714 4.320 -0.017 0.000 0.283 17 A C -0.586 177.110 177.584 0.186 0.000 1.142 17 A CA -0.335 51.733 52.037 0.051 0.000 0.812 17 A CB 0.063 19.159 19.000 0.160 0.000 1.074 17 A HN 0.986 nan 8.150 nan 0.000 0.497 18 Y N 1.601 121.831 120.300 -0.117 0.000 2.436 18 Y HA 0.169 4.709 4.550 -0.016 0.000 0.288 18 Y C 0.204 176.101 175.900 -0.005 0.000 1.112 18 Y CA 1.351 59.364 58.100 -0.146 0.000 1.220 18 Y CB 0.417 38.573 38.460 -0.506 0.000 1.073 18 Y HN 0.834 nan 8.280 nan 0.000 0.552 19 D N -3.091 117.326 120.400 0.028 0.000 2.768 19 D HA 0.103 4.733 4.640 -0.017 0.000 0.327 19 D C 0.669 176.992 176.300 0.038 0.000 1.302 19 D CA 0.119 54.115 54.000 -0.005 0.000 0.897 19 D CB 0.310 41.120 40.800 0.016 0.000 1.420 19 D HN -0.108 nan 8.370 nan 0.000 0.494 20 S N -1.113 114.609 115.700 0.037 0.000 2.488 20 S HA -0.214 4.245 4.470 -0.017 0.000 0.246 20 S C 0.869 175.481 174.600 0.019 0.000 0.992 20 S CA 1.639 59.866 58.200 0.045 0.000 0.963 20 S CB -0.767 62.462 63.200 0.047 0.000 0.754 20 S HN 0.720 nan 8.310 nan 0.000 0.519 21 E N -1.312 118.892 120.200 0.007 0.000 2.712 21 E HA 0.171 4.511 4.350 -0.017 0.000 0.221 21 E C -0.545 176.029 176.600 -0.044 0.000 0.943 21 E CA -0.313 56.070 56.400 -0.029 0.000 1.259 21 E CB 0.422 30.108 29.700 -0.024 0.000 1.167 21 E HN 0.261 nan 8.360 nan 0.000 0.569 22 T N 1.820 116.368 114.554 -0.009 0.000 2.829 22 T HA 0.542 4.882 4.350 -0.017 0.000 0.280 22 T C -0.521 174.138 174.700 -0.069 0.000 0.999 22 T CA -0.534 61.559 62.100 -0.012 0.000 0.983 22 T CB 1.724 70.656 68.868 0.106 0.000 0.968 22 T HN 0.088 nan 8.240 nan 0.000 0.446 23 L N 2.701 123.812 121.223 -0.186 0.000 2.334 23 L HA 0.526 4.856 4.340 -0.017 0.000 0.273 23 L C 0.069 176.775 176.870 -0.273 0.000 1.013 23 L CA -0.978 53.643 54.840 -0.364 0.000 0.816 23 L CB 1.532 43.226 42.059 -0.608 0.000 1.278 23 L HN 0.619 nan 8.230 nan 0.000 0.431 24 H N 3.354 122.016 119.070 -0.681 0.000 2.492 24 H HA 0.623 5.170 4.556 -0.016 0.000 0.345 24 H C -1.021 173.894 175.328 -0.688 0.000 1.136 24 H CA -0.826 54.768 56.048 -0.755 0.000 1.202 24 H CB 2.295 31.524 29.762 -0.888 0.000 1.524 24 H HN 0.290 nan 8.280 nan 0.000 0.506 25 L N 3.549 124.493 121.223 -0.464 0.000 2.436 25 L HA 0.504 4.834 4.340 -0.017 0.000 0.268 25 L C -0.325 176.557 176.870 0.020 0.000 0.974 25 L CA -0.601 54.139 54.840 -0.167 0.000 0.826 25 L CB 2.318 44.216 42.059 -0.269 0.000 1.291 25 L HN 0.490 nan 8.230 nan 0.000 0.406 26 R N 2.258 122.944 120.500 0.310 0.000 2.873 26 R HA 0.862 5.192 4.340 -0.017 0.000 0.264 26 R C -1.597 174.980 176.300 0.462 0.000 1.026 26 R CA -1.076 55.251 56.100 0.377 0.000 1.002 26 R CB 2.723 33.206 30.300 0.306 0.000 1.174 26 R HN 0.334 nan 8.270 nan 0.000 0.488 27 L N 0.839 122.288 121.223 0.377 0.000 2.505 27 L HA 0.508 4.838 4.340 -0.017 0.000 0.259 27 L C -1.817 175.281 176.870 0.380 0.000 0.952 27 L CA -0.573 54.377 54.840 0.182 0.000 0.840 27 L CB 2.013 43.814 42.059 -0.430 0.000 1.358 27 L HN 0.691 nan 8.230 nan 0.000 0.409 28 R N 1.149 121.821 120.500 0.287 0.000 2.621 28 R HA 0.942 5.272 4.340 -0.017 0.000 0.292 28 R C -0.924 175.365 176.300 -0.019 0.000 0.969 28 R CA -0.032 56.085 56.100 0.029 0.000 0.887 28 R CB 1.667 31.799 30.300 -0.280 0.000 1.180 28 R HN 0.705 nan 8.270 nan 0.000 0.450 29 T N -1.693 112.913 114.554 0.086 0.000 2.831 29 T HA 0.443 4.783 4.350 -0.017 0.000 0.287 29 T C -0.643 174.223 174.700 0.276 0.000 1.070 29 T CA -1.232 60.961 62.100 0.155 0.000 1.010 29 T CB 1.188 70.195 68.868 0.233 0.000 1.264 29 T HN 0.671 nan 8.240 nan 0.000 0.532 30 K N 1.181 121.731 120.400 0.250 0.000 2.412 30 K HA 0.119 4.429 4.320 -0.017 0.000 0.281 30 K C 0.253 176.937 176.600 0.140 0.000 1.027 30 K CA -0.417 55.999 56.287 0.214 0.000 0.989 30 K CB 0.433 33.005 32.500 0.120 0.000 0.935 30 K HN 0.662 nan 8.250 nan 0.000 0.475 31 K N 4.130 124.565 120.400 0.059 0.000 2.473 31 K HA -0.179 4.130 4.320 -0.017 0.000 0.277 31 K C -0.644 175.988 176.600 0.054 0.000 1.052 31 K CA 0.916 57.220 56.287 0.028 0.000 1.114 31 K CB 0.128 32.605 32.500 -0.039 0.000 0.869 31 K HN 0.773 nan 8.250 nan 0.000 0.481 32 D N 2.464 122.915 120.400 0.085 0.000 3.079 32 D HA -0.213 4.417 4.640 -0.017 0.000 0.214 32 D C 0.256 176.624 176.300 0.113 0.000 1.145 32 D CA 1.547 55.605 54.000 0.098 0.000 0.958 32 D CB -0.758 40.079 40.800 0.062 0.000 1.117 32 D HN 0.811 nan 8.370 nan 0.000 0.416 33 D N -0.666 119.812 120.400 0.131 0.000 2.305 33 D HA 0.019 4.649 4.640 -0.017 0.000 0.206 33 D C 0.453 176.830 176.300 0.128 0.000 0.974 33 D CA 0.573 54.638 54.000 0.109 0.000 0.871 33 D CB 0.437 41.292 40.800 0.091 0.000 0.947 33 D HN 0.198 nan 8.370 nan 0.000 0.516 34 I N 0.837 121.528 120.570 0.201 0.000 2.465 34 I HA 0.203 4.363 4.170 -0.017 0.000 0.291 34 I C 0.389 176.663 176.117 0.262 0.000 1.014 34 I CA -0.642 60.766 61.300 0.181 0.000 1.093 34 I CB 1.877 39.940 38.000 0.106 0.000 1.267 34 I HN -0.182 nan 8.210 nan 0.000 0.431 35 D N 4.708 125.219 120.400 0.185 0.000 2.162 35 D HA 0.045 4.674 4.640 -0.017 0.000 0.205 35 D C 0.525 176.957 176.300 0.220 0.000 0.964 35 D CA 1.183 55.307 54.000 0.206 0.000 0.847 35 D CB 0.606 41.490 40.800 0.139 0.000 0.988 35 D HN 0.530 nan 8.370 nan 0.000 0.480 36 R N -0.378 120.161 120.500 0.064 0.000 2.740 36 R HA 0.667 4.996 4.340 -0.017 0.000 0.273 36 R C -1.279 174.865 176.300 -0.259 0.000 0.998 36 R CA -0.756 55.299 56.100 -0.075 0.000 0.900 36 R CB 2.687 32.970 30.300 -0.028 0.000 1.223 36 R HN -0.241 nan 8.270 nan 0.000 0.466 37 V N 1.323 120.963 119.914 -0.456 0.000 2.638 37 V HA 0.367 4.476 4.120 -0.017 0.000 0.306 37 V C -0.670 175.411 176.094 -0.021 0.000 1.052 37 V CA -0.817 61.273 62.300 -0.350 0.000 0.885 37 V CB 2.206 33.506 31.823 -0.873 0.000 0.999 37 V HN 0.718 nan 8.190 nan 0.000 0.424 38 E N 2.889 123.177 120.200 0.148 0.000 2.222 38 E HA 0.524 4.864 4.350 -0.017 0.000 0.267 38 E C -1.317 175.390 176.600 0.178 0.000 0.884 38 E CA -0.998 55.504 56.400 0.169 0.000 0.764 38 E CB 2.958 32.792 29.700 0.223 0.000 1.169 38 E HN 0.488 nan 8.360 nan 0.000 0.413 39 L N 3.879 125.182 121.223 0.134 0.000 2.290 39 L HA 0.347 4.676 4.340 -0.017 0.000 0.284 39 L C -1.152 175.772 176.870 0.090 0.000 1.078 39 L CA -0.136 54.736 54.840 0.053 0.000 0.815 39 L CB 0.653 42.696 42.059 -0.026 0.000 1.162 39 L HN 0.531 nan 8.230 nan 0.000 0.435 40 L N 6.197 127.418 121.223 -0.004 0.000 2.275 40 L HA 0.607 4.937 4.340 -0.017 0.000 0.288 40 L C -0.973 175.921 176.870 0.039 0.000 1.046 40 L CA -0.256 54.589 54.840 0.007 0.000 0.805 40 L CB 0.545 42.517 42.059 -0.145 0.000 1.193 40 L HN 0.991 nan 8.230 nan 0.000 0.426 41 H N 2.335 121.361 119.070 -0.072 0.000 3.037 41 H HA 0.932 5.477 4.556 -0.018 0.000 0.355 41 H C -0.831 174.431 175.328 -0.111 0.000 1.263 41 H CA -0.498 55.528 56.048 -0.037 0.000 1.129 41 H CB 1.802 31.532 29.762 -0.053 0.000 1.861 41 H HN 0.763 nan 8.280 nan 0.000 0.546 42 G N 0.118 108.950 108.800 0.054 0.000 2.466 42 G HA2 0.211 4.160 3.960 -0.017 0.000 0.291 42 G HA3 0.211 4.160 3.960 -0.017 0.000 0.291 42 G C -1.894 173.178 174.900 0.287 0.000 1.460 42 G CA -0.863 44.190 45.100 -0.078 0.000 0.791 42 G HN 0.815 nan 8.290 nan 0.000 0.505 43 D N 0.750 121.302 120.400 0.254 0.000 2.350 43 D HA 0.236 4.866 4.640 -0.017 0.000 0.249 43 D C -1.104 175.497 176.300 0.501 0.000 1.119 43 D CA -1.545 52.674 54.000 0.364 0.000 0.886 43 D CB 2.280 43.283 40.800 0.339 0.000 1.195 43 D HN 0.047 nan 8.370 nan 0.000 0.437 44 P HA -0.112 nan 4.420 nan 0.000 0.234 44 P C 0.094 177.351 177.300 -0.073 0.000 1.167 44 P CA 0.895 63.998 63.100 0.006 0.000 0.763 44 P CB -0.060 31.456 31.700 -0.306 0.000 0.835 45 Y N -1.207 119.333 120.300 0.399 0.000 2.612 45 Y HA 0.297 4.837 4.550 -0.017 0.000 0.250 45 Y C 0.594 176.767 175.900 0.455 0.000 1.175 45 Y CA -0.797 57.541 58.100 0.397 0.000 1.205 45 Y CB 0.079 38.644 38.460 0.175 0.000 1.201 45 Y HN -0.147 nan 8.280 nan 0.000 0.532 46 D N 0.616 121.335 120.400 0.531 0.000 2.441 46 D HA 0.135 4.765 4.640 -0.017 0.000 0.221 46 D C -1.285 175.185 176.300 0.284 0.000 1.156 46 D CA -0.110 54.079 54.000 0.315 0.000 0.896 46 D CB 0.029 40.906 40.800 0.129 0.000 1.028 46 D HN 0.064 nan 8.370 nan 0.000 0.509 47 W N 1.887 123.278 121.300 0.151 0.000 2.844 47 W HA 0.509 5.162 4.660 -0.013 0.000 0.340 47 W C -0.272 176.294 176.519 0.077 0.000 1.093 47 W CA -0.687 56.742 57.345 0.141 0.000 1.212 47 W CB 1.476 31.027 29.460 0.152 0.000 1.422 47 W HN 0.102 nan 8.180 nan 0.000 0.515 48 Q N 1.480 121.441 119.800 0.267 0.000 2.280 48 Q HA 0.214 4.544 4.340 -0.017 0.000 0.259 48 Q C -0.657 175.432 176.000 0.148 0.000 0.964 48 Q CA -0.786 55.113 55.803 0.160 0.000 0.844 48 Q CB 1.848 30.630 28.738 0.072 0.000 1.334 48 Q HN 0.730 nan 8.270 nan 0.000 0.423 49 N N 1.253 120.038 118.700 0.143 0.000 2.756 49 N HA -0.225 4.505 4.740 -0.017 0.000 0.248 49 N C 0.400 176.017 175.510 0.179 0.000 1.062 49 N CA 0.178 53.301 53.050 0.123 0.000 0.696 49 N CB -0.717 37.817 38.487 0.078 0.000 0.946 49 N HN 1.110 nan 8.380 nan 0.000 0.548 50 G N -0.923 108.035 108.800 0.265 0.000 2.296 50 G HA2 -0.176 3.774 3.960 -0.017 0.000 0.282 50 G HA3 -0.176 3.774 3.960 -0.017 0.000 0.282 50 G C 0.116 175.307 174.900 0.486 0.000 1.014 50 G CA 0.639 45.971 45.100 0.387 0.000 0.812 50 G HN 0.987 nan 8.290 nan 0.000 0.508 51 A N -0.731 122.302 122.820 0.355 0.000 2.310 51 A HA 0.553 4.863 4.320 -0.017 0.000 0.304 51 A C -0.219 177.261 177.584 -0.174 0.000 1.231 51 A CA -0.503 51.596 52.037 0.102 0.000 0.799 51 A CB 0.574 19.606 19.000 0.053 0.000 1.162 51 A HN 1.158 nan 8.150 nan 0.000 0.486 52 W N 3.873 124.614 121.300 -0.931 0.000 2.322 52 W HA 0.252 4.905 4.660 -0.011 0.000 0.328 52 W C -0.275 175.989 176.519 -0.424 0.000 1.395 52 W CA 0.175 56.769 57.345 -1.252 0.000 1.267 52 W CB 0.618 29.281 29.460 -1.328 0.000 1.259 52 W HN 0.590 nan 8.180 nan 0.000 0.560 53 Q N 7.414 126.772 119.800 -0.737 0.000 2.279 53 Q HA 0.303 4.633 4.340 -0.017 0.000 0.256 53 Q C -0.696 174.708 176.000 -0.992 0.000 0.937 53 Q CA -0.272 55.132 55.803 -0.665 0.000 0.933 53 Q CB 0.800 29.308 28.738 -0.385 0.000 1.189 53 Q HN 0.489 nan 8.270 nan 0.000 0.417 54 F N -0.546 118.788 119.950 -1.026 0.000 2.662 54 F HA 0.671 5.190 4.527 -0.012 0.000 0.312 54 F C -0.929 174.452 175.800 -0.698 0.000 1.113 54 F CA -1.189 56.173 58.000 -1.063 0.000 0.951 54 F CB 1.310 39.455 39.000 -1.426 0.000 1.344 54 F HN 0.254 nan 8.300 nan 0.000 0.462 55 Q N 1.160 120.543 119.800 -0.695 0.000 2.587 55 Q HA 0.716 5.046 4.340 -0.017 0.000 0.293 55 Q C -1.340 174.493 176.000 -0.279 0.000 1.083 55 Q CA -1.118 54.342 55.803 -0.573 0.000 0.792 55 Q CB 2.475 30.910 28.738 -0.505 0.000 1.484 55 Q HN 0.580 nan 8.270 nan 0.000 0.446 56 M N 1.508 121.031 119.600 -0.129 0.000 2.243 56 M HA 0.510 4.980 4.480 -0.017 0.000 0.324 56 M C -1.303 175.037 176.300 0.067 0.000 1.031 56 M CA -0.178 55.141 55.300 0.031 0.000 0.949 56 M CB 1.475 34.099 32.600 0.040 0.000 1.615 56 M HN 0.708 nan 8.290 nan 0.000 0.430 57 M N 5.145 124.818 119.600 0.121 0.000 2.142 57 M HA 0.486 4.956 4.480 -0.017 0.000 0.299 57 M C -2.597 173.740 176.300 0.061 0.000 0.960 57 M CA -1.428 53.917 55.300 0.075 0.000 0.920 57 M CB 2.527 35.151 32.600 0.041 0.000 1.541 57 M HN 0.220 nan 8.290 nan 0.000 0.429 58 P HA 0.148 nan 4.420 nan 0.000 0.268 58 P C -1.042 176.319 177.300 0.102 0.000 1.204 58 P CA 0.396 63.538 63.100 0.070 0.000 0.768 58 P CB 0.556 32.286 31.700 0.050 0.000 0.842 59 M N 2.534 122.229 119.600 0.158 0.000 2.367 59 M HA 0.379 4.849 4.480 -0.017 0.000 0.339 59 M C 0.616 177.177 176.300 0.434 0.000 1.177 59 M CA -0.482 54.971 55.300 0.256 0.000 1.068 59 M CB 1.544 34.327 32.600 0.304 0.000 1.602 59 M HN 0.197 nan 8.290 nan 0.000 0.457 60 R N 2.190 122.926 120.500 0.392 0.000 2.312 60 R HA 0.261 4.590 4.340 -0.017 0.000 0.311 60 R C -0.547 175.914 176.300 0.268 0.000 1.004 60 R CA -0.579 55.722 56.100 0.335 0.000 0.902 60 R CB 1.019 31.450 30.300 0.217 0.000 1.073 60 R HN 0.593 nan 8.270 nan 0.000 0.457 61 K N 3.057 123.443 120.400 -0.024 0.000 2.363 61 K HA 0.011 4.320 4.320 -0.017 0.000 0.289 61 K C 0.495 177.000 176.600 -0.158 0.000 1.063 61 K CA 0.229 56.219 56.287 -0.495 0.000 0.967 61 K CB 0.756 32.724 32.500 -0.888 0.000 0.987 61 K HN 0.792 nan 8.250 nan 0.000 0.473 62 T N 0.509 115.043 114.554 -0.032 0.000 3.065 62 T HA 0.265 4.605 4.350 -0.017 0.000 0.252 62 T C 0.781 175.551 174.700 0.116 0.000 1.099 62 T CA 0.206 62.352 62.100 0.076 0.000 1.063 62 T CB 0.284 69.251 68.868 0.164 0.000 0.948 62 T HN 0.656 nan 8.240 nan 0.000 0.506 63 G N 0.301 109.108 108.800 0.011 0.000 2.324 63 G HA2 0.451 4.401 3.960 -0.017 0.000 0.293 63 G HA3 0.451 4.401 3.960 -0.017 0.000 0.293 63 G C -1.488 173.380 174.900 -0.053 0.000 1.297 63 G CA -0.326 44.799 45.100 0.043 0.000 0.853 63 G HN 1.039 nan 8.290 nan 0.000 0.535 64 S N -0.559 115.157 115.700 0.026 0.000 2.537 64 S HA 0.724 5.184 4.470 -0.017 0.000 0.271 64 S C -1.004 173.637 174.600 0.068 0.000 1.148 64 S CA 0.117 58.335 58.200 0.030 0.000 0.868 64 S CB 2.380 65.565 63.200 -0.026 0.000 1.115 64 S HN 1.308 nan 8.310 nan 0.000 0.461 65 D N 0.984 121.457 120.400 0.122 0.000 2.589 65 D HA 0.386 5.016 4.640 -0.017 0.000 0.268 65 D C 1.141 177.413 176.300 -0.047 0.000 1.182 65 D CA -0.504 53.544 54.000 0.079 0.000 1.087 65 D CB -0.252 40.706 40.800 0.264 0.000 1.186 65 D HN 0.568 nan 8.370 nan 0.000 0.620 66 E N -1.035 119.105 120.200 -0.100 0.000 2.097 66 E HA -0.148 4.192 4.350 -0.017 0.000 0.196 66 E C 1.521 177.976 176.600 -0.242 0.000 1.000 66 E CA 1.738 58.038 56.400 -0.166 0.000 0.804 66 E CB -0.230 29.362 29.700 -0.180 0.000 0.740 66 E HN 0.539 nan 8.360 nan 0.000 0.454 67 L N -1.569 119.409 121.223 -0.409 0.000 2.642 67 L HA 0.310 4.640 4.340 -0.017 0.000 0.233 67 L C -0.137 176.263 176.870 -0.783 0.000 1.077 67 L CA -0.444 53.962 54.840 -0.723 0.000 0.879 67 L CB 0.319 41.652 42.059 -1.210 0.000 1.151 67 L HN -0.032 nan 8.230 nan 0.000 0.495 68 F N -1.483 118.405 119.950 -0.103 0.000 2.664 68 F HA 0.533 5.049 4.527 -0.018 0.000 0.329 68 F C -0.439 175.170 175.800 -0.318 0.000 1.090 68 F CA -1.264 56.598 58.000 -0.230 0.000 0.978 68 F CB 0.766 39.518 39.000 -0.413 0.000 1.378 68 F HN -0.298 nan 8.300 nan 0.000 0.495 69 D N -0.222 120.102 120.400 -0.127 0.000 2.350 69 D HA 0.325 4.955 4.640 -0.017 0.000 0.245 69 D C -1.496 174.510 176.300 -0.489 0.000 1.036 69 D CA -0.209 53.618 54.000 -0.287 0.000 0.848 69 D CB 1.874 42.535 40.800 -0.232 0.000 1.307 69 D HN 0.311 nan 8.370 nan 0.000 0.469 70 Y N 0.374 120.465 120.300 -0.349 0.000 2.364 70 Y HA 0.377 4.917 4.550 -0.017 0.000 0.340 70 Y C -0.405 175.346 175.900 -0.248 0.000 0.975 70 Y CA -0.820 57.159 58.100 -0.202 0.000 1.089 70 Y CB 1.218 39.453 38.460 -0.375 0.000 1.192 70 Y HN 0.234 nan 8.280 nan 0.000 0.454 71 W N 4.148 125.589 121.300 0.234 0.000 2.551 71 W HA 0.586 5.236 4.660 -0.017 0.000 0.330 71 W C -0.977 175.712 176.519 0.284 0.000 1.063 71 W CA -0.851 56.623 57.345 0.215 0.000 1.222 71 W CB 1.116 30.654 29.460 0.130 0.000 1.349 71 W HN 0.332 nan 8.180 nan 0.000 0.536 72 F N 1.652 121.783 119.950 0.301 0.000 2.577 72 F HA 0.844 5.361 4.527 -0.017 0.000 0.318 72 F C -0.680 175.166 175.800 0.078 0.000 1.065 72 F CA -1.270 56.814 58.000 0.139 0.000 0.929 72 F CB 1.534 40.558 39.000 0.039 0.000 1.237 72 F HN 0.439 nan 8.300 nan 0.000 0.468 73 A N 4.043 126.197 122.820 -1.110 0.000 2.547 73 A HA 0.545 4.854 4.320 -0.017 0.000 0.298 73 A C -1.717 175.202 177.584 -1.109 0.000 1.062 73 A CA -0.805 50.752 52.037 -0.799 0.000 0.748 73 A CB 1.062 19.865 19.000 -0.328 0.000 1.288 73 A HN 0.789 nan 8.150 nan 0.000 0.396 74 E N 0.818 120.551 120.200 -0.778 0.000 2.207 74 E HA 0.790 5.130 4.350 -0.017 0.000 0.270 74 E C -1.004 175.369 176.600 -0.378 0.000 0.927 74 E CA -1.093 54.974 56.400 -0.555 0.000 0.799 74 E CB 2.454 31.957 29.700 -0.329 0.000 1.172 74 E HN 1.123 nan 8.360 nan 0.000 0.404 75 V N 1.413 121.126 119.914 -0.336 0.000 2.891 75 V HA 0.326 4.436 4.120 -0.017 0.000 0.304 75 V C -1.804 174.154 176.094 -0.227 0.000 1.171 75 V CA -0.821 61.283 62.300 -0.327 0.000 0.943 75 V CB 2.068 33.572 31.823 -0.531 0.000 1.037 75 V HN 0.734 nan 8.190 nan 0.000 0.427 76 K N 6.721 127.025 120.400 -0.160 0.000 2.299 76 K HA 0.466 4.776 4.320 -0.017 0.000 0.268 76 K C -2.690 173.848 176.600 -0.104 0.000 1.075 76 K CA -1.586 54.630 56.287 -0.117 0.000 0.936 76 K CB 1.218 33.668 32.500 -0.084 0.000 1.228 76 K HN 0.480 nan 8.250 nan 0.000 0.454 77 P HA -0.036 nan 4.420 nan 0.000 0.263 77 P C -1.698 175.559 177.300 -0.072 0.000 1.195 77 P CA -0.994 62.081 63.100 -0.041 0.000 0.762 77 P CB 0.350 32.029 31.700 -0.035 0.000 0.799 78 P HA -0.193 nan 4.420 nan 0.000 0.216 78 P C 0.073 177.053 177.300 -0.533 0.000 1.154 78 P CA 2.005 64.922 63.100 -0.306 0.000 0.865 78 P CB -0.108 31.442 31.700 -0.250 0.000 0.789 79 Y N -1.462 118.848 120.300 0.017 0.000 2.713 79 Y HA 0.428 4.967 4.550 -0.018 0.000 0.269 79 Y C 0.914 176.753 175.900 -0.103 0.000 1.106 79 Y CA -0.652 57.458 58.100 0.017 0.000 1.174 79 Y CB -0.138 38.380 38.460 0.097 0.000 1.186 79 Y HN -0.177 nan 8.280 nan 0.000 0.555 80 R N -0.122 120.307 120.500 -0.117 0.000 3.946 80 R HA -0.223 4.107 4.340 -0.017 0.000 0.329 80 R C -0.437 175.666 176.300 -0.329 0.000 1.209 80 R CA 0.914 56.792 56.100 -0.369 0.000 0.909 80 R CB -1.394 28.410 30.300 -0.826 0.000 1.355 80 R HN 0.408 nan 8.270 nan 0.000 0.539 81 R N 0.090 120.601 120.500 0.017 0.000 2.740 81 R HA 0.721 5.051 4.340 -0.017 0.000 0.282 81 R C -1.011 175.446 176.300 0.260 0.000 0.969 81 R CA -0.997 55.227 56.100 0.206 0.000 0.918 81 R CB 1.799 32.319 30.300 0.366 0.000 1.175 81 R HN -0.027 nan 8.270 nan 0.000 0.464 82 L N 0.824 122.239 121.223 0.321 0.000 2.545 82 L HA 0.477 4.807 4.340 -0.017 0.000 0.258 82 L C -1.536 175.585 176.870 0.418 0.000 0.942 82 L CA -0.473 54.574 54.840 0.346 0.000 0.855 82 L CB 2.135 44.355 42.059 0.268 0.000 1.374 82 L HN 0.471 nan 8.230 nan 0.000 0.411 83 R N 3.171 123.921 120.500 0.415 0.000 2.561 83 R HA 0.691 5.020 4.340 -0.017 0.000 0.297 83 R C -1.694 174.843 176.300 0.395 0.000 0.969 83 R CA -0.535 55.742 56.100 0.295 0.000 0.879 83 R CB 1.925 32.243 30.300 0.030 0.000 1.178 83 R HN 0.688 nan 8.270 nan 0.000 0.445 84 Y N -1.626 118.744 120.300 0.115 0.000 2.655 84 Y HA 0.843 5.382 4.550 -0.018 0.000 0.336 84 Y C -0.376 175.507 175.900 -0.028 0.000 1.154 84 Y CA -1.272 56.807 58.100 -0.035 0.000 1.055 84 Y CB 1.273 39.657 38.460 -0.125 0.000 1.295 84 Y HN 0.643 nan 8.280 nan 0.000 0.465 85 G N 0.076 108.780 108.800 -0.160 0.000 2.827 85 G HA2 0.688 4.638 3.960 -0.017 0.000 0.296 85 G HA3 0.688 4.638 3.960 -0.017 0.000 0.296 85 G C -2.501 172.083 174.900 -0.527 0.000 1.362 85 G CA -1.108 43.905 45.100 -0.146 0.000 0.809 85 G HN 0.460 nan 8.290 nan 0.000 0.522 86 F N -0.308 119.756 119.950 0.191 0.000 2.557 86 F HA 0.524 5.040 4.527 -0.018 0.000 0.316 86 F C -0.156 175.706 175.800 0.103 0.000 1.141 86 F CA -0.816 57.276 58.000 0.153 0.000 0.922 86 F CB 2.708 41.835 39.000 0.212 0.000 1.194 86 F HN 0.227 nan 8.300 nan 0.000 0.443 87 V N 5.095 125.128 119.914 0.199 0.000 2.347 87 V HA 0.440 4.549 4.120 -0.017 0.000 0.280 87 V C -0.424 175.625 176.094 -0.074 0.000 1.021 87 V CA -0.586 61.724 62.300 0.017 0.000 0.847 87 V CB 1.073 32.895 31.823 -0.002 0.000 0.990 87 V HN 0.455 nan 8.190 nan 0.000 0.444 88 L N 5.941 127.070 121.223 -0.158 0.000 2.322 88 L HA 0.595 4.924 4.340 -0.017 0.000 0.279 88 L C -0.696 176.000 176.870 -0.290 0.000 1.036 88 L CA -0.177 54.576 54.840 -0.144 0.000 0.807 88 L CB 0.955 42.977 42.059 -0.060 0.000 1.226 88 L HN 0.465 nan 8.230 nan 0.000 0.433 89 Y N 0.558 120.837 120.300 -0.036 0.000 2.446 89 Y HA 0.693 5.236 4.550 -0.012 0.000 0.345 89 Y C 0.147 176.054 175.900 0.011 0.000 0.984 89 Y CA -0.729 57.372 58.100 0.002 0.000 1.058 89 Y CB 2.400 40.861 38.460 0.002 0.000 1.220 89 Y HN 0.492 nan 8.280 nan 0.000 0.455 90 S N 1.908 117.715 115.700 0.177 0.000 2.653 90 S HA 0.543 5.002 4.470 -0.017 0.000 0.268 90 S C 0.101 174.766 174.600 0.108 0.000 1.153 90 S CA 0.068 58.342 58.200 0.122 0.000 1.036 90 S CB 0.010 63.260 63.200 0.083 0.000 1.103 90 S HN 1.438 nan 8.310 nan 0.000 0.466 91 G N 4.976 113.836 108.800 0.100 0.000 2.591 91 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.298 91 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.298 91 G C 0.260 175.218 174.900 0.097 0.000 1.195 91 G CA 0.937 46.086 45.100 0.082 0.000 0.989 91 G HN 0.705 nan 8.290 nan 0.000 0.551 92 E N 1.462 121.711 120.200 0.082 0.000 2.474 92 E HA 0.296 4.636 4.350 -0.017 0.000 0.195 92 E C 1.021 177.677 176.600 0.094 0.000 1.039 92 E CA 0.324 56.777 56.400 0.088 0.000 0.881 92 E CB 0.390 30.127 29.700 0.062 0.000 0.970 92 E HN 0.541 nan 8.360 nan 0.000 0.486 93 E N 1.457 121.710 120.200 0.088 0.000 2.354 93 E HA 0.132 4.472 4.350 -0.017 0.000 0.269 93 E C -0.387 176.249 176.600 0.060 0.000 1.036 93 E CA 0.034 56.481 56.400 0.078 0.000 0.876 93 E CB 0.648 30.385 29.700 0.063 0.000 1.009 93 E HN -0.147 nan 8.360 nan 0.000 0.416 94 K N 4.228 124.652 120.400 0.041 0.000 2.464 94 K HA 0.463 4.773 4.320 -0.017 0.000 0.253 94 K C -1.686 174.889 176.600 -0.042 0.000 0.933 94 K CA -0.618 55.617 56.287 -0.087 0.000 0.801 94 K CB 1.048 33.505 32.500 -0.072 0.000 1.271 94 K HN 0.443 nan 8.250 nan 0.000 0.430 95 L N 3.407 124.556 121.223 -0.125 0.000 2.464 95 L HA 0.441 4.770 4.340 -0.017 0.000 0.266 95 L C -1.104 175.778 176.870 0.020 0.000 0.965 95 L CA -1.170 53.654 54.840 -0.026 0.000 0.833 95 L CB 2.417 44.507 42.059 0.051 0.000 1.296 95 L HN 0.335 nan 8.230 nan 0.000 0.405 96 V N 2.903 122.859 119.914 0.069 0.000 2.294 96 V HA 0.201 4.311 4.120 -0.017 0.000 0.272 96 V C -0.765 175.432 176.094 0.171 0.000 1.027 96 V CA -0.559 61.807 62.300 0.109 0.000 0.823 96 V CB 0.916 32.779 31.823 0.065 0.000 1.030 96 V HN 0.452 nan 8.190 nan 0.000 0.457 97 Y N 5.519 125.849 120.300 0.050 0.000 2.365 97 Y HA 0.597 5.136 4.550 -0.018 0.000 0.340 97 Y C 0.588 176.497 175.900 0.014 0.000 1.016 97 Y CA -0.279 57.722 58.100 -0.164 0.000 1.196 97 Y CB 0.963 39.402 38.460 -0.036 0.000 1.167 97 Y HN 0.778 nan 8.280 nan 0.000 0.509 98 T N 0.684 114.893 114.554 -0.576 0.000 2.838 98 T HA 0.259 4.598 4.350 -0.017 0.000 0.292 98 T C 0.683 174.662 174.700 -1.202 0.000 1.113 98 T CA -0.601 61.047 62.100 -0.753 0.000 1.008 98 T CB 1.449 69.956 68.868 -0.601 0.000 1.259 98 T HN 0.666 nan 8.240 nan 0.000 0.520 99 E N 0.085 119.319 120.200 -1.609 0.000 2.204 99 E HA -0.074 4.266 4.350 -0.017 0.000 0.195 99 E C 1.158 177.403 176.600 -0.592 0.000 0.990 99 E CA 0.925 56.559 56.400 -1.278 0.000 0.821 99 E CB -0.026 29.032 29.700 -1.071 0.000 0.750 99 E HN 0.521 nan 8.360 nan 0.000 0.477 100 K N -0.021 120.117 120.400 -0.437 0.000 2.500 100 K HA 0.193 4.503 4.320 -0.017 0.000 0.206 100 K C 0.135 176.672 176.600 -0.106 0.000 1.034 100 K CA 0.196 56.373 56.287 -0.184 0.000 1.179 100 K CB 1.023 33.486 32.500 -0.063 0.000 0.884 100 K HN 0.261 nan 8.250 nan 0.000 0.493 101 G N 0.846 109.504 108.800 -0.237 0.000 2.500 101 G HA2 -0.228 3.722 3.960 -0.017 0.000 0.209 101 G HA3 -0.228 3.722 3.960 -0.017 0.000 0.209 101 G C -0.958 173.723 174.900 -0.366 0.000 1.283 101 G CA -1.022 43.941 45.100 -0.229 0.000 0.960 101 G HN 0.091 nan 8.290 nan 0.000 0.528 102 F N 0.150 119.961 119.950 -0.230 0.000 2.397 102 F HA 0.798 5.314 4.527 -0.018 0.000 0.331 102 F C 0.427 175.766 175.800 -0.770 0.000 1.090 102 F CA -0.282 57.541 58.000 -0.295 0.000 1.065 102 F CB 1.373 40.216 39.000 -0.262 0.000 1.184 102 F HN 0.486 nan 8.300 nan 0.000 0.499 103 Y N 0.100 120.247 120.300 -0.255 0.000 2.633 103 Y HA 0.438 4.978 4.550 -0.017 0.000 0.339 103 Y C -0.059 175.520 175.900 -0.534 0.000 1.045 103 Y CA -1.081 56.795 58.100 -0.374 0.000 1.098 103 Y CB 1.135 39.456 38.460 -0.232 0.000 1.296 103 Y HN 0.407 nan 8.280 nan 0.000 0.494 104 F N -0.407 119.632 119.950 0.147 0.000 2.678 104 F HA 0.350 4.865 4.527 -0.019 0.000 0.305 104 F C 0.084 175.919 175.800 0.058 0.000 1.090 104 F CA 0.009 58.054 58.000 0.076 0.000 1.272 104 F CB 0.724 39.751 39.000 0.043 0.000 1.060 104 F HN 0.297 nan 8.300 nan 0.000 0.576 105 E N -0.392 119.918 120.200 0.182 0.000 2.378 105 E HA 0.309 4.648 4.350 -0.017 0.000 0.283 105 E C -1.092 175.519 176.600 0.018 0.000 0.979 105 E CA -0.577 55.884 56.400 0.102 0.000 0.795 105 E CB 1.695 31.463 29.700 0.115 0.000 1.221 105 E HN -0.196 nan 8.360 nan 0.000 0.428 106 V N 5.895 125.801 119.914 -0.014 0.000 2.486 106 V HA 0.133 4.243 4.120 -0.017 0.000 0.290 106 V C -1.659 174.326 176.094 -0.183 0.000 0.991 106 V CA -0.237 61.999 62.300 -0.106 0.000 1.142 106 V CB -0.465 31.294 31.823 -0.106 0.000 0.926 106 V HN 0.499 nan 8.190 nan 0.000 0.472 107 P HA 0.276 nan 4.420 nan 0.000 0.285 107 P C 0.241 177.361 177.300 -0.299 0.000 1.259 107 P CA -0.232 62.548 63.100 -0.533 0.000 0.794 107 P CB 1.411 32.291 31.700 -1.366 0.000 0.940 108 T N -2.975 111.522 114.554 -0.096 0.000 3.209 108 T HA 0.060 4.399 4.350 -0.017 0.000 0.295 108 T C 0.667 175.444 174.700 0.128 0.000 0.977 108 T CA -0.279 61.854 62.100 0.055 0.000 0.922 108 T CB -0.482 68.444 68.868 0.098 0.000 1.152 108 T HN 0.336 nan 8.240 nan 0.000 0.527 109 D N 0.626 121.127 120.400 0.168 0.000 2.355 109 D HA 0.128 4.758 4.640 -0.017 0.000 0.218 109 D C 0.240 176.771 176.300 0.385 0.000 1.004 109 D CA 0.170 54.330 54.000 0.266 0.000 0.880 109 D CB 0.201 41.119 40.800 0.196 0.000 0.911 109 D HN 0.523 nan 8.370 nan 0.000 0.528 110 D N -1.692 118.934 120.400 0.378 0.000 2.728 110 D HA 0.060 4.690 4.640 -0.017 0.000 0.249 110 D C 0.392 176.752 176.300 0.099 0.000 1.225 110 D CA -0.023 54.158 54.000 0.303 0.000 0.748 110 D CB 1.111 41.946 40.800 0.059 0.000 1.326 110 D HN -0.169 nan 8.370 nan 0.000 0.426 111 T N -0.866 113.629 114.554 -0.099 0.000 3.065 111 T HA 0.316 4.655 4.350 -0.017 0.000 0.252 111 T C 1.753 176.278 174.700 -0.292 0.000 1.099 111 T CA 0.747 62.623 62.100 -0.374 0.000 1.063 111 T CB 0.059 68.566 68.868 -0.601 0.000 0.948 111 T HN 0.397 nan 8.240 nan 0.000 0.506 112 A N 0.865 123.477 122.820 -0.346 0.000 2.076 112 A HA -0.018 4.291 4.320 -0.017 0.000 0.220 112 A C 1.858 179.122 177.584 -0.533 0.000 1.160 112 A CA 1.102 52.885 52.037 -0.424 0.000 0.653 112 A CB -1.101 17.631 19.000 -0.448 0.000 0.801 112 A HN 0.668 nan 8.150 nan 0.000 0.455 113 Y N -1.620 118.307 120.300 -0.623 0.000 2.242 113 Y HA -0.053 4.488 4.550 -0.015 0.000 0.291 113 Y C 0.741 176.055 175.900 -0.977 0.000 1.137 113 Y CA 0.502 58.090 58.100 -0.855 0.000 1.181 113 Y CB -0.718 36.972 38.460 -1.283 0.000 0.989 113 Y HN 0.346 nan 8.280 nan 0.000 0.527 114 Y N -0.588 119.488 120.300 -0.375 0.000 2.336 114 Y HA 0.234 4.774 4.550 -0.016 0.000 0.331 114 Y C 0.245 175.812 175.900 -0.554 0.000 1.211 114 Y CA -1.717 56.081 58.100 -0.502 0.000 1.346 114 Y CB 0.118 38.331 38.460 -0.411 0.000 1.271 114 Y HN -0.213 nan 8.280 nan 0.000 0.538 115 F N 0.823 120.519 119.950 -0.423 0.000 2.535 115 F HA 0.206 4.722 4.527 -0.018 0.000 0.332 115 F C 0.605 176.143 175.800 -0.436 0.000 1.208 115 F CA -0.133 57.550 58.000 -0.528 0.000 1.330 115 F CB 0.290 38.756 39.000 -0.890 0.000 1.167 115 F HN 0.410 nan 8.300 nan 0.000 0.597 116 C N 3.058 122.408 119.300 0.085 0.000 2.686 116 C HA 0.577 5.027 4.460 -0.017 0.000 0.318 116 C C -1.147 174.096 174.990 0.421 0.000 1.160 116 C CA -1.071 58.089 59.018 0.236 0.000 1.396 116 C CB 0.011 27.812 27.740 0.101 0.000 1.924 116 C HN 0.668 nan 8.230 nan 0.000 0.471 117 F N 8.691 128.877 119.950 0.394 0.000 2.453 117 F HA 0.433 4.950 4.527 -0.017 0.000 0.358 117 F C -1.190 174.759 175.800 0.249 0.000 1.129 117 F CA -2.082 56.106 58.000 0.313 0.000 1.200 117 F CB 1.262 40.416 39.000 0.258 0.000 1.431 117 F HN 0.559 nan 8.300 nan 0.000 0.503 118 P HA -0.244 nan 4.420 nan 0.000 0.218 118 P C -0.019 177.494 177.300 0.355 0.000 1.165 118 P CA 1.749 64.972 63.100 0.205 0.000 0.922 118 P CB 0.441 32.219 31.700 0.131 0.000 0.794 119 F N -2.295 117.721 119.950 0.109 0.000 2.672 119 F HA 0.428 4.945 4.527 -0.016 0.000 0.311 119 F C -1.142 174.746 175.800 0.146 0.000 1.113 119 F CA -1.009 57.060 58.000 0.115 0.000 0.996 119 F CB 1.376 40.374 39.000 -0.004 0.000 1.286 119 F HN -0.298 nan 8.300 nan 0.000 0.441 120 L N 5.849 126.961 121.223 -0.186 0.000 2.283 120 L HA 0.378 4.708 4.340 -0.017 0.000 0.287 120 L C -1.127 175.784 176.870 0.067 0.000 1.073 120 L CA -0.180 54.722 54.840 0.104 0.000 0.822 120 L CB 0.072 42.093 42.059 -0.063 0.000 1.186 120 L HN 0.647 nan 8.230 nan 0.000 0.436 121 H N 3.129 122.425 119.070 0.376 0.000 2.466 121 H HA 0.355 4.901 4.556 -0.017 0.000 0.338 121 H C 0.447 175.901 175.328 0.210 0.000 1.091 121 H CA -0.706 55.533 56.048 0.318 0.000 1.207 121 H CB 1.534 31.456 29.762 0.267 0.000 1.466 121 H HN 0.472 nan 8.280 nan 0.000 0.493 122 R N 1.612 122.280 120.500 0.279 0.000 2.120 122 R HA -0.113 4.217 4.340 -0.017 0.000 0.234 122 R C 1.395 177.792 176.300 0.162 0.000 1.123 122 R CA 1.125 57.332 56.100 0.179 0.000 0.975 122 R CB -0.136 30.245 30.300 0.135 0.000 0.866 122 R HN 0.350 nan 8.270 nan 0.000 0.446 123 V N 1.482 121.505 119.914 0.181 0.000 2.515 123 V HA -0.187 3.923 4.120 -0.017 0.000 0.250 123 V C 1.093 177.255 176.094 0.113 0.000 1.058 123 V CA 1.751 64.122 62.300 0.119 0.000 1.064 123 V CB -0.301 31.573 31.823 0.085 0.000 0.675 123 V HN 0.244 nan 8.190 nan 0.000 0.461 124 D N -0.506 119.995 120.400 0.167 0.000 2.339 124 D HA 0.129 4.759 4.640 -0.017 0.000 0.217 124 D C 0.648 177.064 176.300 0.193 0.000 1.050 124 D CA -0.071 54.027 54.000 0.162 0.000 0.856 124 D CB 0.136 41.050 40.800 0.191 0.000 0.922 124 D HN 0.291 nan 8.370 nan 0.000 0.518 125 L N 0.941 122.275 121.223 0.185 0.000 2.485 125 L HA 0.124 4.454 4.340 -0.017 0.000 0.275 125 L C -0.362 176.598 176.870 0.150 0.000 1.207 125 L CA -0.178 54.770 54.840 0.181 0.000 0.855 125 L CB 0.239 42.376 42.059 0.130 0.000 1.114 125 L HN -0.167 nan 8.230 nan 0.000 0.485 126 F N 4.858 124.838 119.950 0.051 0.000 2.420 126 F HA 0.408 4.924 4.527 -0.017 0.000 0.352 126 F C -0.003 175.781 175.800 -0.027 0.000 1.108 126 F CA -0.066 57.940 58.000 0.011 0.000 1.162 126 F CB 0.390 39.381 39.000 -0.016 0.000 1.118 126 F HN 0.636 nan 8.300 nan 0.000 0.510 127 E N 5.253 125.075 120.200 -0.630 0.000 2.313 127 E HA 0.571 4.911 4.350 -0.017 0.000 0.280 127 E C -1.815 174.511 176.600 -0.456 0.000 0.898 127 E CA -0.741 55.437 56.400 -0.371 0.000 0.803 127 E CB 1.301 30.902 29.700 -0.165 0.000 1.286 127 E HN 0.818 nan 8.360 nan 0.000 0.401 128 A N 4.461 127.096 122.820 -0.308 0.000 2.294 128 A HA 0.711 5.021 4.320 -0.017 0.000 0.330 128 A C -2.494 175.009 177.584 -0.135 0.000 1.133 128 A CA -1.669 50.260 52.037 -0.179 0.000 0.836 128 A CB 0.606 19.601 19.000 -0.009 0.000 1.190 128 A HN 0.458 nan 8.150 nan 0.000 0.492 129 P HA -0.020 nan 4.420 nan 0.000 0.257 129 P C 0.411 177.462 177.300 -0.415 0.000 1.189 129 P CA 0.231 63.190 63.100 -0.234 0.000 0.780 129 P CB 0.429 31.950 31.700 -0.298 0.000 0.772 130 D N 3.908 124.207 120.400 -0.168 0.000 2.172 130 D HA -0.185 4.445 4.640 -0.017 0.000 0.196 130 D C 1.265 177.492 176.300 -0.122 0.000 0.999 130 D CA 1.291 55.223 54.000 -0.113 0.000 0.856 130 D CB 0.034 40.832 40.800 -0.003 0.000 0.934 130 D HN 0.537 nan 8.370 nan 0.000 0.453 131 W N 1.620 122.886 121.300 -0.055 0.000 2.421 131 W HA -0.095 4.555 4.660 -0.017 0.000 0.270 131 W C 1.733 178.177 176.519 -0.125 0.000 1.233 131 W CA 1.175 58.470 57.345 -0.083 0.000 1.226 131 W CB -1.173 28.238 29.460 -0.082 0.000 1.121 131 W HN -0.065 nan 8.180 nan 0.000 0.579 132 V N 0.198 119.616 119.914 -0.828 0.000 2.970 132 V HA -0.112 3.998 4.120 -0.017 0.000 0.260 132 V C 2.269 178.185 176.094 -0.297 0.000 1.100 132 V CA 1.451 63.313 62.300 -0.731 0.000 1.122 132 V CB -0.775 30.309 31.823 -1.232 0.000 0.721 132 V HN 0.059 nan 8.190 nan 0.000 0.483 133 K N 0.669 120.938 120.400 -0.218 0.000 2.147 133 K HA -0.090 4.220 4.320 -0.017 0.000 0.205 133 K C 1.325 177.885 176.600 -0.066 0.000 1.049 133 K CA 1.675 57.896 56.287 -0.110 0.000 0.936 133 K CB -0.189 32.265 32.500 -0.077 0.000 0.722 133 K HN 0.545 nan 8.250 nan 0.000 0.446 134 D N 0.282 120.653 120.400 -0.048 0.000 2.363 134 D HA 0.026 4.656 4.640 -0.017 0.000 0.214 134 D C 0.008 176.277 176.300 -0.051 0.000 1.093 134 D CA 0.305 54.286 54.000 -0.031 0.000 0.837 134 D CB 0.576 41.371 40.800 -0.009 0.000 0.948 134 D HN 0.004 nan 8.370 nan 0.000 0.507 135 T N 0.593 115.095 114.554 -0.087 0.000 2.909 135 T HA 0.364 4.704 4.350 -0.017 0.000 0.289 135 T C 0.217 174.803 174.700 -0.191 0.000 1.005 135 T CA -0.288 61.696 62.100 -0.194 0.000 1.084 135 T CB 2.499 71.146 68.868 -0.367 0.000 0.975 135 T HN -0.280 nan 8.240 nan 0.000 0.509 136 V N 3.115 122.904 119.914 -0.209 0.000 2.380 136 V HA 0.319 4.429 4.120 -0.017 0.000 0.286 136 V C -0.808 175.255 176.094 -0.052 0.000 1.015 136 V CA -1.107 61.151 62.300 -0.071 0.000 0.834 136 V CB 0.730 32.539 31.823 -0.024 0.000 1.009 136 V HN 0.835 nan 8.190 nan 0.000 0.428 137 W N 3.381 124.711 121.300 0.049 0.000 2.183 137 W HA 0.542 5.192 4.660 -0.017 0.000 0.348 137 W C -0.391 176.252 176.519 0.206 0.000 1.257 137 W CA -0.157 57.277 57.345 0.150 0.000 1.324 137 W CB 0.586 30.148 29.460 0.169 0.000 1.144 137 W HN 0.536 nan 8.180 nan 0.000 0.622 138 Y N 1.553 122.104 120.300 0.418 0.000 2.354 138 Y HA 0.220 4.759 4.550 -0.017 0.000 0.330 138 Y C -0.430 175.640 175.900 0.282 0.000 1.011 138 Y CA -1.250 57.014 58.100 0.273 0.000 1.099 138 Y CB 1.208 39.770 38.460 0.170 0.000 1.179 138 Y HN 0.419 nan 8.280 nan 0.000 0.442 139 Q N 6.472 126.320 119.800 0.079 0.000 2.256 139 Q HA 0.592 4.922 4.340 -0.017 0.000 0.254 139 Q C -1.455 174.513 176.000 -0.054 0.000 0.916 139 Q CA -0.461 55.387 55.803 0.076 0.000 0.932 139 Q CB 0.878 29.753 28.738 0.228 0.000 1.207 139 Q HN 0.781 nan 8.270 nan 0.000 0.426 140 I N 3.761 124.227 120.570 -0.173 0.000 2.465 140 I HA 0.269 4.429 4.170 -0.017 0.000 0.291 140 I C -0.992 174.953 176.117 -0.288 0.000 1.014 140 I CA -0.846 60.254 61.300 -0.332 0.000 1.093 140 I CB 1.440 39.131 38.000 -0.514 0.000 1.267 140 I HN 0.623 nan 8.210 nan 0.000 0.431 141 F N 9.260 128.910 119.950 -0.500 0.000 2.309 141 F HA 0.445 4.962 4.527 -0.017 0.000 0.366 141 F C -1.843 173.756 175.800 -0.336 0.000 1.104 141 F CA -2.458 55.358 58.000 -0.305 0.000 1.179 141 F CB 0.708 39.672 39.000 -0.060 0.000 1.437 141 F HN 0.278 nan 8.300 nan 0.000 0.528 142 P HA -0.291 nan 4.420 nan 0.000 0.219 142 P C 1.523 178.517 177.300 -0.511 0.000 1.158 142 P CA 1.564 64.243 63.100 -0.702 0.000 0.895 142 P CB 0.220 31.125 31.700 -1.324 0.000 0.792 143 E N -1.076 118.858 120.200 -0.443 0.000 2.331 143 E HA -0.182 4.158 4.350 -0.017 0.000 0.199 143 E C 1.160 177.907 176.600 0.246 0.000 1.008 143 E CA 0.957 57.423 56.400 0.109 0.000 0.843 143 E CB 0.002 29.797 29.700 0.159 0.000 0.761 143 E HN 0.176 nan 8.360 nan 0.000 0.507 144 R N -1.552 119.048 120.500 0.167 0.000 2.535 144 R HA 0.094 4.424 4.340 -0.017 0.000 0.323 144 R C 1.374 177.816 176.300 0.236 0.000 0.979 144 R CA -0.232 55.956 56.100 0.147 0.000 1.120 144 R CB -0.381 30.019 30.300 0.167 0.000 1.306 144 R HN 0.085 nan 8.270 nan 0.000 0.540 145 F N 1.280 121.293 119.950 0.105 0.000 2.188 145 F HA 0.393 4.910 4.527 -0.017 0.000 0.289 145 F C 0.269 176.389 175.800 0.534 0.000 1.082 145 F CA 0.368 58.457 58.000 0.147 0.000 1.282 145 F CB 0.422 39.406 39.000 -0.027 0.000 1.060 145 F HN -0.053 nan 8.300 nan 0.000 0.493 146 A N 0.319 123.365 122.820 0.377 0.000 2.547 146 A HA 0.350 4.660 4.320 -0.017 0.000 0.298 146 A C -1.446 176.044 177.584 -0.157 0.000 1.062 146 A CA -0.664 51.330 52.037 -0.073 0.000 0.748 146 A CB 0.013 19.051 19.000 0.062 0.000 1.288 146 A HN 0.120 nan 8.150 nan 0.000 0.396 147 N N 1.932 120.341 118.700 -0.485 0.000 2.663 147 N HA 0.317 5.047 4.740 -0.017 0.000 0.250 147 N C 1.048 176.457 175.510 -0.168 0.000 1.129 147 N CA 0.531 53.460 53.050 -0.202 0.000 0.995 147 N CB 0.617 38.998 38.487 -0.177 0.000 1.324 147 N HN 0.777 nan 8.380 nan 0.000 0.512 148 G N 1.695 110.440 108.800 -0.092 0.000 3.042 148 G HA2 -0.063 3.887 3.960 -0.017 0.000 0.212 148 G HA3 -0.063 3.887 3.960 -0.017 0.000 0.212 148 G C 0.308 175.177 174.900 -0.052 0.000 1.166 148 G CA -0.232 44.809 45.100 -0.098 0.000 0.767 148 G HN 0.558 nan 8.290 nan 0.000 0.546 149 N N -0.289 118.400 118.700 -0.017 0.000 2.839 149 N HA 0.226 4.956 4.740 -0.017 0.000 0.230 149 N C -2.435 173.088 175.510 0.021 0.000 1.388 149 N CA -1.199 51.855 53.050 0.006 0.000 0.747 149 N CB 1.790 40.296 38.487 0.033 0.000 1.411 149 N HN -0.221 nan 8.380 nan 0.000 0.556 150 P HA -0.122 nan 4.420 nan 0.000 0.219 150 P C 1.323 178.632 177.300 0.015 0.000 1.146 150 P CA 1.262 64.372 63.100 0.016 0.000 0.808 150 P CB 0.316 32.020 31.700 0.005 0.000 0.779 151 S N -0.113 115.595 115.700 0.014 0.000 2.423 151 S HA -0.123 4.337 4.470 -0.017 0.000 0.231 151 S C 1.818 176.425 174.600 0.012 0.000 1.014 151 S CA 1.066 59.272 58.200 0.011 0.000 0.965 151 S CB -1.504 61.705 63.200 0.014 0.000 0.785 151 S HN 0.331 nan 8.310 nan 0.000 0.495 152 I N -0.402 120.187 120.570 0.031 0.000 3.578 152 I HA 0.233 4.393 4.170 -0.017 0.000 0.295 152 I C 0.037 176.145 176.117 -0.015 0.000 1.280 152 I CA -0.419 60.910 61.300 0.048 0.000 1.347 152 I CB -0.410 37.654 38.000 0.106 0.000 1.051 152 I HN -0.014 nan 8.210 nan 0.000 0.460 153 S N 4.525 120.207 115.700 -0.030 0.000 2.560 153 S HA 0.171 4.630 4.470 -0.017 0.000 0.284 153 S C -2.059 172.359 174.600 -0.302 0.000 1.327 153 S CA -0.642 57.507 58.200 -0.085 0.000 1.055 153 S CB -0.102 63.106 63.200 0.012 0.000 0.868 153 S HN 0.312 nan 8.310 nan 0.000 0.506 154 P HA 0.189 nan 4.420 nan 0.000 0.271 154 P C -0.459 176.608 177.300 -0.388 0.000 1.220 154 P CA -0.267 62.374 63.100 -0.764 0.000 0.768 154 P CB 0.402 31.396 31.700 -1.175 0.000 0.848 155 E N 1.510 121.550 120.200 -0.266 0.000 2.467 155 E HA 0.253 4.593 4.350 -0.017 0.000 0.264 155 E C 1.480 177.995 176.600 -0.143 0.000 1.020 155 E CA 1.815 58.126 56.400 -0.148 0.000 0.945 155 E CB -0.350 29.291 29.700 -0.098 0.000 0.942 155 E HN 0.781 nan 8.360 nan 0.000 0.449 156 G N 1.710 110.465 108.800 -0.077 0.000 2.176 156 G HA2 -0.286 3.664 3.960 -0.017 0.000 0.232 156 G HA3 -0.286 3.664 3.960 -0.017 0.000 0.232 156 G C 0.213 175.095 174.900 -0.031 0.000 0.986 156 G CA 0.070 45.143 45.100 -0.045 0.000 0.643 156 G HN 0.466 nan 8.290 nan 0.000 0.522 157 S N 1.952 117.631 115.700 -0.036 0.000 2.533 157 S HA 0.464 4.924 4.470 -0.017 0.000 0.282 157 S C 0.937 175.514 174.600 -0.039 0.000 1.304 157 S CA -0.333 57.866 58.200 -0.003 0.000 1.063 157 S CB 0.742 63.977 63.200 0.059 0.000 0.881 157 S HN 0.433 nan 8.310 nan 0.000 0.493 158 R N 2.514 122.899 120.500 -0.192 0.000 2.582 158 R HA 0.322 4.652 4.340 -0.017 0.000 0.271 158 R C -2.624 173.734 176.300 0.096 0.000 1.078 158 R CA -2.374 53.632 56.100 -0.156 0.000 1.127 158 R CB -0.803 29.223 30.300 -0.456 0.000 1.038 158 R HN 0.339 nan 8.270 nan 0.000 0.500 159 P HA -0.051 nan 4.420 nan 0.000 0.268 159 P C -0.125 177.423 177.300 0.413 0.000 1.204 159 P CA -0.127 63.126 63.100 0.254 0.000 0.768 159 P CB 0.367 32.173 31.700 0.177 0.000 0.842 160 W N 4.096 125.544 121.300 0.245 0.000 2.549 160 W HA -0.044 4.606 4.660 -0.017 0.000 0.343 160 W C 0.957 177.578 176.519 0.170 0.000 1.278 160 W CA 1.708 59.201 57.345 0.246 0.000 1.277 160 W CB -0.293 29.263 29.460 0.159 0.000 1.249 160 W HN 0.839 nan 8.180 nan 0.000 0.572 161 G N 3.211 111.825 108.800 -0.309 0.000 2.233 161 G HA2 -0.408 3.542 3.960 -0.017 0.000 0.270 161 G HA3 -0.408 3.542 3.960 -0.017 0.000 0.270 161 G C 1.057 175.958 174.900 0.002 0.000 1.011 161 G CA 0.799 45.734 45.100 -0.276 0.000 0.762 161 G HN 0.905 nan 8.290 nan 0.000 0.511 162 S N -0.830 114.965 115.700 0.159 0.000 2.453 162 S HA 0.280 4.740 4.470 -0.017 0.000 0.231 162 S C 0.818 175.497 174.600 0.131 0.000 1.005 162 S CA 1.260 59.550 58.200 0.150 0.000 0.949 162 S CB 0.037 63.339 63.200 0.170 0.000 0.774 162 S HN 1.297 nan 8.310 nan 0.000 0.510 163 E N -0.537 119.776 120.200 0.188 0.000 2.449 163 E HA 0.466 4.806 4.350 -0.017 0.000 0.278 163 E C -2.158 174.530 176.600 0.146 0.000 1.059 163 E CA -1.129 55.360 56.400 0.148 0.000 0.854 163 E CB 0.057 29.848 29.700 0.152 0.000 1.465 163 E HN -0.094 nan 8.360 nan 0.000 0.462 164 D N 2.293 122.755 120.400 0.103 0.000 2.302 164 D HA 0.275 4.905 4.640 -0.017 0.000 0.248 164 D C -2.013 174.392 176.300 0.175 0.000 1.094 164 D CA -1.203 52.838 54.000 0.068 0.000 0.897 164 D CB 0.816 41.637 40.800 0.034 0.000 1.200 164 D HN 0.200 nan 8.370 nan 0.000 0.429 165 P HA 0.094 nan 4.420 nan 0.000 0.272 165 P C -0.346 177.048 177.300 0.156 0.000 1.230 165 P CA -0.309 62.959 63.100 0.281 0.000 0.788 165 P CB 0.799 32.618 31.700 0.197 0.000 0.949 166 T N -3.125 111.515 114.554 0.142 0.000 2.858 166 T HA 0.462 4.802 4.350 -0.017 0.000 0.285 166 T C -2.165 172.582 174.700 0.079 0.000 1.052 166 T CA -1.964 60.186 62.100 0.083 0.000 1.009 166 T CB 0.781 69.685 68.868 0.059 0.000 1.241 166 T HN 0.041 nan 8.240 nan 0.000 0.542 167 P HA 0.021 nan 4.420 nan 0.000 0.222 167 P C 1.190 178.533 177.300 0.072 0.000 1.147 167 P CA 1.172 64.327 63.100 0.092 0.000 0.790 167 P CB -0.030 31.720 31.700 0.084 0.000 0.780 168 T N -6.164 108.403 114.554 0.021 0.000 3.043 168 T HA 0.172 4.512 4.350 -0.017 0.000 0.272 168 T C 0.695 175.300 174.700 -0.158 0.000 0.990 168 T CA -0.268 61.804 62.100 -0.047 0.000 0.897 168 T CB -0.608 68.290 68.868 0.051 0.000 1.111 168 T HN 0.060 nan 8.240 nan 0.000 0.529 169 S N 0.929 116.562 115.700 -0.111 0.000 2.584 169 S HA 0.604 5.064 4.470 -0.017 0.000 0.270 169 S C -0.695 173.711 174.600 -0.323 0.000 1.346 169 S CA -0.503 57.615 58.200 -0.138 0.000 1.018 169 S CB -0.022 63.114 63.200 -0.106 0.000 0.899 169 S HN 0.286 nan 8.310 nan 0.000 0.542 170 F N 0.206 120.033 119.950 -0.205 0.000 2.565 170 F HA 0.587 5.104 4.527 -0.017 0.000 0.313 170 F C -0.120 175.493 175.800 -0.311 0.000 1.091 170 F CA -1.021 56.937 58.000 -0.070 0.000 0.915 170 F CB 1.922 40.909 39.000 -0.023 0.000 1.208 170 F HN 0.586 nan 8.300 nan 0.000 0.453 171 F N 0.219 120.366 119.950 0.328 0.000 2.798 171 F HA 0.348 4.865 4.527 -0.017 0.000 0.328 171 F C 1.384 177.452 175.800 0.447 0.000 1.098 171 F CA 0.076 58.252 58.000 0.293 0.000 1.172 171 F CB 0.956 40.001 39.000 0.074 0.000 1.072 171 F HN 0.673 nan 8.300 nan 0.000 0.555 172 G N 0.677 109.808 108.800 0.551 0.000 2.141 172 G HA2 -0.180 3.769 3.960 -0.017 0.000 0.242 172 G HA3 -0.180 3.769 3.960 -0.017 0.000 0.242 172 G C 0.734 175.901 174.900 0.444 0.000 0.982 172 G CA -0.274 45.081 45.100 0.426 0.000 0.662 172 G HN 0.710 nan 8.290 nan 0.000 0.527 173 G N 0.231 109.371 108.800 0.567 0.000 2.484 173 G HA2 0.540 4.490 3.960 -0.017 0.000 0.235 173 G HA3 0.540 4.490 3.960 -0.017 0.000 0.235 173 G C 0.038 175.074 174.900 0.226 0.000 1.282 173 G CA 0.964 46.309 45.100 0.408 0.000 0.857 173 G HN 1.174 nan 8.290 nan 0.000 0.571 174 D N -0.031 120.425 120.400 0.094 0.000 2.643 174 D HA 0.255 4.885 4.640 -0.017 0.000 0.283 174 D C 0.696 176.975 176.300 -0.035 0.000 1.242 174 D CA -0.933 53.097 54.000 0.051 0.000 0.863 174 D CB 0.526 41.422 40.800 0.161 0.000 1.382 174 D HN 0.100 nan 8.370 nan 0.000 0.444 175 L N -0.380 120.832 121.223 -0.018 0.000 2.131 175 L HA -0.048 4.282 4.340 -0.017 0.000 0.210 175 L C 2.285 179.170 176.870 0.024 0.000 1.092 175 L CA 1.633 56.462 54.840 -0.018 0.000 0.759 175 L CB -0.987 41.088 42.059 0.026 0.000 0.903 175 L HN 0.593 nan 8.230 nan 0.000 0.435 176 Q N -0.182 119.640 119.800 0.036 0.000 2.084 176 Q HA -0.105 4.224 4.340 -0.017 0.000 0.202 176 Q C 2.222 178.222 176.000 -0.001 0.000 0.978 176 Q CA 1.859 57.671 55.803 0.015 0.000 0.844 176 Q CB -0.789 27.955 28.738 0.009 0.000 0.898 176 Q HN 0.402 nan 8.270 nan 0.000 0.426 177 G N 0.107 108.919 108.800 0.020 0.000 2.470 177 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.220 177 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.220 177 G C 1.365 176.380 174.900 0.192 0.000 1.121 177 G CA 0.860 45.981 45.100 0.036 0.000 0.766 177 G HN 0.421 nan 8.290 nan 0.000 0.553 178 I N 0.162 120.865 120.570 0.222 0.000 2.277 178 I HA -0.039 4.121 4.170 -0.017 0.000 0.243 178 I C 2.601 178.830 176.117 0.187 0.000 1.094 178 I CA 0.551 62.047 61.300 0.328 0.000 1.393 178 I CB -0.177 37.897 38.000 0.123 0.000 1.078 178 I HN 0.109 nan 8.210 nan 0.000 0.417 179 I N 1.097 121.706 120.570 0.065 0.000 2.151 179 I HA -0.339 3.821 4.170 -0.017 0.000 0.243 179 I C 1.910 177.999 176.117 -0.047 0.000 1.080 179 I CA 1.496 62.800 61.300 0.008 0.000 1.339 179 I CB -0.536 37.456 38.000 -0.014 0.000 1.039 179 I HN 0.277 nan 8.210 nan 0.000 0.409 180 D N -0.394 119.929 120.400 -0.128 0.000 2.309 180 D HA -0.168 4.461 4.640 -0.017 0.000 0.212 180 D C 1.546 177.545 176.300 -0.501 0.000 0.968 180 D CA 1.278 55.081 54.000 -0.329 0.000 0.882 180 D CB -0.249 40.273 40.800 -0.462 0.000 0.918 180 D HN 0.495 nan 8.370 nan 0.000 0.503 181 H N -0.481 118.515 119.070 -0.122 0.000 2.592 181 H HA 0.239 4.785 4.556 -0.017 0.000 0.279 181 H C 1.966 177.356 175.328 0.103 0.000 1.089 181 H CA -0.141 55.826 56.048 -0.135 0.000 1.150 181 H CB 0.612 30.182 29.762 -0.320 0.000 1.575 181 H HN 0.115 nan 8.280 nan 0.000 0.547 182 L N 0.156 121.467 121.223 0.146 0.000 2.127 182 L HA -0.173 4.157 4.340 -0.017 0.000 0.211 182 L C 1.837 178.761 176.870 0.091 0.000 1.089 182 L CA 1.097 56.005 54.840 0.114 0.000 0.757 182 L CB -0.111 41.972 42.059 0.039 0.000 0.899 182 L HN 0.092 nan 8.230 nan 0.000 0.434 183 D N -0.719 119.724 120.400 0.071 0.000 2.178 183 D HA -0.235 4.395 4.640 -0.017 0.000 0.201 183 D C 1.891 178.258 176.300 0.112 0.000 0.980 183 D CA 1.212 55.246 54.000 0.057 0.000 0.842 183 D CB -0.115 40.701 40.800 0.026 0.000 0.948 183 D HN 0.390 nan 8.370 nan 0.000 0.472 184 Y N 1.394 121.745 120.300 0.086 0.000 2.242 184 Y HA -0.116 4.424 4.550 -0.017 0.000 0.291 184 Y C 2.089 178.068 175.900 0.131 0.000 1.137 184 Y CA 1.184 59.384 58.100 0.167 0.000 1.181 184 Y CB -0.288 38.352 38.460 0.301 0.000 0.989 184 Y HN -0.103 nan 8.280 nan 0.000 0.527 185 L N -1.316 119.924 121.223 0.029 0.000 2.072 185 L HA -0.155 4.175 4.340 -0.017 0.000 0.205 185 L C 2.368 179.142 176.870 -0.160 0.000 1.079 185 L CA 0.874 55.608 54.840 -0.175 0.000 0.752 185 L CB -0.773 41.208 42.059 -0.130 0.000 0.906 185 L HN 0.081 nan 8.230 nan 0.000 0.436 186 V N 0.432 120.300 119.914 -0.077 0.000 2.287 186 V HA -0.353 3.757 4.120 -0.017 0.000 0.248 186 V C 2.232 178.277 176.094 -0.081 0.000 1.053 186 V CA 2.329 64.588 62.300 -0.068 0.000 1.027 186 V CB -0.552 31.249 31.823 -0.037 0.000 0.646 186 V HN 0.519 nan 8.190 nan 0.000 0.447 187 D N -0.271 120.084 120.400 -0.075 0.000 2.123 187 D HA -0.209 4.421 4.640 -0.017 0.000 0.196 187 D C 1.923 178.162 176.300 -0.102 0.000 0.992 187 D CA 1.223 55.186 54.000 -0.061 0.000 0.833 187 D CB -0.170 40.618 40.800 -0.019 0.000 0.954 187 D HN 0.289 nan 8.370 nan 0.000 0.455 188 L N -0.640 120.453 121.223 -0.216 0.000 2.191 188 L HA 0.131 4.460 4.340 -0.017 0.000 0.212 188 L C 1.820 178.576 176.870 -0.190 0.000 1.103 188 L CA 2.061 56.727 54.840 -0.291 0.000 0.769 188 L CB -0.267 41.515 42.059 -0.462 0.000 0.908 188 L HN 0.382 nan 8.230 nan 0.000 0.438 189 G N -1.934 106.782 108.800 -0.141 0.000 2.192 189 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.193 189 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.193 189 G C 0.257 175.105 174.900 -0.087 0.000 0.999 189 G CA -0.038 45.002 45.100 -0.100 0.000 0.659 189 G HN 0.141 nan 8.290 nan 0.000 0.503 190 I N 2.629 123.143 120.570 -0.093 0.000 2.775 190 I HA 0.223 4.382 4.170 -0.017 0.000 0.290 190 I C 1.701 177.767 176.117 -0.085 0.000 1.203 190 I CA 1.808 63.071 61.300 -0.061 0.000 1.433 190 I CB 0.724 38.691 38.000 -0.055 0.000 1.354 190 I HN 0.385 nan 8.210 nan 0.000 0.579 191 T N 1.141 115.623 114.554 -0.119 0.000 3.170 191 T HA 0.444 4.783 4.350 -0.017 0.000 0.288 191 T C 0.382 174.917 174.700 -0.275 0.000 0.992 191 T CA -0.274 61.727 62.100 -0.165 0.000 0.909 191 T CB 0.234 69.007 68.868 -0.159 0.000 1.133 191 T HN 0.786 nan 8.240 nan 0.000 0.530 192 G N 0.843 109.482 108.800 -0.269 0.000 2.753 192 G HA2 0.643 4.593 3.960 -0.017 0.000 0.295 192 G HA3 0.643 4.593 3.960 -0.017 0.000 0.295 192 G C -1.528 173.513 174.900 0.234 0.000 1.437 192 G CA -0.737 44.117 45.100 -0.409 0.000 1.094 192 G HN 0.387 nan 8.290 nan 0.000 0.540 193 I N 2.227 123.047 120.570 0.417 0.000 2.389 193 I HA 0.280 4.440 4.170 -0.017 0.000 0.288 193 I C -1.230 175.252 176.117 0.609 0.000 0.999 193 I CA -1.036 60.543 61.300 0.466 0.000 1.129 193 I CB 2.116 40.230 38.000 0.191 0.000 1.288 193 I HN 0.539 nan 8.210 nan 0.000 0.444 194 Y N 8.192 128.733 120.300 0.401 0.000 2.334 194 Y HA 0.588 5.128 4.550 -0.017 0.000 0.336 194 Y C -1.387 174.553 175.900 0.066 0.000 0.960 194 Y CA -1.339 56.872 58.100 0.185 0.000 1.164 194 Y CB 0.760 39.305 38.460 0.142 0.000 1.155 194 Y HN 0.340 nan 8.280 nan 0.000 0.478 195 L N 6.450 127.642 121.223 -0.051 0.000 2.325 195 L HA 0.486 4.816 4.340 -0.017 0.000 0.279 195 L C 0.743 177.377 176.870 -0.392 0.000 1.054 195 L CA -0.946 53.708 54.840 -0.311 0.000 0.804 195 L CB 1.688 43.611 42.059 -0.227 0.000 1.200 195 L HN 0.714 nan 8.230 nan 0.000 0.436 196 T N 0.014 114.293 114.554 -0.458 0.000 2.754 196 T HA 0.291 4.630 4.350 -0.017 0.000 0.286 196 T C -2.483 172.005 174.700 -0.353 0.000 0.997 196 T CA -1.737 60.162 62.100 -0.336 0.000 0.982 196 T CB 0.238 68.967 68.868 -0.232 0.000 1.027 196 T HN 0.295 nan 8.240 nan 0.000 0.529 197 P HA 0.037 nan 4.420 nan 0.000 0.261 197 P C 0.351 177.443 177.300 -0.347 0.000 1.158 197 P CA 0.437 63.233 63.100 -0.507 0.000 0.758 197 P CB -0.055 31.269 31.700 -0.627 0.000 0.763 198 I N -1.782 118.485 120.570 -0.505 0.000 4.225 198 I HA 0.317 4.477 4.170 -0.017 0.000 0.327 198 I C -0.394 175.647 176.117 -0.126 0.000 1.422 198 I CA -0.334 60.873 61.300 -0.154 0.000 1.150 198 I CB 0.089 37.995 38.000 -0.156 0.000 1.192 198 I HN -0.083 nan 8.210 nan 0.000 0.440 199 F N 1.959 121.810 119.950 -0.165 0.000 2.370 199 F HA 0.492 5.009 4.527 -0.017 0.000 0.324 199 F C 1.216 176.919 175.800 -0.162 0.000 1.116 199 F CA -1.337 56.575 58.000 -0.148 0.000 1.123 199 F CB 0.311 39.216 39.000 -0.159 0.000 1.238 199 F HN -0.020 nan 8.300 nan 0.000 0.536 200 R N 1.207 121.772 120.500 0.109 0.000 2.494 200 R HA 0.261 4.591 4.340 -0.017 0.000 0.291 200 R C -0.420 175.843 176.300 -0.062 0.000 0.953 200 R CA 0.614 56.700 56.100 -0.023 0.000 1.098 200 R CB -0.023 30.289 30.300 0.020 0.000 0.911 200 R HN 0.749 nan 8.270 nan 0.000 0.407 201 S N 3.894 119.518 115.700 -0.128 0.000 2.565 201 S HA 0.349 4.809 4.470 -0.017 0.000 0.274 201 S C -2.403 172.132 174.600 -0.109 0.000 1.144 201 S CA -1.211 56.929 58.200 -0.100 0.000 0.849 201 S CB 2.001 65.125 63.200 -0.127 0.000 1.103 201 S HN 0.563 nan 8.310 nan 0.000 0.455 202 P HA 0.112 nan 4.420 nan 0.000 0.236 202 P C 0.560 177.917 177.300 0.096 0.000 1.177 202 P CA 0.237 63.347 63.100 0.017 0.000 0.773 202 P CB -0.090 31.637 31.700 0.046 0.000 0.878 203 S N 0.859 116.540 115.700 -0.031 0.000 2.707 203 S HA 0.176 4.636 4.470 -0.017 0.000 0.276 203 S C 1.129 175.663 174.600 -0.110 0.000 1.179 203 S CA -0.389 57.734 58.200 -0.127 0.000 0.992 203 S CB 0.245 63.098 63.200 -0.578 0.000 1.030 203 S HN -0.005 nan 8.310 nan 0.000 0.554 204 N N -0.127 118.434 118.700 -0.231 0.000 2.424 204 N HA -0.035 4.695 4.740 -0.017 0.000 0.178 204 N C 0.990 176.513 175.510 0.022 0.000 1.060 204 N CA 1.176 54.128 53.050 -0.163 0.000 0.901 204 N CB -0.804 37.447 38.487 -0.393 0.000 0.979 204 N HN 0.935 nan 8.380 nan 0.000 0.451 205 H N -1.202 117.983 119.070 0.192 0.000 2.604 205 H HA 0.414 4.960 4.556 -0.017 0.000 0.273 205 H C 0.022 175.370 175.328 0.033 0.000 0.971 205 H CA -0.105 56.137 56.048 0.323 0.000 1.249 205 H CB 0.180 30.305 29.762 0.604 0.000 1.449 205 H HN -0.051 nan 8.280 nan 0.000 0.512 206 K N -0.392 119.817 120.400 -0.319 0.000 3.129 206 K HA -0.257 4.052 4.320 -0.017 0.000 0.273 206 K C -0.583 175.957 176.600 -0.101 0.000 1.123 206 K CA 0.826 56.978 56.287 -0.225 0.000 0.800 206 K CB -2.227 30.125 32.500 -0.245 0.000 1.238 206 K HN 0.417 nan 8.250 nan 0.000 0.492 207 Y N 1.280 121.808 120.300 0.380 0.000 2.546 207 Y HA -0.033 4.506 4.550 -0.017 0.000 0.287 207 Y C 1.018 177.014 175.900 0.159 0.000 1.158 207 Y CA 0.656 58.908 58.100 0.253 0.000 1.307 207 Y CB 0.328 38.940 38.460 0.252 0.000 1.036 207 Y HN 0.199 nan 8.280 nan 0.000 0.532 208 D N -0.432 120.135 120.400 0.278 0.000 2.485 208 D HA 0.096 4.726 4.640 -0.017 0.000 0.256 208 D C -0.310 176.026 176.300 0.060 0.000 1.141 208 D CA -0.334 53.789 54.000 0.206 0.000 0.942 208 D CB -0.025 40.931 40.800 0.260 0.000 1.003 208 D HN -0.119 nan 8.370 nan 0.000 0.507 209 T N 0.605 115.127 114.554 -0.053 0.000 2.940 209 T HA 0.361 4.701 4.350 -0.017 0.000 0.309 209 T C 1.278 175.941 174.700 -0.062 0.000 1.056 209 T CA 0.002 61.975 62.100 -0.212 0.000 1.137 209 T CB 1.618 70.036 68.868 -0.750 0.000 0.976 209 T HN 0.504 nan 8.240 nan 0.000 0.547 210 A N 1.908 124.729 122.820 0.002 0.000 2.055 210 A HA 0.306 4.616 4.320 -0.017 0.000 0.205 210 A C 0.711 178.479 177.584 0.307 0.000 1.235 210 A CA 0.114 52.256 52.037 0.176 0.000 0.822 210 A CB 0.411 19.473 19.000 0.103 0.000 0.903 210 A HN 0.719 nan 8.150 nan 0.000 0.473 211 D N -1.922 118.587 120.400 0.181 0.000 2.452 211 D HA 0.306 4.936 4.640 -0.017 0.000 0.226 211 D C -0.663 175.758 176.300 0.203 0.000 1.366 211 D CA -0.497 53.701 54.000 0.329 0.000 0.986 211 D CB 0.336 41.298 40.800 0.269 0.000 1.420 211 D HN 0.101 nan 8.370 nan 0.000 0.583 212 Y N 1.812 122.280 120.300 0.280 0.000 2.574 212 Y HA 0.090 4.630 4.550 -0.017 0.000 0.294 212 Y C 1.578 177.298 175.900 -0.301 0.000 1.142 212 Y CA 0.636 58.705 58.100 -0.052 0.000 1.314 212 Y CB -0.079 38.343 38.460 -0.063 0.000 0.991 212 Y HN 0.385 nan 8.280 nan 0.000 0.555 213 F N -0.440 119.625 119.950 0.190 0.000 2.693 213 F HA 0.171 4.687 4.527 -0.017 0.000 0.303 213 F C 0.417 176.329 175.800 0.187 0.000 1.097 213 F CA 0.019 58.049 58.000 0.050 0.000 1.330 213 F CB 0.485 39.369 39.000 -0.193 0.000 1.067 213 F HN -0.182 nan 8.300 nan 0.000 0.565 214 E N 0.654 121.082 120.200 0.380 0.000 2.234 214 E HA 0.311 4.651 4.350 -0.017 0.000 0.266 214 E C -0.629 176.194 176.600 0.372 0.000 0.877 214 E CA -0.539 56.075 56.400 0.357 0.000 0.758 214 E CB 2.855 32.694 29.700 0.232 0.000 1.170 214 E HN -0.256 nan 8.360 nan 0.000 0.415 215 V N 2.721 122.882 119.914 0.412 0.000 2.637 215 V HA -0.028 4.082 4.120 -0.017 0.000 0.296 215 V C 0.830 177.031 176.094 0.178 0.000 1.046 215 V CA -0.177 62.323 62.300 0.333 0.000 1.066 215 V CB 0.878 32.886 31.823 0.309 0.000 0.968 215 V HN 0.600 nan 8.190 nan 0.000 0.483 216 D N 6.153 126.594 120.400 0.068 0.000 2.487 216 D HA 0.026 4.655 4.640 -0.017 0.000 0.243 216 D C -1.655 174.602 176.300 -0.071 0.000 1.154 216 D CA -1.086 52.839 54.000 -0.125 0.000 0.876 216 D CB 1.814 42.356 40.800 -0.429 0.000 1.161 216 D HN 0.275 nan 8.370 nan 0.000 0.478 217 P HA -0.115 nan 4.420 nan 0.000 0.221 217 P C 0.527 177.894 177.300 0.112 0.000 1.145 217 P CA 1.225 64.328 63.100 0.005 0.000 0.795 217 P CB 0.080 31.760 31.700 -0.033 0.000 0.775 218 H N -3.277 115.758 119.070 -0.058 0.000 2.502 218 H HA 0.026 4.572 4.556 -0.017 0.000 0.283 218 H C 1.130 176.570 175.328 0.186 0.000 1.015 218 H CA 0.206 56.245 56.048 -0.015 0.000 1.298 218 H CB -0.074 29.611 29.762 -0.129 0.000 1.411 218 H HN 0.118 nan 8.280 nan 0.000 0.556 219 F N -0.099 119.938 119.950 0.145 0.000 2.530 219 F HA 0.295 4.812 4.527 -0.017 0.000 0.292 219 F C 1.546 177.394 175.800 0.081 0.000 1.109 219 F CA 0.901 58.954 58.000 0.088 0.000 1.450 219 F CB 0.458 39.473 39.000 0.026 0.000 1.114 219 F HN 0.215 nan 8.300 nan 0.000 0.560 220 G N -0.234 108.732 108.800 0.276 0.000 2.332 220 G HA2 0.249 4.199 3.960 -0.017 0.000 0.265 220 G HA3 0.249 4.199 3.960 -0.017 0.000 0.265 220 G C -1.980 173.029 174.900 0.183 0.000 1.329 220 G CA -0.353 44.864 45.100 0.196 0.000 0.949 220 G HN 0.196 nan 8.290 nan 0.000 0.476 221 D N -1.070 119.437 120.400 0.179 0.000 2.553 221 D HA 0.601 5.231 4.640 -0.017 0.000 0.249 221 D C 1.051 177.504 176.300 0.256 0.000 1.062 221 D CA -0.713 53.406 54.000 0.199 0.000 1.085 221 D CB 1.367 42.266 40.800 0.165 0.000 1.350 221 D HN 0.448 nan 8.370 nan 0.000 0.575 222 K N -0.613 119.978 120.400 0.319 0.000 2.097 222 K HA -0.142 4.168 4.320 -0.017 0.000 0.206 222 K C 1.421 178.294 176.600 0.456 0.000 1.049 222 K CA 1.380 57.956 56.287 0.482 0.000 0.933 222 K CB -0.134 32.718 32.500 0.587 0.000 0.717 222 K HN 0.386 nan 8.250 nan 0.000 0.442 223 E N 0.172 120.539 120.200 0.279 0.000 2.110 223 E HA -0.118 4.221 4.350 -0.017 0.000 0.193 223 E C 1.939 178.644 176.600 0.175 0.000 0.988 223 E CA 1.491 58.005 56.400 0.190 0.000 0.804 223 E CB -0.462 29.312 29.700 0.123 0.000 0.745 223 E HN 0.244 nan 8.360 nan 0.000 0.458 224 T N 0.954 115.612 114.554 0.174 0.000 2.777 224 T HA -0.095 4.245 4.350 -0.017 0.000 0.266 224 T C 1.760 176.547 174.700 0.145 0.000 1.040 224 T CA 0.908 63.089 62.100 0.135 0.000 1.141 224 T CB -0.244 68.699 68.868 0.126 0.000 0.868 224 T HN 0.059 nan 8.240 nan 0.000 0.444 225 L N 1.419 122.766 121.223 0.206 0.000 2.056 225 L HA 0.105 4.435 4.340 -0.017 0.000 0.207 225 L C 2.279 179.299 176.870 0.251 0.000 1.078 225 L CA 1.828 56.784 54.840 0.193 0.000 0.749 225 L CB -0.580 41.591 42.059 0.187 0.000 0.901 225 L HN -0.008 nan 8.230 nan 0.000 0.433 226 K N -0.933 119.694 120.400 0.377 0.000 2.103 226 K HA -0.141 4.168 4.320 -0.017 0.000 0.207 226 K C 1.875 178.553 176.600 0.128 0.000 1.048 226 K CA 2.177 58.641 56.287 0.294 0.000 0.930 226 K CB -0.566 32.038 32.500 0.174 0.000 0.716 226 K HN 0.423 nan 8.250 nan 0.000 0.444 227 T N 1.166 115.781 114.554 0.102 0.000 2.737 227 T HA -0.105 4.235 4.350 -0.017 0.000 0.265 227 T C 1.545 176.256 174.700 0.019 0.000 1.038 227 T CA 1.209 63.338 62.100 0.048 0.000 1.144 227 T CB -0.319 68.576 68.868 0.044 0.000 0.866 227 T HN 0.216 nan 8.240 nan 0.000 0.434 228 L N 1.364 122.604 121.223 0.027 0.000 2.013 228 L HA -0.043 4.287 4.340 -0.017 0.000 0.212 228 L C 2.102 178.933 176.870 -0.064 0.000 1.073 228 L CA 1.668 56.503 54.840 -0.008 0.000 0.753 228 L CB -0.775 41.285 42.059 0.002 0.000 0.890 228 L HN 0.289 nan 8.230 nan 0.000 0.432 229 I N -0.402 120.127 120.570 -0.067 0.000 2.202 229 I HA -0.255 3.904 4.170 -0.017 0.000 0.242 229 I C 2.089 177.980 176.117 -0.378 0.000 1.091 229 I CA 1.446 62.609 61.300 -0.228 0.000 1.368 229 I CB -0.617 37.326 38.000 -0.096 0.000 1.058 229 I HN 0.306 nan 8.210 nan 0.000 0.410 230 D N 0.499 120.823 120.400 -0.127 0.000 2.144 230 D HA -0.180 4.450 4.640 -0.017 0.000 0.200 230 D C 2.215 178.490 176.300 -0.041 0.000 0.978 230 D CA 1.005 54.985 54.000 -0.034 0.000 0.833 230 D CB -0.186 40.629 40.800 0.025 0.000 0.961 230 D HN 0.110 nan 8.370 nan 0.000 0.470 231 R N 0.591 121.058 120.500 -0.054 0.000 2.115 231 R HA -0.044 4.286 4.340 -0.017 0.000 0.230 231 R C 2.180 178.447 176.300 -0.055 0.000 1.111 231 R CA 0.968 57.044 56.100 -0.039 0.000 0.976 231 R CB -0.814 29.467 30.300 -0.031 0.000 0.870 231 R HN 0.137 nan 8.270 nan 0.000 0.445 232 C N -0.527 118.704 119.300 -0.115 0.000 2.476 232 C HA -0.009 4.441 4.460 -0.017 0.000 0.278 232 C C 2.359 177.309 174.990 -0.067 0.000 1.274 232 C CA 0.578 59.525 59.018 -0.120 0.000 1.713 232 C CB -0.999 26.628 27.740 -0.189 0.000 2.039 232 C HN 0.562 nan 8.230 nan 0.000 0.484 233 H N 0.588 119.627 119.070 -0.053 0.000 2.422 233 H HA -0.130 4.416 4.556 -0.017 0.000 0.298 233 H C 2.151 177.437 175.328 -0.070 0.000 1.098 233 H CA 1.625 57.626 56.048 -0.078 0.000 1.315 233 H CB -0.699 29.019 29.762 -0.072 0.000 1.382 233 H HN 0.640 nan 8.280 nan 0.000 0.523 234 E N 1.302 121.541 120.200 0.066 0.000 2.118 234 E HA -0.164 4.176 4.350 -0.017 0.000 0.195 234 E C 0.861 177.459 176.600 -0.004 0.000 0.992 234 E CA 1.093 57.505 56.400 0.019 0.000 0.804 234 E CB 0.123 29.826 29.700 0.004 0.000 0.741 234 E HN 0.409 nan 8.360 nan 0.000 0.458 235 K N -0.818 119.575 120.400 -0.011 0.000 2.446 235 K HA 0.164 4.474 4.320 -0.017 0.000 0.203 235 K C 0.528 177.105 176.600 -0.037 0.000 1.027 235 K CA 0.398 56.669 56.287 -0.025 0.000 1.166 235 K CB 0.831 33.314 32.500 -0.028 0.000 0.869 235 K HN 0.239 nan 8.250 nan 0.000 0.504 236 G N 2.056 110.836 108.800 -0.034 0.000 2.246 236 G HA2 -0.260 3.690 3.960 -0.017 0.000 0.273 236 G HA3 -0.260 3.690 3.960 -0.017 0.000 0.273 236 G C -0.103 174.747 174.900 -0.083 0.000 1.055 236 G CA -0.089 44.973 45.100 -0.063 0.000 0.851 236 G HN 0.318 nan 8.290 nan 0.000 0.500 237 I N 0.385 120.920 120.570 -0.058 0.000 2.406 237 I HA 0.441 4.600 4.170 -0.017 0.000 0.290 237 I C 0.648 176.730 176.117 -0.059 0.000 0.999 237 I CA -1.029 60.221 61.300 -0.083 0.000 1.124 237 I CB 1.341 39.303 38.000 -0.064 0.000 1.289 237 I HN -0.021 nan 8.210 nan 0.000 0.441 238 R N 4.673 125.088 120.500 -0.141 0.000 2.500 238 R HA 0.659 4.989 4.340 -0.017 0.000 0.277 238 R C -0.937 175.417 176.300 0.089 0.000 1.026 238 R CA -0.756 55.288 56.100 -0.094 0.000 1.058 238 R CB 2.061 32.132 30.300 -0.382 0.000 1.078 238 R HN 0.311 nan 8.270 nan 0.000 0.509 239 V N 3.205 123.222 119.914 0.171 0.000 2.540 239 V HA 0.420 4.530 4.120 -0.017 0.000 0.302 239 V C -0.163 176.086 176.094 0.258 0.000 1.035 239 V CA -0.757 61.666 62.300 0.205 0.000 0.873 239 V CB 1.708 33.549 31.823 0.030 0.000 0.992 239 V HN 0.701 nan 8.190 nan 0.000 0.428 240 M N 5.873 125.664 119.600 0.317 0.000 2.243 240 M HA 0.642 5.112 4.480 -0.017 0.000 0.324 240 M C -1.690 174.630 176.300 0.034 0.000 1.031 240 M CA -0.347 55.042 55.300 0.148 0.000 0.949 240 M CB 1.391 34.045 32.600 0.091 0.000 1.615 240 M HN 0.539 nan 8.290 nan 0.000 0.430 241 L N 2.384 123.494 121.223 -0.188 0.000 2.352 241 L HA 0.514 4.844 4.340 -0.017 0.000 0.269 241 L C -0.327 176.569 176.870 0.043 0.000 1.034 241 L CA -0.957 53.757 54.840 -0.210 0.000 0.806 241 L CB 1.399 43.132 42.059 -0.544 0.000 1.244 241 L HN 0.638 nan 8.230 nan 0.000 0.447 242 D N 1.273 121.707 120.400 0.056 0.000 2.249 242 D HA 0.417 5.046 4.640 -0.017 0.000 0.246 242 D C -0.657 175.747 176.300 0.175 0.000 1.114 242 D CA -0.110 53.975 54.000 0.143 0.000 0.854 242 D CB 1.824 42.677 40.800 0.088 0.000 1.132 242 D HN 0.548 nan 8.370 nan 0.000 0.461 243 A N 3.887 126.763 122.820 0.094 0.000 2.273 243 A HA 0.401 4.711 4.320 -0.017 0.000 0.320 243 A C -0.212 177.280 177.584 -0.154 0.000 1.358 243 A CA -0.679 51.196 52.037 -0.271 0.000 0.910 243 A CB 0.579 18.890 19.000 -1.148 0.000 1.159 243 A HN 0.371 nan 8.150 nan 0.000 0.526 244 V N 4.404 124.429 119.914 0.186 0.000 2.096 244 V HA 0.111 4.220 4.120 -0.017 0.000 0.259 244 V C 0.255 176.606 176.094 0.428 0.000 1.420 244 V CA 0.067 62.504 62.300 0.227 0.000 1.336 244 V CB -1.218 30.700 31.823 0.158 0.000 1.394 244 V HN 0.833 nan 8.190 nan 0.000 0.494 245 F N 1.446 121.403 119.950 0.010 0.000 2.664 245 F HA 0.087 4.604 4.527 -0.017 0.000 0.296 245 F C 2.082 177.794 175.800 -0.147 0.000 1.125 245 F CA 0.274 58.198 58.000 -0.126 0.000 1.444 245 F CB -0.813 38.087 39.000 -0.167 0.000 1.114 245 F HN 0.452 nan 8.300 nan 0.000 0.576 246 N N -0.263 118.539 118.700 0.171 0.000 2.166 246 N HA -0.148 4.582 4.740 -0.017 0.000 0.186 246 N C 0.262 175.959 175.510 0.311 0.000 1.019 246 N CA 1.191 54.376 53.050 0.226 0.000 0.856 246 N CB 0.017 38.743 38.487 0.399 0.000 0.993 246 N HN 0.302 nan 8.380 nan 0.000 0.426 247 H N -2.651 116.513 119.070 0.157 0.000 3.008 247 H HA 0.458 5.003 4.556 -0.017 0.000 0.354 247 H C -0.456 174.986 175.328 0.190 0.000 1.252 247 H CA -0.981 55.170 56.048 0.171 0.000 1.117 247 H CB 0.331 30.206 29.762 0.188 0.000 1.857 247 H HN 0.181 nan 8.280 nan 0.000 0.547 248 C N -0.060 119.354 119.300 0.190 0.000 2.656 248 C HA 0.982 5.431 4.460 -0.017 0.000 0.404 248 C C 0.977 176.041 174.990 0.123 0.000 1.423 248 C CA -0.125 58.948 59.018 0.092 0.000 1.784 248 C CB 1.025 28.733 27.740 -0.053 0.000 2.093 248 C HN 1.056 nan 8.230 nan 0.000 0.492 249 G N -1.572 107.300 108.800 0.121 0.000 2.488 249 G HA2 0.416 4.365 3.960 -0.017 0.000 0.318 249 G HA3 0.416 4.365 3.960 -0.017 0.000 0.318 249 G C -0.265 174.746 174.900 0.184 0.000 1.188 249 G CA -0.350 44.850 45.100 0.166 0.000 0.944 249 G HN 0.982 nan 8.290 nan 0.000 0.495 250 Y N -0.533 119.814 120.300 0.078 0.000 2.333 250 Y HA -0.065 4.474 4.550 -0.017 0.000 0.290 250 Y C 2.303 178.318 175.900 0.191 0.000 1.144 250 Y CA 2.002 60.171 58.100 0.116 0.000 1.228 250 Y CB 0.358 38.843 38.460 0.042 0.000 0.985 250 Y HN 0.586 nan 8.280 nan 0.000 0.542 251 E N -0.327 120.018 120.200 0.241 0.000 2.437 251 E HA -0.019 4.321 4.350 -0.017 0.000 0.189 251 E C -0.453 176.253 176.600 0.176 0.000 1.054 251 E CA -0.413 56.077 56.400 0.150 0.000 0.874 251 E CB -0.193 29.601 29.700 0.157 0.000 1.011 251 E HN 0.218 nan 8.360 nan 0.000 0.474 252 F N 1.675 121.671 119.950 0.077 0.000 2.543 252 F HA 0.156 4.672 4.527 -0.017 0.000 0.375 252 F C 1.359 177.177 175.800 0.029 0.000 1.075 252 F CA -0.539 57.523 58.000 0.104 0.000 1.225 252 F CB 0.665 39.793 39.000 0.214 0.000 1.099 252 F HN -0.049 nan 8.300 nan 0.000 0.561 253 A N 7.462 130.005 122.820 -0.462 0.000 1.896 253 A HA -0.185 4.125 4.320 -0.017 0.000 0.220 253 A C -0.519 176.654 177.584 -0.685 0.000 1.206 253 A CA 2.152 53.875 52.037 -0.523 0.000 0.647 253 A CB -2.120 16.572 19.000 -0.514 0.000 0.828 253 A HN 0.710 nan 8.150 nan 0.000 0.455 254 P HA -0.152 nan 4.420 nan 0.000 0.216 254 P C 1.408 178.601 177.300 -0.177 0.000 1.150 254 P CA 1.185 63.630 63.100 -1.092 0.000 0.837 254 P CB -0.129 30.698 31.700 -1.454 0.000 0.786 255 F N 0.398 120.325 119.950 -0.039 0.000 2.206 255 F HA -0.120 4.396 4.527 -0.017 0.000 0.298 255 F C 2.110 177.780 175.800 -0.217 0.000 1.090 255 F CA 1.465 59.355 58.000 -0.184 0.000 1.323 255 F CB -0.742 38.059 39.000 -0.332 0.000 1.028 255 F HN -0.112 nan 8.300 nan 0.000 0.492 256 Q N -0.512 119.129 119.800 -0.265 0.000 2.226 256 Q HA -0.232 4.098 4.340 -0.017 0.000 0.204 256 Q C 1.686 177.565 176.000 -0.201 0.000 0.975 256 Q CA 1.682 57.302 55.803 -0.305 0.000 0.866 256 Q CB -0.315 28.294 28.738 -0.216 0.000 0.915 256 Q HN 0.451 nan 8.270 nan 0.000 0.440 257 D N -0.251 120.037 120.400 -0.187 0.000 2.123 257 D HA -0.109 4.520 4.640 -0.017 0.000 0.200 257 D C 1.714 177.963 176.300 -0.084 0.000 0.976 257 D CA 0.697 54.640 54.000 -0.095 0.000 0.831 257 D CB 0.170 40.959 40.800 -0.019 0.000 0.974 257 D HN -0.019 nan 8.370 nan 0.000 0.469 258 V N 0.468 120.318 119.914 -0.107 0.000 2.515 258 V HA -0.143 3.967 4.120 -0.017 0.000 0.250 258 V C 2.054 178.016 176.094 -0.220 0.000 1.058 258 V CA 1.237 63.479 62.300 -0.096 0.000 1.064 258 V CB -0.634 31.183 31.823 -0.009 0.000 0.675 258 V HN 0.480 nan 8.190 nan 0.000 0.461 259 W N 1.194 122.164 121.300 -0.549 0.000 2.402 259 W HA -0.151 4.498 4.660 -0.017 0.000 0.286 259 W C 2.310 178.686 176.519 -0.239 0.000 1.221 259 W CA 2.027 59.073 57.345 -0.499 0.000 1.257 259 W CB 0.100 29.154 29.460 -0.677 0.000 1.120 259 W HN 0.260 nan 8.180 nan 0.000 0.551 260 K N -0.146 120.191 120.400 -0.104 0.000 2.168 260 K HA -0.043 4.266 4.320 -0.017 0.000 0.201 260 K C 1.172 177.695 176.600 -0.127 0.000 1.049 260 K CA 0.965 57.197 56.287 -0.090 0.000 0.974 260 K CB -0.189 32.306 32.500 -0.007 0.000 0.792 260 K HN -0.099 nan 8.250 nan 0.000 0.463 261 N N 0.570 119.198 118.700 -0.119 0.000 2.230 261 N HA 0.079 4.808 4.740 -0.017 0.000 0.202 261 N C 0.676 176.092 175.510 -0.156 0.000 1.119 261 N CA 0.705 53.682 53.050 -0.121 0.000 0.851 261 N CB 1.019 39.446 38.487 -0.100 0.000 0.990 261 N HN 0.375 nan 8.380 nan 0.000 0.497 262 G N 2.480 111.189 108.800 -0.153 0.000 2.652 262 G HA2 -0.418 3.532 3.960 -0.017 0.000 0.318 262 G HA3 -0.418 3.532 3.960 -0.017 0.000 0.318 262 G C 0.745 175.396 174.900 -0.414 0.000 1.295 262 G CA 0.752 45.774 45.100 -0.129 0.000 0.999 262 G HN 0.394 nan 8.290 nan 0.000 0.548 263 E N 0.647 120.248 120.200 -0.998 0.000 2.338 263 E HA -0.040 4.300 4.350 -0.017 0.000 0.197 263 E C 2.630 178.903 176.600 -0.546 0.000 1.007 263 E CA 1.602 57.205 56.400 -1.328 0.000 0.849 263 E CB -0.213 28.639 29.700 -1.414 0.000 0.774 263 E HN 0.602 nan 8.360 nan 0.000 0.506 264 S N -0.459 115.030 115.700 -0.351 0.000 2.496 264 S HA -0.002 4.458 4.470 -0.017 0.000 0.224 264 S C 1.097 175.589 174.600 -0.180 0.000 0.996 264 S CA 0.086 58.154 58.200 -0.220 0.000 0.927 264 S CB 0.160 63.260 63.200 -0.167 0.000 0.774 264 S HN 0.115 nan 8.310 nan 0.000 0.524 265 S N 2.414 118.011 115.700 -0.171 0.000 2.558 265 S HA 0.058 4.518 4.470 -0.017 0.000 0.288 265 S C 1.179 175.680 174.600 -0.165 0.000 1.318 265 S CA -0.321 57.805 58.200 -0.124 0.000 1.056 265 S CB 0.504 63.676 63.200 -0.047 0.000 0.853 265 S HN 0.644 nan 8.310 nan 0.000 0.505 266 K N 3.095 123.321 120.400 -0.289 0.000 2.504 266 K HA -0.044 4.266 4.320 -0.017 0.000 0.195 266 K C 0.251 176.489 176.600 -0.603 0.000 1.036 266 K CA 1.250 57.265 56.287 -0.452 0.000 0.984 266 K CB -0.216 31.918 32.500 -0.610 0.000 0.788 266 K HN 0.708 nan 8.250 nan 0.000 0.488 267 Y N 1.615 121.799 120.300 -0.193 0.000 2.507 267 Y HA 0.149 4.689 4.550 -0.017 0.000 0.254 267 Y C 1.490 177.412 175.900 0.036 0.000 1.171 267 Y CA -0.485 57.418 58.100 -0.329 0.000 1.238 267 Y CB 0.528 38.660 38.460 -0.546 0.000 1.148 267 Y HN 0.100 nan 8.280 nan 0.000 0.525 268 K N -0.142 120.378 120.400 0.201 0.000 2.152 268 K HA -0.212 4.098 4.320 -0.017 0.000 0.206 268 K C 1.122 177.939 176.600 0.363 0.000 1.048 268 K CA 2.271 58.765 56.287 0.345 0.000 0.933 268 K CB -0.309 32.327 32.500 0.227 0.000 0.721 268 K HN 0.060 nan 8.250 nan 0.000 0.447 269 D N -0.992 119.564 120.400 0.261 0.000 2.349 269 D HA -0.020 4.610 4.640 -0.017 0.000 0.224 269 D C 0.155 176.531 176.300 0.127 0.000 1.029 269 D CA 0.154 54.264 54.000 0.184 0.000 0.879 269 D CB -0.051 40.827 40.800 0.130 0.000 0.906 269 D HN 0.338 nan 8.370 nan 0.000 0.528 270 W N -0.302 120.854 121.300 -0.241 0.000 3.047 270 W HA 0.225 4.875 4.660 -0.017 0.000 0.250 270 W C -0.071 175.882 176.519 -0.943 0.000 1.314 270 W CA -0.086 56.904 57.345 -0.593 0.000 1.540 270 W CB -0.164 28.850 29.460 -0.742 0.000 1.127 270 W HN -0.138 nan 8.180 nan 0.000 0.679 271 F N -2.068 118.004 119.950 0.204 0.000 2.782 271 F HA 0.386 4.903 4.527 -0.017 0.000 0.366 271 F C 0.303 176.016 175.800 -0.145 0.000 1.171 271 F CA -1.470 56.587 58.000 0.094 0.000 1.064 271 F CB 0.419 39.571 39.000 0.254 0.000 1.449 271 F HN -0.375 nan 8.300 nan 0.000 0.520 272 H N 1.846 121.119 119.070 0.338 0.000 2.645 272 H HA 0.465 5.010 4.556 -0.017 0.000 0.257 272 H C -0.905 174.403 175.328 -0.034 0.000 1.269 272 H CA -0.085 56.043 56.048 0.134 0.000 1.409 272 H CB 0.540 30.368 29.762 0.111 0.000 1.434 272 H HN 0.235 nan 8.280 nan 0.000 0.505 273 I N 2.817 123.388 120.570 0.003 0.000 2.359 273 I HA 0.093 4.253 4.170 -0.017 0.000 0.294 273 I C 0.978 176.926 176.117 -0.281 0.000 0.987 273 I CA -0.622 60.551 61.300 -0.211 0.000 1.225 273 I CB 1.540 39.339 38.000 -0.336 0.000 1.366 273 I HN 0.527 nan 8.210 nan 0.000 0.466 274 H N 4.261 123.313 119.070 -0.030 0.000 2.520 274 H HA 0.155 4.701 4.556 -0.017 0.000 0.279 274 H C -0.038 175.230 175.328 -0.100 0.000 0.990 274 H CA 0.346 56.377 56.048 -0.028 0.000 1.288 274 H CB 0.443 30.218 29.762 0.022 0.000 1.446 274 H HN 0.673 nan 8.280 nan 0.000 0.538 275 E N -0.398 119.721 120.200 -0.134 0.000 2.390 275 E HA 0.426 4.766 4.350 -0.017 0.000 0.280 275 E C -1.756 174.645 176.600 -0.332 0.000 0.992 275 E CA -0.771 55.542 56.400 -0.145 0.000 0.790 275 E CB 1.531 31.241 29.700 0.017 0.000 1.248 275 E HN -0.173 nan 8.360 nan 0.000 0.447 276 F N 1.492 121.465 119.950 0.037 0.000 2.508 276 F HA 0.513 5.030 4.527 -0.017 0.000 0.325 276 F C -1.735 174.045 175.800 -0.034 0.000 1.090 276 F CA -1.729 56.260 58.000 -0.018 0.000 0.945 276 F CB 1.244 40.228 39.000 -0.026 0.000 1.156 276 F HN 0.398 nan 8.300 nan 0.000 0.463 277 P HA 0.296 nan 4.420 nan 0.000 0.274 277 P C -1.053 176.200 177.300 -0.078 0.000 1.256 277 P CA -0.479 62.636 63.100 0.024 0.000 0.795 277 P CB 0.946 32.580 31.700 -0.109 0.000 1.038 278 L N 0.937 122.022 121.223 -0.231 0.000 2.397 278 L HA 0.262 4.591 4.340 -0.017 0.000 0.271 278 L C 0.946 177.663 176.870 -0.254 0.000 1.148 278 L CA 0.697 55.415 54.840 -0.204 0.000 0.825 278 L CB 0.058 41.931 42.059 -0.310 0.000 1.117 278 L HN 0.507 nan 8.230 nan 0.000 0.456 279 Q N -0.186 119.727 119.800 0.188 0.000 2.435 279 Q HA 0.468 4.798 4.340 -0.017 0.000 0.282 279 Q C -0.285 175.996 176.000 0.467 0.000 1.020 279 Q CA -0.442 55.540 55.803 0.299 0.000 0.820 279 Q CB 1.372 30.196 28.738 0.144 0.000 1.436 279 Q HN 0.578 nan 8.270 nan 0.000 0.395 280 T N -2.822 112.016 114.554 0.473 0.000 3.022 280 T HA 0.186 4.525 4.350 -0.017 0.000 0.250 280 T C 0.023 174.831 174.700 0.179 0.000 1.060 280 T CA 0.137 62.434 62.100 0.328 0.000 1.013 280 T CB 0.260 69.324 68.868 0.327 0.000 0.982 280 T HN 0.457 nan 8.240 nan 0.000 0.508 281 E N 2.236 122.535 120.200 0.165 0.000 2.199 281 E HA 0.328 4.668 4.350 -0.017 0.000 0.269 281 E C -1.894 174.753 176.600 0.079 0.000 0.899 281 E CA -2.423 54.038 56.400 0.101 0.000 0.772 281 E CB 2.156 31.912 29.700 0.094 0.000 1.155 281 E HN 0.093 nan 8.360 nan 0.000 0.408 282 P HA -0.017 nan 4.420 nan 0.000 0.236 282 P C -0.254 177.059 177.300 0.022 0.000 1.177 282 P CA 0.576 63.694 63.100 0.029 0.000 0.773 282 P CB 0.717 32.422 31.700 0.009 0.000 0.878 283 R N -1.526 118.996 120.500 0.038 0.000 2.629 283 R HA 0.540 4.870 4.340 -0.017 0.000 0.266 283 R C -3.428 172.894 176.300 0.037 0.000 1.051 283 R CA -2.263 53.855 56.100 0.031 0.000 0.895 283 R CB -0.215 30.091 30.300 0.010 0.000 1.246 283 R HN -0.312 nan 8.270 nan 0.000 0.459 284 P HA -0.010 nan 4.420 nan 0.000 0.262 284 P C -0.543 176.670 177.300 -0.145 0.000 1.182 284 P CA -0.024 62.935 63.100 -0.236 0.000 0.761 284 P CB 0.401 31.733 31.700 -0.613 0.000 0.795 285 N N 1.895 120.603 118.700 0.013 0.000 2.322 285 N HA 0.049 4.779 4.740 -0.017 0.000 0.216 285 N C -0.643 174.960 175.510 0.155 0.000 1.144 285 N CA -0.373 52.776 53.050 0.165 0.000 0.830 285 N CB -0.679 37.906 38.487 0.163 0.000 1.034 285 N HN 0.385 nan 8.380 nan 0.000 0.484 286 Y N -3.130 117.183 120.300 0.023 0.000 2.562 286 Y HA 0.557 5.096 4.550 -0.017 0.000 0.345 286 Y C -0.662 175.227 175.900 -0.018 0.000 1.045 286 Y CA -1.822 56.167 58.100 -0.185 0.000 1.028 286 Y CB 0.731 39.195 38.460 0.007 0.000 1.297 286 Y HN -0.241 nan 8.280 nan 0.000 0.463 287 D N 1.998 122.435 120.400 0.062 0.000 2.399 287 D HA 0.338 4.967 4.640 -0.017 0.000 0.241 287 D C 0.092 176.447 176.300 0.092 0.000 1.133 287 D CA 0.877 54.925 54.000 0.080 0.000 0.890 287 D CB 1.492 42.334 40.800 0.070 0.000 1.201 287 D HN 0.833 nan 8.370 nan 0.000 0.432 288 T N -1.782 112.742 114.554 -0.050 0.000 2.787 288 T HA 0.394 4.733 4.350 -0.017 0.000 0.297 288 T C -0.405 174.207 174.700 -0.145 0.000 1.221 288 T CA -1.017 61.066 62.100 -0.028 0.000 1.006 288 T CB 0.853 69.678 68.868 -0.070 0.000 1.328 288 T HN 0.161 nan 8.240 nan 0.000 0.509 289 F N 2.695 122.479 119.950 -0.276 0.000 2.538 289 F HA 0.489 5.006 4.527 -0.017 0.000 0.371 289 F C 1.161 176.763 175.800 -0.329 0.000 1.087 289 F CA 0.604 58.341 58.000 -0.438 0.000 1.250 289 F CB -0.528 37.967 39.000 -0.843 0.000 1.110 289 F HN 1.351 nan 8.300 nan 0.000 0.570 290 A N 4.921 126.964 122.820 -1.295 0.000 5.395 290 A HA -0.352 3.958 4.320 -0.017 0.000 0.324 290 A C 0.519 177.592 177.584 -0.852 0.000 1.813 290 A CA 1.960 53.346 52.037 -1.085 0.000 0.714 290 A CB -1.726 16.582 19.000 -1.153 0.000 1.374 290 A HN 0.999 nan 8.150 nan 0.000 0.390 291 F N -0.923 118.832 119.950 -0.324 0.000 2.805 291 F HA 0.398 4.915 4.527 -0.017 0.000 0.317 291 F C 0.229 175.956 175.800 -0.122 0.000 1.146 291 F CA -0.060 57.826 58.000 -0.191 0.000 1.265 291 F CB 1.121 40.028 39.000 -0.155 0.000 0.992 291 F HN 0.263 nan 8.300 nan 0.000 0.511 292 V N 3.002 122.924 119.914 0.013 0.000 2.415 292 V HA 0.057 4.167 4.120 -0.017 0.000 0.267 292 V C -1.439 174.716 176.094 0.100 0.000 1.042 292 V CA -0.999 61.355 62.300 0.091 0.000 1.000 292 V CB 0.954 32.885 31.823 0.179 0.000 1.015 292 V HN 0.056 nan 8.190 nan 0.000 0.478 293 P HA -0.134 nan 4.420 nan 0.000 0.218 293 P C 1.226 178.691 177.300 0.274 0.000 1.148 293 P CA 0.869 64.074 63.100 0.175 0.000 0.822 293 P CB 0.204 32.003 31.700 0.164 0.000 0.784 294 Q N -1.686 118.232 119.800 0.197 0.000 2.515 294 Q HA 0.104 4.434 4.340 -0.017 0.000 0.212 294 Q C 0.658 176.788 176.000 0.217 0.000 0.970 294 Q CA 0.778 56.715 55.803 0.223 0.000 0.941 294 Q CB -0.522 28.306 28.738 0.151 0.000 0.998 294 Q HN 0.323 nan 8.270 nan 0.000 0.518 295 M N 1.125 120.849 119.600 0.207 0.000 2.634 295 M HA 0.313 4.783 4.480 -0.017 0.000 0.211 295 M C -2.476 173.932 176.300 0.181 0.000 1.019 295 M CA -1.975 53.471 55.300 0.242 0.000 0.834 295 M CB 1.419 34.219 32.600 0.332 0.000 1.376 295 M HN -0.277 nan 8.290 nan 0.000 0.465 296 P HA -0.015 nan 4.420 nan 0.000 0.267 296 P C -0.600 176.853 177.300 0.256 0.000 1.209 296 P CA 0.082 63.161 63.100 -0.035 0.000 0.763 296 P CB 0.445 31.541 31.700 -1.008 0.000 0.816 297 K N 4.405 125.011 120.400 0.343 0.000 2.368 297 K HA 0.158 4.468 4.320 -0.017 0.000 0.282 297 K C -0.316 176.565 176.600 0.469 0.000 1.035 297 K CA -0.284 56.227 56.287 0.373 0.000 0.973 297 K CB 0.096 32.773 32.500 0.295 0.000 0.957 297 K HN 0.441 nan 8.250 nan 0.000 0.474 298 L N 3.348 124.754 121.223 0.305 0.000 2.395 298 L HA 0.111 4.441 4.340 -0.017 0.000 0.269 298 L C 0.462 177.347 176.870 0.025 0.000 1.133 298 L CA -0.597 54.310 54.840 0.111 0.000 0.812 298 L CB 0.701 42.716 42.059 -0.073 0.000 1.125 298 L HN 0.663 nan 8.230 nan 0.000 0.452 299 N N 0.578 119.164 118.700 -0.191 0.000 2.645 299 N HA 0.045 4.775 4.740 -0.017 0.000 0.233 299 N C 0.717 176.061 175.510 -0.277 0.000 1.058 299 N CA -0.352 52.548 53.050 -0.249 0.000 0.942 299 N CB 0.764 38.985 38.487 -0.444 0.000 1.210 299 N HN 0.612 nan 8.380 nan 0.000 0.512 300 T N -0.383 114.015 114.554 -0.260 0.000 3.227 300 T HA 0.103 4.443 4.350 -0.017 0.000 0.257 300 T C 1.219 175.806 174.700 -0.188 0.000 1.162 300 T CA 0.453 62.312 62.100 -0.402 0.000 1.051 300 T CB 0.009 68.430 68.868 -0.745 0.000 0.953 300 T HN 0.349 nan 8.240 nan 0.000 0.535 301 A N 1.228 123.976 122.820 -0.120 0.000 2.220 301 A HA 0.252 4.562 4.320 -0.017 0.000 0.211 301 A C 1.107 178.645 177.584 -0.078 0.000 1.176 301 A CA -0.426 51.583 52.037 -0.046 0.000 0.834 301 A CB -0.150 18.850 19.000 0.000 0.000 0.868 301 A HN 0.514 nan 8.150 nan 0.000 0.488 302 N N 1.303 119.904 118.700 -0.164 0.000 2.430 302 N HA 0.091 4.821 4.740 -0.017 0.000 0.265 302 N C -1.727 173.658 175.510 -0.209 0.000 1.100 302 N CA -1.427 51.505 53.050 -0.197 0.000 0.961 302 N CB 1.489 39.788 38.487 -0.314 0.000 1.075 302 N HN 0.028 nan 8.380 nan 0.000 0.478 303 P HA -0.159 nan 4.420 nan 0.000 0.217 303 P C 0.623 177.849 177.300 -0.124 0.000 1.148 303 P CA 1.318 64.369 63.100 -0.082 0.000 0.828 303 P CB 0.610 32.292 31.700 -0.030 0.000 0.783 304 E N -0.148 119.927 120.200 -0.207 0.000 2.028 304 E HA -0.088 4.252 4.350 -0.017 0.000 0.190 304 E C 2.185 178.398 176.600 -0.645 0.000 0.984 304 E CA 0.794 57.048 56.400 -0.244 0.000 0.800 304 E CB -1.145 28.539 29.700 -0.026 0.000 0.758 304 E HN -0.066 nan 8.360 nan 0.000 0.448 305 V N 1.153 120.390 119.914 -1.130 0.000 2.287 305 V HA -0.308 3.802 4.120 -0.017 0.000 0.248 305 V C 2.342 178.152 176.094 -0.472 0.000 1.053 305 V CA 2.041 63.679 62.300 -1.103 0.000 1.027 305 V CB -0.467 30.813 31.823 -0.905 0.000 0.646 305 V HN 0.235 nan 8.190 nan 0.000 0.447 306 K N -0.234 120.001 120.400 -0.274 0.000 2.032 306 K HA -0.261 4.049 4.320 -0.017 0.000 0.209 306 K C 2.419 179.044 176.600 0.041 0.000 1.048 306 K CA 1.803 58.099 56.287 0.015 0.000 0.927 306 K CB -0.124 32.417 32.500 0.068 0.000 0.712 306 K HN 0.182 nan 8.250 nan 0.000 0.441 307 R N -0.051 120.443 120.500 -0.010 0.000 2.075 307 R HA -0.151 4.179 4.340 -0.017 0.000 0.232 307 R C 2.086 178.433 176.300 0.079 0.000 1.126 307 R CA 1.577 57.703 56.100 0.042 0.000 0.963 307 R CB -0.918 29.415 30.300 0.055 0.000 0.858 307 R HN 0.349 nan 8.270 nan 0.000 0.435 308 Y N 0.375 120.636 120.300 -0.064 0.000 2.114 308 Y HA -0.178 4.362 4.550 -0.017 0.000 0.284 308 Y C 1.763 177.599 175.900 -0.106 0.000 1.143 308 Y CA 2.094 60.203 58.100 0.015 0.000 1.135 308 Y CB -0.300 38.180 38.460 0.033 0.000 0.980 308 Y HN 0.033 nan 8.280 nan 0.000 0.499 309 L N -0.290 120.804 121.223 -0.215 0.000 2.046 309 L HA -0.262 4.068 4.340 -0.017 0.000 0.208 309 L C 2.471 179.199 176.870 -0.236 0.000 1.077 309 L CA 1.273 55.751 54.840 -0.603 0.000 0.747 309 L CB -0.666 40.914 42.059 -0.798 0.000 0.896 309 L HN 0.333 nan 8.230 nan 0.000 0.432 310 L N -0.639 120.584 121.223 0.001 0.000 2.093 310 L HA -0.207 4.122 4.340 -0.017 0.000 0.208 310 L C 2.272 179.174 176.870 0.053 0.000 1.085 310 L CA 0.963 55.839 54.840 0.059 0.000 0.755 310 L CB -0.611 41.467 42.059 0.032 0.000 0.904 310 L HN 0.311 nan 8.230 nan 0.000 0.435 311 D N -0.187 120.235 120.400 0.036 0.000 2.084 311 D HA -0.153 4.477 4.640 -0.017 0.000 0.194 311 D C 2.346 178.732 176.300 0.143 0.000 0.990 311 D CA 1.194 55.276 54.000 0.137 0.000 0.826 311 D CB -0.282 40.653 40.800 0.225 0.000 0.971 311 D HN 0.083 nan 8.370 nan 0.000 0.453 312 V N 1.906 121.721 119.914 -0.167 0.000 2.252 312 V HA -0.309 3.800 4.120 -0.017 0.000 0.249 312 V C 2.636 178.951 176.094 0.370 0.000 1.056 312 V CA 2.125 64.259 62.300 -0.276 0.000 1.022 312 V CB -0.940 30.598 31.823 -0.476 0.000 0.641 312 V HN 0.202 nan 8.190 nan 0.000 0.445 313 A N 0.494 123.516 122.820 0.337 0.000 1.908 313 A HA -0.273 4.037 4.320 -0.017 0.000 0.218 313 A C 2.463 180.380 177.584 0.556 0.000 1.181 313 A CA 2.933 55.198 52.037 0.381 0.000 0.627 313 A CB -0.981 18.077 19.000 0.097 0.000 0.818 313 A HN 0.688 nan 8.150 nan 0.000 0.445 314 T N -4.358 110.398 114.554 0.337 0.000 2.978 314 T HA -0.097 4.243 4.350 -0.017 0.000 0.262 314 T C 1.795 176.700 174.700 0.341 0.000 1.063 314 T CA 1.210 63.487 62.100 0.295 0.000 1.140 314 T CB -0.519 68.450 68.868 0.169 0.000 0.886 314 T HN 0.429 nan 8.240 nan 0.000 0.470 315 Y N 1.496 121.929 120.300 0.222 0.000 2.053 315 Y HA -0.164 4.376 4.550 -0.017 0.000 0.277 315 Y C 1.833 177.827 175.900 0.157 0.000 1.159 315 Y CA 1.236 59.407 58.100 0.118 0.000 1.125 315 Y CB -0.828 37.649 38.460 0.028 0.000 0.969 315 Y HN 0.259 nan 8.280 nan 0.000 0.492 316 W N 0.159 121.657 121.300 0.330 0.000 2.468 316 W HA -0.092 4.558 4.660 -0.017 0.000 0.262 316 W C 2.122 178.749 176.519 0.180 0.000 1.241 316 W CA 0.894 58.357 57.345 0.197 0.000 1.232 316 W CB -0.304 29.323 29.460 0.278 0.000 1.124 316 W HN 0.107 nan 8.180 nan 0.000 0.597 317 I N -0.503 120.287 120.570 0.366 0.000 2.494 317 I HA -0.088 4.072 4.170 -0.017 0.000 0.250 317 I C 2.659 178.868 176.117 0.154 0.000 1.112 317 I CA 0.843 62.285 61.300 0.238 0.000 1.438 317 I CB -0.404 37.747 38.000 0.252 0.000 1.111 317 I HN -0.118 nan 8.210 nan 0.000 0.431 318 R N 0.907 121.475 120.500 0.114 0.000 2.119 318 R HA -0.074 4.256 4.340 -0.017 0.000 0.222 318 R C 1.798 178.072 176.300 -0.043 0.000 1.088 318 R CA 1.031 57.156 56.100 0.041 0.000 0.984 318 R CB 0.243 30.573 30.300 0.050 0.000 0.884 318 R HN 0.237 nan 8.270 nan 0.000 0.447 319 E N -0.897 119.228 120.200 -0.124 0.000 2.340 319 E HA -0.034 4.306 4.350 -0.017 0.000 0.194 319 E C 0.755 177.042 176.600 -0.521 0.000 0.996 319 E CA 0.707 56.890 56.400 -0.361 0.000 0.869 319 E CB 0.363 29.672 29.700 -0.652 0.000 0.835 319 E HN 0.364 nan 8.360 nan 0.000 0.493 320 F N -0.219 119.696 119.950 -0.059 0.000 2.817 320 F HA 0.159 4.676 4.527 -0.017 0.000 0.333 320 F C 0.228 176.075 175.800 0.079 0.000 1.085 320 F CA -0.374 57.653 58.000 0.045 0.000 1.170 320 F CB 0.854 39.944 39.000 0.150 0.000 1.066 320 F HN -0.214 nan 8.300 nan 0.000 0.564 321 D N 2.405 122.933 120.400 0.214 0.000 2.870 321 D HA -0.198 4.432 4.640 -0.017 0.000 0.228 321 D C 0.135 176.560 176.300 0.209 0.000 1.147 321 D CA 0.566 54.670 54.000 0.173 0.000 0.757 321 D CB -1.189 39.700 40.800 0.149 0.000 1.091 321 D HN 0.473 nan 8.370 nan 0.000 0.429 322 I N -3.082 117.589 120.570 0.167 0.000 2.892 322 I HA 0.120 4.280 4.170 -0.017 0.000 0.287 322 I C 0.947 177.112 176.117 0.079 0.000 1.205 322 I CA 0.147 61.493 61.300 0.078 0.000 1.409 322 I CB 0.570 38.507 38.000 -0.106 0.000 1.367 322 I HN -0.172 nan 8.210 nan 0.000 0.597 323 D N 3.409 123.886 120.400 0.129 0.000 2.369 323 D HA 0.281 4.910 4.640 -0.017 0.000 0.211 323 D C 0.543 177.079 176.300 0.394 0.000 1.077 323 D CA 0.243 54.376 54.000 0.223 0.000 0.842 323 D CB 1.095 41.979 40.800 0.140 0.000 0.947 323 D HN 0.864 nan 8.370 nan 0.000 0.509 324 G N 0.249 109.166 108.800 0.194 0.000 2.579 324 G HA2 0.385 4.335 3.960 -0.017 0.000 0.292 324 G HA3 0.385 4.335 3.960 -0.017 0.000 0.292 324 G C -2.264 172.595 174.900 -0.067 0.000 1.484 324 G CA -0.927 44.295 45.100 0.204 0.000 0.813 324 G HN 0.030 nan 8.290 nan 0.000 0.515 325 W N 1.181 122.479 121.300 -0.003 0.000 2.619 325 W HA 0.604 5.253 4.660 -0.017 0.000 0.327 325 W C 0.207 176.504 176.519 -0.369 0.000 1.027 325 W CA -1.015 56.277 57.345 -0.088 0.000 1.233 325 W CB 2.161 31.683 29.460 0.104 0.000 1.370 325 W HN 0.353 nan 8.180 nan 0.000 0.453 326 R N 5.132 125.566 120.500 -0.111 0.000 2.215 326 R HA 0.341 4.671 4.340 -0.017 0.000 0.337 326 R C -0.988 175.115 176.300 -0.329 0.000 1.010 326 R CA -0.456 55.368 56.100 -0.461 0.000 0.871 326 R CB 0.317 30.205 30.300 -0.687 0.000 1.134 326 R HN 0.702 nan 8.270 nan 0.000 0.477 327 L N 4.342 125.246 121.223 -0.533 0.000 2.433 327 L HA 0.142 4.471 4.340 -0.017 0.000 0.284 327 L C 0.477 177.177 176.870 -0.284 0.000 1.120 327 L CA -0.413 54.125 54.840 -0.504 0.000 0.879 327 L CB 0.260 41.762 42.059 -0.928 0.000 1.232 327 L HN 0.463 nan 8.230 nan 0.000 0.454 328 D N 2.570 122.919 120.400 -0.085 0.000 2.425 328 D HA 0.118 4.748 4.640 -0.017 0.000 0.247 328 D C 0.778 177.126 176.300 0.081 0.000 1.147 328 D CA 0.053 54.085 54.000 0.053 0.000 0.879 328 D CB 0.878 41.794 40.800 0.193 0.000 1.179 328 D HN 0.320 nan 8.370 nan 0.000 0.456 329 V N 2.855 122.816 119.914 0.078 0.000 4.766 329 V HA -0.346 3.764 4.120 -0.017 0.000 0.260 329 V C 1.784 177.960 176.094 0.137 0.000 0.542 329 V CA 0.969 63.342 62.300 0.122 0.000 0.766 329 V CB -2.581 29.372 31.823 0.217 0.000 0.697 329 V HN 0.751 nan 8.190 nan 0.000 1.171 330 A N 1.511 124.357 122.820 0.042 0.000 1.903 330 A HA -0.306 4.003 4.320 -0.017 0.000 0.219 330 A C 1.929 179.678 177.584 0.275 0.000 1.191 330 A CA 2.507 54.639 52.037 0.157 0.000 0.638 330 A CB -0.733 18.019 19.000 -0.414 0.000 0.823 330 A HN 1.112 nan 8.150 nan 0.000 0.451 331 N N -0.600 118.049 118.700 -0.086 0.000 2.430 331 N HA -0.179 4.551 4.740 -0.017 0.000 0.186 331 N C 1.135 176.769 175.510 0.207 0.000 1.032 331 N CA 1.236 54.190 53.050 -0.161 0.000 0.893 331 N CB -0.287 38.035 38.487 -0.276 0.000 0.957 331 N HN 0.684 nan 8.380 nan 0.000 0.442 332 E N -0.032 120.286 120.200 0.196 0.000 2.479 332 E HA 0.204 4.544 4.350 -0.017 0.000 0.193 332 E C -0.059 176.617 176.600 0.127 0.000 1.049 332 E CA -0.062 56.432 56.400 0.157 0.000 0.870 332 E CB 0.450 30.218 29.700 0.114 0.000 0.944 332 E HN 0.446 nan 8.360 nan 0.000 0.492 333 I N 2.644 123.320 120.570 0.177 0.000 2.437 333 I HA 0.036 4.196 4.170 -0.017 0.000 0.298 333 I C 0.464 176.553 176.117 -0.047 0.000 0.984 333 I CA -0.966 60.298 61.300 -0.061 0.000 1.214 333 I CB 1.141 38.932 38.000 -0.347 0.000 1.365 333 I HN 0.009 nan 8.210 nan 0.000 0.469 334 D N 4.989 125.321 120.400 -0.112 0.000 2.419 334 D HA -0.094 4.536 4.640 -0.017 0.000 0.236 334 D C 0.619 176.943 176.300 0.041 0.000 1.165 334 D CA -0.017 53.968 54.000 -0.025 0.000 0.882 334 D CB 0.879 41.695 40.800 0.026 0.000 1.201 334 D HN 0.543 nan 8.370 nan 0.000 0.443 335 H N 0.659 119.857 119.070 0.214 0.000 2.389 335 H HA -0.118 4.427 4.556 -0.017 0.000 0.299 335 H C 1.817 177.259 175.328 0.190 0.000 1.081 335 H CA 1.456 57.644 56.048 0.233 0.000 1.345 335 H CB 0.048 29.843 29.762 0.056 0.000 1.393 335 H HN 0.702 nan 8.280 nan 0.000 0.520 336 E N 0.321 120.671 120.200 0.249 0.000 2.085 336 E HA -0.187 4.153 4.350 -0.017 0.000 0.194 336 E C 1.996 178.694 176.600 0.164 0.000 0.994 336 E CA 0.798 57.301 56.400 0.172 0.000 0.801 336 E CB -0.192 29.584 29.700 0.127 0.000 0.743 336 E HN 0.321 nan 8.360 nan 0.000 0.453 337 F N -0.574 119.373 119.950 -0.004 0.000 2.186 337 F HA -0.120 4.397 4.527 -0.017 0.000 0.299 337 F C 1.499 177.371 175.800 0.119 0.000 1.090 337 F CA 1.433 59.394 58.000 -0.064 0.000 1.307 337 F CB -0.248 38.564 39.000 -0.314 0.000 1.019 337 F HN 0.104 nan 8.300 nan 0.000 0.489 338 W N 0.522 121.952 121.300 0.217 0.000 2.436 338 W HA -0.055 4.595 4.660 -0.017 0.000 0.284 338 W C 2.490 179.090 176.519 0.135 0.000 1.225 338 W CA 0.355 57.814 57.345 0.191 0.000 1.271 338 W CB -0.222 29.399 29.460 0.268 0.000 1.114 338 W HN -0.171 nan 8.180 nan 0.000 0.559 339 R N 0.517 121.205 120.500 0.314 0.000 2.075 339 R HA -0.128 4.202 4.340 -0.017 0.000 0.232 339 R C 1.861 178.240 176.300 0.133 0.000 1.126 339 R CA 1.459 57.674 56.100 0.191 0.000 0.963 339 R CB -0.449 29.928 30.300 0.128 0.000 0.858 339 R HN 0.301 nan 8.270 nan 0.000 0.435 340 E N 0.030 120.266 120.200 0.059 0.000 2.072 340 E HA -0.185 4.155 4.350 -0.017 0.000 0.191 340 E C 1.710 178.300 176.600 -0.015 0.000 0.985 340 E CA 0.926 57.317 56.400 -0.014 0.000 0.801 340 E CB -0.138 29.507 29.700 -0.091 0.000 0.750 340 E HN 0.217 nan 8.360 nan 0.000 0.452 341 F N 2.137 121.967 119.950 -0.200 0.000 2.046 341 F HA -0.266 4.251 4.527 -0.017 0.000 0.297 341 F C 2.582 178.427 175.800 0.074 0.000 1.123 341 F CA 1.951 59.898 58.000 -0.090 0.000 1.199 341 F CB -0.083 38.969 39.000 0.086 0.000 0.972 341 F HN -0.191 nan 8.300 nan 0.000 0.474 342 R N 0.218 120.955 120.500 0.396 0.000 2.097 342 R HA -0.246 4.083 4.340 -0.017 0.000 0.236 342 R C 2.312 178.664 176.300 0.086 0.000 1.135 342 R CA 2.350 58.603 56.100 0.256 0.000 0.934 342 R CB -0.602 29.848 30.300 0.250 0.000 0.846 342 R HN 0.463 nan 8.270 nan 0.000 0.431 343 Q N -0.014 119.828 119.800 0.070 0.000 2.062 343 Q HA -0.232 4.098 4.340 -0.017 0.000 0.209 343 Q C 2.098 178.101 176.000 0.005 0.000 0.996 343 Q CA 2.261 58.084 55.803 0.034 0.000 0.859 343 Q CB -0.130 28.626 28.738 0.030 0.000 0.920 343 Q HN 0.534 nan 8.270 nan 0.000 0.415 344 E N -0.267 119.913 120.200 -0.033 0.000 2.152 344 E HA -0.123 4.217 4.350 -0.017 0.000 0.192 344 E C 2.094 178.658 176.600 -0.059 0.000 0.983 344 E CA 0.955 57.325 56.400 -0.050 0.000 0.818 344 E CB 0.159 29.812 29.700 -0.077 0.000 0.758 344 E HN 0.151 nan 8.360 nan 0.000 0.467 345 V N 1.609 121.448 119.914 -0.124 0.000 2.323 345 V HA -0.184 3.926 4.120 -0.017 0.000 0.244 345 V C 2.097 178.216 176.094 0.040 0.000 1.041 345 V CA 1.393 63.653 62.300 -0.067 0.000 1.025 345 V CB -0.223 31.508 31.823 -0.153 0.000 0.656 345 V HN 0.110 nan 8.190 nan 0.000 0.451 346 K N 0.429 120.858 120.400 0.047 0.000 2.283 346 K HA 0.032 4.342 4.320 -0.017 0.000 0.202 346 K C 2.087 178.718 176.600 0.053 0.000 1.048 346 K CA 1.306 57.633 56.287 0.066 0.000 0.948 346 K CB -0.557 31.979 32.500 0.060 0.000 0.742 346 K HN 0.480 nan 8.250 nan 0.000 0.458 347 A N 0.888 123.731 122.820 0.039 0.000 1.930 347 A HA -0.068 4.241 4.320 -0.017 0.000 0.215 347 A C 2.109 179.718 177.584 0.041 0.000 1.176 347 A CA 0.719 52.777 52.037 0.035 0.000 0.632 347 A CB -0.285 18.730 19.000 0.027 0.000 0.819 347 A HN 0.196 nan 8.150 nan 0.000 0.445 348 L N -1.199 120.053 121.223 0.047 0.000 2.109 348 L HA 0.202 4.532 4.340 -0.017 0.000 0.207 348 L C 0.800 177.708 176.870 0.064 0.000 1.086 348 L CA 1.754 56.628 54.840 0.057 0.000 0.760 348 L CB -0.019 42.083 42.059 0.071 0.000 0.910 348 L HN 0.326 nan 8.230 nan 0.000 0.437 349 K N -1.460 118.986 120.400 0.078 0.000 2.767 349 K HA 0.204 4.513 4.320 -0.017 0.000 0.286 349 K C -2.306 174.361 176.600 0.112 0.000 1.177 349 K CA -0.992 55.348 56.287 0.087 0.000 1.078 349 K CB 1.323 33.882 32.500 0.097 0.000 1.358 349 K HN -0.211 nan 8.250 nan 0.000 0.531 350 P HA -0.190 nan 4.420 nan 0.000 0.217 350 P C 0.307 177.705 177.300 0.164 0.000 1.151 350 P CA 1.147 64.311 63.100 0.106 0.000 0.849 350 P CB 0.258 32.006 31.700 0.080 0.000 0.787 351 D N -1.361 119.164 120.400 0.209 0.000 2.392 351 D HA -0.034 4.596 4.640 -0.017 0.000 0.228 351 D C 0.108 176.713 176.300 0.509 0.000 1.003 351 D CA 0.370 54.603 54.000 0.388 0.000 0.917 351 D CB -0.409 40.579 40.800 0.313 0.000 0.890 351 D HN 0.007 nan 8.370 nan 0.000 0.532 352 V N 1.866 121.987 119.914 0.346 0.000 2.479 352 V HA -0.116 3.994 4.120 -0.017 0.000 0.281 352 V C 0.088 176.420 176.094 0.396 0.000 1.031 352 V CA -0.466 62.061 62.300 0.378 0.000 1.038 352 V CB 0.087 32.080 31.823 0.284 0.000 0.981 352 V HN 0.071 nan 8.190 nan 0.000 0.478 353 Y N 6.534 127.003 120.300 0.282 0.000 2.436 353 Y HA 0.429 4.969 4.550 -0.017 0.000 0.343 353 Y C 0.218 176.156 175.900 0.064 0.000 1.008 353 Y CA -1.236 56.923 58.100 0.099 0.000 1.241 353 Y CB 0.510 39.013 38.460 0.071 0.000 1.153 353 Y HN 0.534 nan 8.280 nan 0.000 0.521 354 I N 8.600 129.100 120.570 -0.117 0.000 2.291 354 I HA 0.137 4.297 4.170 -0.017 0.000 0.290 354 I C -0.958 174.757 176.117 -0.670 0.000 1.050 354 I CA -0.664 60.509 61.300 -0.212 0.000 1.245 354 I CB 0.627 38.670 38.000 0.071 0.000 1.405 354 I HN 0.427 nan 8.210 nan 0.000 0.478 355 L N 7.071 127.757 121.223 -0.896 0.000 2.287 355 L HA 0.726 5.056 4.340 -0.017 0.000 0.287 355 L C 0.164 176.402 176.870 -1.054 0.000 1.022 355 L CA 0.018 54.208 54.840 -1.084 0.000 0.814 355 L CB 1.346 42.603 42.059 -1.335 0.000 1.217 355 L HN 0.488 nan 8.230 nan 0.000 0.420 356 G N 3.311 111.447 108.800 -1.107 0.000 2.356 356 G HA2 0.322 4.272 3.960 -0.017 0.000 0.322 356 G HA3 0.322 4.272 3.960 -0.017 0.000 0.322 356 G C -0.841 173.666 174.900 -0.656 0.000 1.125 356 G CA -0.528 43.870 45.100 -1.171 0.000 0.885 356 G HN 0.719 nan 8.290 nan 0.000 0.467 357 E N 2.414 122.329 120.200 -0.475 0.000 1.932 357 E HA 0.273 4.613 4.350 -0.017 0.000 0.275 357 E C -0.577 175.940 176.600 -0.138 0.000 1.159 357 E CA -0.147 56.119 56.400 -0.223 0.000 0.905 357 E CB 0.110 29.780 29.700 -0.051 0.000 1.059 357 E HN 0.310 nan 8.360 nan 0.000 0.400 358 I N 4.988 125.467 120.570 -0.150 0.000 2.497 358 I HA 0.124 4.284 4.170 -0.017 0.000 0.284 358 I C -0.368 175.731 176.117 -0.031 0.000 1.060 358 I CA -0.830 60.347 61.300 -0.205 0.000 1.071 358 I CB 0.986 38.713 38.000 -0.455 0.000 1.216 358 I HN 0.670 nan 8.210 nan 0.000 0.442 359 W N 4.375 125.555 121.300 -0.200 0.000 2.937 359 W HA 0.036 4.686 4.660 -0.017 0.000 0.245 359 W C 1.390 177.945 176.519 0.059 0.000 1.306 359 W CA 0.111 57.439 57.345 -0.029 0.000 1.470 359 W CB -0.307 29.042 29.460 -0.184 0.000 1.132 359 W HN 0.523 nan 8.180 nan 0.000 0.675 360 H N -1.986 117.259 119.070 0.292 0.000 2.858 360 H HA 0.264 4.810 4.556 -0.017 0.000 0.318 360 H C -0.527 174.960 175.328 0.265 0.000 1.419 360 H CA -1.075 55.119 56.048 0.243 0.000 1.373 360 H CB 0.208 30.085 29.762 0.191 0.000 1.915 360 H HN -0.297 nan 8.280 nan 0.000 0.704 361 D N -0.129 120.565 120.400 0.491 0.000 2.581 361 D HA 0.052 4.682 4.640 -0.017 0.000 0.238 361 D C 0.074 176.724 176.300 0.583 0.000 1.145 361 D CA 0.558 54.812 54.000 0.424 0.000 0.866 361 D CB 0.322 41.306 40.800 0.306 0.000 1.151 361 D HN 0.656 nan 8.370 nan 0.000 0.500 362 A N 4.400 127.576 122.820 0.593 0.000 2.631 362 A HA 0.117 4.427 4.320 -0.017 0.000 0.294 362 A C 1.554 179.553 177.584 0.693 0.000 1.156 362 A CA -0.254 52.191 52.037 0.681 0.000 0.963 362 A CB -0.152 19.065 19.000 0.363 0.000 1.202 362 A HN 0.593 nan 8.150 nan 0.000 0.523 363 M N 1.899 121.853 119.600 0.591 0.000 2.089 363 M HA -0.100 4.369 4.480 -0.017 0.000 0.257 363 M C -0.906 175.517 176.300 0.205 0.000 1.071 363 M CA 2.486 58.025 55.300 0.398 0.000 1.096 363 M CB -0.841 31.916 32.600 0.263 0.000 1.330 363 M HN 0.275 nan 8.290 nan 0.000 0.403 364 P HA -0.175 nan 4.420 nan 0.000 0.223 364 P C 0.834 177.894 177.300 -0.401 0.000 1.144 364 P CA 1.472 64.396 63.100 -0.293 0.000 0.783 364 P CB -0.463 30.887 31.700 -0.584 0.000 0.771 365 W N -0.740 120.577 121.300 0.029 0.000 3.220 365 W HA 0.312 4.962 4.660 -0.017 0.000 0.328 365 W C 0.753 177.173 176.519 -0.164 0.000 1.205 365 W CA -0.006 57.211 57.345 -0.213 0.000 1.773 365 W CB 0.304 29.531 29.460 -0.388 0.000 1.086 365 W HN -0.095 nan 8.180 nan 0.000 0.622 366 L N 0.423 121.745 121.223 0.166 0.000 3.154 366 L HA 0.293 4.623 4.340 -0.017 0.000 0.266 366 L C 1.432 178.396 176.870 0.156 0.000 1.300 366 L CA -0.031 54.912 54.840 0.172 0.000 1.028 366 L CB 0.048 42.111 42.059 0.006 0.000 1.412 366 L HN -0.215 nan 8.230 nan 0.000 0.564 367 R N 0.094 120.691 120.500 0.162 0.000 2.334 367 R HA 0.244 4.573 4.340 -0.017 0.000 0.216 367 R C 1.421 177.900 176.300 0.298 0.000 0.905 367 R CA 0.641 56.844 56.100 0.172 0.000 1.064 367 R CB 0.557 30.899 30.300 0.070 0.000 1.046 367 R HN 0.493 nan 8.270 nan 0.000 0.508 368 G N 1.382 110.403 108.800 0.368 0.000 2.238 368 G HA2 -0.236 3.714 3.960 -0.017 0.000 0.217 368 G HA3 -0.236 3.714 3.960 -0.017 0.000 0.217 368 G C 0.508 175.436 174.900 0.047 0.000 0.996 368 G CA 0.252 45.460 45.100 0.179 0.000 0.632 368 G HN 0.485 nan 8.290 nan 0.000 0.503 369 D N 0.051 120.491 120.400 0.067 0.000 2.349 369 D HA 0.212 4.841 4.640 -0.017 0.000 0.214 369 D C 1.322 177.661 176.300 0.065 0.000 1.063 369 D CA 0.757 54.788 54.000 0.051 0.000 0.847 369 D CB 0.276 41.099 40.800 0.038 0.000 0.933 369 D HN 0.584 nan 8.370 nan 0.000 0.513 370 Q N -0.965 118.861 119.800 0.044 0.000 1.740 370 Q HA 0.245 4.575 4.340 -0.017 0.000 0.152 370 Q C -0.451 175.623 176.000 0.123 0.000 0.431 370 Q CA -0.582 55.230 55.803 0.015 0.000 0.665 370 Q CB 0.626 29.222 28.738 -0.236 0.000 1.023 370 Q HN -0.010 nan 8.270 nan 0.000 0.247 371 F N 1.783 121.747 119.950 0.024 0.000 2.370 371 F HA 0.197 4.714 4.527 -0.017 0.000 0.319 371 F C 1.032 176.823 175.800 -0.016 0.000 1.129 371 F CA -0.823 57.123 58.000 -0.089 0.000 1.109 371 F CB 0.225 39.107 39.000 -0.197 0.000 1.262 371 F HN 0.231 nan 8.300 nan 0.000 0.534 372 D N 0.075 120.541 120.400 0.110 0.000 2.366 372 D HA 0.389 5.019 4.640 -0.017 0.000 0.205 372 D C 0.384 176.812 176.300 0.213 0.000 1.022 372 D CA 0.713 54.773 54.000 0.100 0.000 0.868 372 D CB 0.716 41.561 40.800 0.075 0.000 0.953 372 D HN 0.465 nan 8.370 nan 0.000 0.514 373 A N -0.231 122.585 122.820 -0.006 0.000 2.490 373 A HA 0.516 4.826 4.320 -0.017 0.000 0.292 373 A C -1.444 175.996 177.584 -0.239 0.000 1.047 373 A CA -0.529 51.464 52.037 -0.074 0.000 0.632 373 A CB 0.761 19.752 19.000 -0.014 0.000 1.323 373 A HN 0.040 nan 8.150 nan 0.000 0.448 374 V N -2.344 117.444 119.914 -0.211 0.000 3.130 374 V HA 0.783 4.893 4.120 -0.017 0.000 0.310 374 V C -0.100 175.859 176.094 -0.225 0.000 1.158 374 V CA -1.091 61.044 62.300 -0.274 0.000 1.029 374 V CB 1.837 33.569 31.823 -0.152 0.000 1.057 374 V HN 0.948 nan 8.190 nan 0.000 0.436 375 M N 3.177 122.611 119.600 -0.276 0.000 2.292 375 M HA 0.233 4.703 4.480 -0.017 0.000 0.342 375 M C 0.531 176.718 176.300 -0.190 0.000 1.538 375 M CA 0.108 55.279 55.300 -0.215 0.000 1.163 375 M CB -0.288 32.124 32.600 -0.314 0.000 1.823 375 M HN 0.762 nan 8.290 nan 0.000 0.462 376 N N 2.727 121.344 118.700 -0.137 0.000 3.059 376 N HA -0.052 4.677 4.740 -0.017 0.000 0.321 376 N C 0.232 175.729 175.510 -0.021 0.000 1.224 376 N CA 0.405 53.435 53.050 -0.033 0.000 1.197 376 N CB -0.210 38.264 38.487 -0.022 0.000 1.453 376 N HN 0.509 nan 8.380 nan 0.000 0.544 377 Y N 0.156 120.419 120.300 -0.061 0.000 2.403 377 Y HA -0.048 4.492 4.550 -0.017 0.000 0.291 377 Y C -0.628 175.331 175.900 0.099 0.000 1.143 377 Y CA 0.646 58.703 58.100 -0.072 0.000 1.257 377 Y CB -0.457 37.835 38.460 -0.279 0.000 0.984 377 Y HN 0.413 nan 8.280 nan 0.000 0.550 378 P HA -0.165 nan 4.420 nan 0.000 0.221 378 P C 1.360 178.799 177.300 0.232 0.000 1.150 378 P CA 1.216 64.469 63.100 0.255 0.000 0.800 378 P CB -0.144 31.713 31.700 0.261 0.000 0.787 379 F N 0.377 120.375 119.950 0.080 0.000 2.098 379 F HA -0.159 4.358 4.527 -0.017 0.000 0.294 379 F C 1.941 177.760 175.800 0.032 0.000 1.107 379 F CA 1.725 59.746 58.000 0.035 0.000 1.234 379 F CB -1.213 37.781 39.000 -0.009 0.000 1.002 379 F HN -0.191 nan 8.300 nan 0.000 0.472 380 T N 0.113 114.828 114.554 0.269 0.000 2.624 380 T HA -0.347 3.993 4.350 -0.017 0.000 0.268 380 T C 1.485 176.201 174.700 0.027 0.000 1.041 380 T CA 2.121 64.287 62.100 0.110 0.000 1.159 380 T CB -0.797 68.123 68.868 0.086 0.000 0.863 380 T HN 0.531 nan 8.240 nan 0.000 0.434 381 D N 0.574 121.031 120.400 0.094 0.000 2.092 381 D HA -0.083 4.546 4.640 -0.017 0.000 0.193 381 D C 2.368 178.687 176.300 0.031 0.000 0.994 381 D CA 1.562 55.610 54.000 0.080 0.000 0.828 381 D CB -0.686 40.189 40.800 0.125 0.000 0.963 381 D HN 0.377 nan 8.370 nan 0.000 0.450 382 G N -0.238 108.570 108.800 0.014 0.000 2.418 382 G HA2 -0.202 3.748 3.960 -0.017 0.000 0.217 382 G HA3 -0.202 3.748 3.960 -0.017 0.000 0.217 382 G C 1.816 176.798 174.900 0.138 0.000 1.158 382 G CA 0.925 46.052 45.100 0.046 0.000 0.771 382 G HN 0.311 nan 8.290 nan 0.000 0.545 383 V N 0.928 120.834 119.914 -0.013 0.000 2.343 383 V HA -0.102 4.008 4.120 -0.017 0.000 0.247 383 V C 2.911 178.984 176.094 -0.035 0.000 1.051 383 V CA 1.375 63.643 62.300 -0.053 0.000 1.036 383 V CB -0.362 31.263 31.823 -0.330 0.000 0.654 383 V HN 0.339 nan 8.190 nan 0.000 0.451 384 L N -0.699 120.496 121.223 -0.047 0.000 2.093 384 L HA -0.143 4.187 4.340 -0.017 0.000 0.208 384 L C 2.751 179.583 176.870 -0.064 0.000 1.085 384 L CA 1.479 56.293 54.840 -0.044 0.000 0.755 384 L CB -0.598 41.441 42.059 -0.033 0.000 0.904 384 L HN 0.235 nan 8.230 nan 0.000 0.435 385 R N -0.944 119.530 120.500 -0.043 0.000 2.120 385 R HA -0.169 4.160 4.340 -0.017 0.000 0.234 385 R C 2.168 178.410 176.300 -0.095 0.000 1.123 385 R CA 1.474 57.547 56.100 -0.045 0.000 0.975 385 R CB -0.231 30.069 30.300 0.001 0.000 0.866 385 R HN 0.254 nan 8.270 nan 0.000 0.446 386 F N -0.187 119.530 119.950 -0.387 0.000 2.220 386 F HA 0.048 4.565 4.527 -0.016 0.000 0.290 386 F C 1.492 176.895 175.800 -0.662 0.000 1.080 386 F CA 0.911 58.505 58.000 -0.677 0.000 1.318 386 F CB -0.132 38.016 39.000 -1.421 0.000 1.063 386 F HN -0.218 nan 8.300 nan 0.000 0.498 387 F N 0.159 119.772 119.950 -0.562 0.000 2.270 387 F HA 0.200 4.717 4.527 -0.017 0.000 0.295 387 F C 2.432 178.028 175.800 -0.339 0.000 1.087 387 F CA 1.085 58.779 58.000 -0.510 0.000 1.365 387 F CB -1.215 37.579 39.000 -0.344 0.000 1.056 387 F HN 0.055 nan 8.300 nan 0.000 0.506 388 A N -0.026 122.741 122.820 -0.089 0.000 1.887 388 A HA 0.009 4.319 4.320 -0.017 0.000 0.210 388 A C 1.966 179.478 177.584 -0.119 0.000 1.221 388 A CA 0.854 52.829 52.037 -0.104 0.000 0.635 388 A CB -0.295 18.654 19.000 -0.085 0.000 0.881 388 A HN 0.251 nan 8.150 nan 0.000 0.456 389 K N -0.473 119.857 120.400 -0.118 0.000 2.356 389 K HA 0.145 4.455 4.320 -0.017 0.000 0.195 389 K C -0.452 176.077 176.600 -0.118 0.000 1.037 389 K CA 0.390 56.617 56.287 -0.101 0.000 1.014 389 K CB 0.263 32.719 32.500 -0.075 0.000 0.815 389 K HN 0.485 nan 8.250 nan 0.000 0.507 390 E N 1.018 121.107 120.200 -0.185 0.000 2.328 390 E HA -0.243 4.097 4.350 -0.017 0.000 0.233 390 E C 0.094 176.621 176.600 -0.120 0.000 1.219 390 E CA 0.836 57.107 56.400 -0.215 0.000 0.717 390 E CB -1.168 28.429 29.700 -0.172 0.000 1.210 390 E HN 0.611 nan 8.360 nan 0.000 0.381 391 E N 0.415 120.562 120.200 -0.088 0.000 2.474 391 E HA 0.147 4.486 4.350 -0.017 0.000 0.195 391 E C 0.898 177.480 176.600 -0.031 0.000 1.039 391 E CA 0.117 56.485 56.400 -0.053 0.000 0.881 391 E CB 0.087 29.760 29.700 -0.045 0.000 0.970 391 E HN 0.517 nan 8.360 nan 0.000 0.486 392 I N -1.799 118.767 120.570 -0.007 0.000 2.894 392 I HA 0.490 4.650 4.170 -0.017 0.000 0.302 392 I C -0.119 176.060 176.117 0.103 0.000 1.188 392 I CA -1.360 59.956 61.300 0.027 0.000 1.014 392 I CB 2.224 40.243 38.000 0.032 0.000 1.242 392 I HN -0.017 nan 8.210 nan 0.000 0.430 393 S N 3.159 118.889 115.700 0.051 0.000 2.634 393 S HA 0.552 5.012 4.470 -0.017 0.000 0.261 393 S C 1.234 175.847 174.600 0.022 0.000 1.271 393 S CA -0.013 58.228 58.200 0.069 0.000 0.985 393 S CB 1.456 64.642 63.200 -0.024 0.000 0.968 393 S HN 1.026 nan 8.310 nan 0.000 0.568 394 A N 0.525 123.339 122.820 -0.010 0.000 1.969 394 A HA -0.036 4.274 4.320 -0.017 0.000 0.218 394 A C 2.299 179.715 177.584 -0.279 0.000 1.169 394 A CA 1.405 53.254 52.037 -0.314 0.000 0.635 394 A CB -0.821 18.143 19.000 -0.060 0.000 0.810 394 A HN 0.911 nan 8.150 nan 0.000 0.445 395 R N -0.287 120.095 120.500 -0.196 0.000 2.073 395 R HA -0.169 4.161 4.340 -0.017 0.000 0.234 395 R C 2.282 178.425 176.300 -0.260 0.000 1.134 395 R CA 1.882 57.836 56.100 -0.242 0.000 0.952 395 R CB -0.318 29.863 30.300 -0.198 0.000 0.850 395 R HN 0.681 nan 8.270 nan 0.000 0.433 396 Q N -0.674 119.010 119.800 -0.193 0.000 2.119 396 Q HA -0.169 4.161 4.340 -0.017 0.000 0.201 396 Q C 1.912 177.777 176.000 -0.224 0.000 0.972 396 Q CA 1.411 57.108 55.803 -0.177 0.000 0.847 396 Q CB -0.187 28.487 28.738 -0.106 0.000 0.903 396 Q HN 0.311 nan 8.270 nan 0.000 0.433 397 F N 1.468 121.154 119.950 -0.439 0.000 2.134 397 F HA -0.149 4.368 4.527 -0.017 0.000 0.299 397 F C 2.143 177.567 175.800 -0.627 0.000 1.097 397 F CA 1.262 58.922 58.000 -0.567 0.000 1.264 397 F CB -0.430 37.967 39.000 -1.005 0.000 1.001 397 F HN -0.006 nan 8.300 nan 0.000 0.479 398 A N 0.563 122.860 122.820 -0.872 0.000 1.902 398 A HA -0.213 4.096 4.320 -0.017 0.000 0.217 398 A C 2.119 179.191 177.584 -0.854 0.000 1.181 398 A CA 1.865 53.050 52.037 -1.419 0.000 0.623 398 A CB -0.956 17.352 19.000 -1.154 0.000 0.818 398 A HN 0.505 nan 8.150 nan 0.000 0.443 399 N N -0.498 117.906 118.700 -0.494 0.000 2.120 399 N HA -0.184 4.546 4.740 -0.017 0.000 0.188 399 N C 1.900 177.294 175.510 -0.193 0.000 1.024 399 N CA 1.743 54.635 53.050 -0.264 0.000 0.852 399 N CB -0.417 37.950 38.487 -0.200 0.000 1.003 399 N HN 0.612 nan 8.380 nan 0.000 0.424 400 Q N 0.337 119.972 119.800 -0.276 0.000 2.079 400 Q HA 0.067 4.397 4.340 -0.017 0.000 0.200 400 Q C 1.838 177.750 176.000 -0.147 0.000 0.974 400 Q CA 1.154 56.847 55.803 -0.182 0.000 0.840 400 Q CB -0.156 28.458 28.738 -0.206 0.000 0.898 400 Q HN 0.188 nan 8.270 nan 0.000 0.430 401 M N -0.787 118.592 119.600 -0.368 0.000 2.117 401 M HA -0.101 4.369 4.480 -0.017 0.000 0.262 401 M C 1.874 178.230 176.300 0.093 0.000 1.065 401 M CA 1.282 56.490 55.300 -0.154 0.000 1.114 401 M CB -0.716 31.750 32.600 -0.223 0.000 1.361 401 M HN 0.332 nan 8.290 nan 0.000 0.408 402 M N -1.625 118.004 119.600 0.048 0.000 2.175 402 M HA -0.166 4.303 4.480 -0.017 0.000 0.264 402 M C 2.171 178.612 176.300 0.234 0.000 1.063 402 M CA 1.574 57.008 55.300 0.223 0.000 1.119 402 M CB -1.520 31.176 32.600 0.160 0.000 1.377 402 M HN 0.343 nan 8.290 nan 0.000 0.415 403 H N 1.030 120.138 119.070 0.063 0.000 2.293 403 H HA -0.113 4.433 4.556 -0.017 0.000 0.300 403 H C 1.939 177.271 175.328 0.006 0.000 1.082 403 H CA 2.728 58.813 56.048 0.061 0.000 1.308 403 H CB -0.055 29.741 29.762 0.058 0.000 1.375 403 H HN 0.150 nan 8.280 nan 0.000 0.495 404 V N -0.896 119.080 119.914 0.104 0.000 2.427 404 V HA -0.155 3.955 4.120 -0.017 0.000 0.248 404 V C 2.417 178.501 176.094 -0.017 0.000 1.051 404 V CA 1.784 64.103 62.300 0.031 0.000 1.048 404 V CB -0.931 30.995 31.823 0.172 0.000 0.666 404 V HN 0.394 nan 8.190 nan 0.000 0.456 405 L N -0.193 121.060 121.223 0.050 0.000 2.056 405 L HA -0.088 4.242 4.340 -0.017 0.000 0.207 405 L C 2.681 179.403 176.870 -0.246 0.000 1.078 405 L CA 1.962 56.793 54.840 -0.015 0.000 0.749 405 L CB -0.685 41.370 42.059 -0.007 0.000 0.901 405 L HN 0.373 nan 8.230 nan 0.000 0.433 406 H N -1.427 117.444 119.070 -0.332 0.000 2.555 406 H HA -0.047 4.498 4.556 -0.018 0.000 0.269 406 H C 2.272 177.265 175.328 -0.559 0.000 0.988 406 H CA 0.909 56.622 56.048 -0.559 0.000 1.178 406 H CB 0.115 29.151 29.762 -1.209 0.000 1.373 406 H HN 0.303 nan 8.280 nan 0.000 0.588 407 S N -0.524 114.916 115.700 -0.434 0.000 2.603 407 S HA 0.002 4.462 4.470 -0.017 0.000 0.220 407 S C -0.125 174.184 174.600 -0.485 0.000 0.967 407 S CA -0.049 57.855 58.200 -0.493 0.000 0.920 407 S CB -0.046 62.792 63.200 -0.604 0.000 0.773 407 S HN 0.160 nan 8.310 nan 0.000 0.529 408 Y N 0.470 120.653 120.300 -0.194 0.000 2.576 408 Y HA 0.640 5.179 4.550 -0.017 0.000 0.346 408 Y C -2.810 172.914 175.900 -0.294 0.000 1.018 408 Y CA -2.985 54.987 58.100 -0.213 0.000 1.050 408 Y CB 0.751 39.099 38.460 -0.187 0.000 1.280 408 Y HN -0.082 nan 8.280 nan 0.000 0.474 409 P HA 0.133 nan 4.420 nan 0.000 0.272 409 P C 0.045 177.120 177.300 -0.374 0.000 1.223 409 P CA 0.085 62.721 63.100 -0.774 0.000 0.784 409 P CB 0.868 31.685 31.700 -1.472 0.000 0.923 410 N N 1.933 120.614 118.700 -0.032 0.000 2.104 410 N HA -0.190 4.540 4.740 -0.017 0.000 0.190 410 N C 1.195 176.759 175.510 0.090 0.000 1.024 410 N CA 1.701 54.819 53.050 0.115 0.000 0.853 410 N CB -0.894 37.791 38.487 0.330 0.000 1.008 410 N HN 0.534 nan 8.380 nan 0.000 0.424 411 N N -0.031 118.732 118.700 0.105 0.000 2.453 411 N HA -0.064 4.666 4.740 -0.017 0.000 0.183 411 N C 1.314 176.725 175.510 -0.165 0.000 1.041 411 N CA 0.534 53.592 53.050 0.013 0.000 0.900 411 N CB -0.567 37.891 38.487 -0.049 0.000 0.961 411 N HN 0.075 nan 8.380 nan 0.000 0.443 412 V N 0.946 120.580 119.914 -0.468 0.000 2.346 412 V HA -0.102 4.008 4.120 -0.017 0.000 0.244 412 V C 1.690 177.609 176.094 -0.291 0.000 1.037 412 V CA 1.288 63.205 62.300 -0.638 0.000 1.029 412 V CB -0.566 30.778 31.823 -0.799 0.000 0.663 412 V HN 0.311 nan 8.190 nan 0.000 0.454 413 N N 0.288 118.867 118.700 -0.202 0.000 2.381 413 N HA -0.148 4.582 4.740 -0.017 0.000 0.182 413 N C 1.680 177.138 175.510 -0.087 0.000 1.025 413 N CA 0.939 53.922 53.050 -0.113 0.000 0.888 413 N CB -0.142 38.294 38.487 -0.085 0.000 0.965 413 N HN 0.601 nan 8.380 nan 0.000 0.438 414 E N -0.085 120.079 120.200 -0.059 0.000 2.358 414 E HA 0.078 4.418 4.350 -0.017 0.000 0.195 414 E C 1.102 177.692 176.600 -0.017 0.000 1.010 414 E CA 0.469 56.848 56.400 -0.034 0.000 0.856 414 E CB 0.186 29.894 29.700 0.013 0.000 0.795 414 E HN 0.309 nan 8.360 nan 0.000 0.504 415 A N 0.636 123.467 122.820 0.020 0.000 2.431 415 A HA 0.482 4.792 4.320 -0.017 0.000 0.239 415 A C 0.912 178.572 177.584 0.128 0.000 1.230 415 A CA -0.048 52.032 52.037 0.072 0.000 0.928 415 A CB 0.374 19.482 19.000 0.181 0.000 1.006 415 A HN 0.172 nan 8.150 nan 0.000 0.520 416 A N -0.207 122.639 122.820 0.044 0.000 2.540 416 A HA 0.367 4.676 4.320 -0.017 0.000 0.239 416 A C -0.246 177.394 177.584 0.093 0.000 1.061 416 A CA 0.092 52.152 52.037 0.037 0.000 0.758 416 A CB -0.506 18.479 19.000 -0.025 0.000 0.991 416 A HN 0.532 nan 8.150 nan 0.000 0.502 417 F N 3.739 123.637 119.950 -0.086 0.000 2.509 417 F HA 0.178 4.695 4.527 -0.017 0.000 0.350 417 F C 0.068 175.725 175.800 -0.238 0.000 1.220 417 F CA -0.635 57.287 58.000 -0.131 0.000 1.151 417 F CB 0.147 39.010 39.000 -0.228 0.000 1.379 417 F HN 0.525 nan 8.300 nan 0.000 0.610 418 N N 8.169 126.633 118.700 -0.394 0.000 2.437 418 N HA 0.236 4.966 4.740 -0.017 0.000 0.243 418 N C -0.513 174.679 175.510 -0.531 0.000 1.041 418 N CA -0.175 52.492 53.050 -0.639 0.000 0.940 418 N CB 1.154 39.079 38.487 -0.937 0.000 1.133 418 N HN 0.612 nan 8.380 nan 0.000 0.506 419 L N -1.254 119.737 121.223 -0.387 0.000 2.313 419 L HA 0.614 4.944 4.340 -0.017 0.000 0.268 419 L C 0.225 177.058 176.870 -0.062 0.000 1.010 419 L CA -0.923 53.763 54.840 -0.255 0.000 0.814 419 L CB 1.416 43.289 42.059 -0.309 0.000 1.304 419 L HN 0.207 nan 8.230 nan 0.000 0.441 420 L N 0.576 121.760 121.223 -0.065 0.000 2.609 420 L HA 0.550 4.880 4.340 -0.017 0.000 0.230 420 L C 0.814 177.623 176.870 -0.101 0.000 1.087 420 L CA 0.495 55.302 54.840 -0.055 0.000 0.874 420 L CB 0.634 42.598 42.059 -0.159 0.000 1.114 420 L HN 0.959 nan 8.230 nan 0.000 0.488 421 G N -0.923 107.799 108.800 -0.131 0.000 2.451 421 G HA2 0.502 4.452 3.960 -0.017 0.000 0.292 421 G HA3 0.502 4.452 3.960 -0.017 0.000 0.292 421 G C -1.361 173.378 174.900 -0.268 0.000 1.427 421 G CA 0.321 45.321 45.100 -0.167 0.000 0.792 421 G HN -0.005 nan 8.290 nan 0.000 0.498 422 S N -1.819 113.595 115.700 -0.478 0.000 2.755 422 S HA 0.475 4.935 4.470 -0.017 0.000 0.286 422 S C 0.794 174.830 174.600 -0.940 0.000 1.207 422 S CA 0.291 58.105 58.200 -0.644 0.000 0.892 422 S CB 0.833 64.007 63.200 -0.042 0.000 1.240 422 S HN 1.531 nan 8.310 nan 0.000 0.525 423 H N 0.309 119.044 119.070 -0.558 0.000 2.561 423 H HA 0.203 4.748 4.556 -0.017 0.000 0.278 423 H C -0.228 175.001 175.328 -0.165 0.000 1.014 423 H CA 1.109 56.986 56.048 -0.284 0.000 1.211 423 H CB -0.580 29.156 29.762 -0.043 0.000 1.365 423 H HN 0.578 nan 8.280 nan 0.000 0.594 424 D N 1.335 121.453 120.400 -0.470 0.000 2.402 424 D HA 0.073 4.703 4.640 -0.017 0.000 0.216 424 D C 0.612 176.896 176.300 -0.027 0.000 1.128 424 D CA 0.433 54.287 54.000 -0.242 0.000 0.833 424 D CB 0.891 41.615 40.800 -0.125 0.000 0.971 424 D HN 0.547 nan 8.370 nan 0.000 0.503 425 T N -2.285 112.212 114.554 -0.095 0.000 2.865 425 T HA 0.507 4.847 4.350 -0.017 0.000 0.294 425 T C 0.223 174.861 174.700 -0.103 0.000 1.119 425 T CA -0.695 61.386 62.100 -0.032 0.000 1.007 425 T CB 2.055 70.931 68.868 0.013 0.000 1.225 425 T HN -0.086 nan 8.240 nan 0.000 0.515 426 S N 0.994 116.656 115.700 -0.063 0.000 2.614 426 S HA 0.482 4.942 4.470 -0.017 0.000 0.265 426 S C 0.214 174.766 174.600 -0.079 0.000 1.303 426 S CA -1.094 57.066 58.200 -0.067 0.000 1.000 426 S CB 0.128 63.300 63.200 -0.047 0.000 0.935 426 S HN 0.753 nan 8.310 nan 0.000 0.551 427 R N 1.090 121.555 120.500 -0.059 0.000 2.537 427 R HA 0.144 4.474 4.340 -0.017 0.000 0.280 427 R C 1.689 177.954 176.300 -0.058 0.000 1.058 427 R CA -0.045 56.030 56.100 -0.042 0.000 1.057 427 R CB -0.012 30.269 30.300 -0.030 0.000 0.973 427 R HN 0.885 nan 8.270 nan 0.000 0.438 428 I N 0.296 120.824 120.570 -0.071 0.000 2.264 428 I HA -0.271 3.889 4.170 -0.017 0.000 0.248 428 I C 1.885 177.949 176.117 -0.088 0.000 1.111 428 I CA 1.253 62.493 61.300 -0.100 0.000 1.382 428 I CB -0.327 37.572 38.000 -0.169 0.000 1.060 428 I HN 0.347 nan 8.210 nan 0.000 0.418 429 L N 1.503 122.687 121.223 -0.066 0.000 2.131 429 L HA -0.113 4.217 4.340 -0.017 0.000 0.210 429 L C 2.347 179.181 176.870 -0.060 0.000 1.092 429 L CA 2.162 56.968 54.840 -0.057 0.000 0.759 429 L CB -1.067 40.972 42.059 -0.033 0.000 0.903 429 L HN 0.265 nan 8.230 nan 0.000 0.435 430 T N -1.542 112.978 114.554 -0.055 0.000 2.942 430 T HA -0.058 4.282 4.350 -0.017 0.000 0.265 430 T C 1.906 176.573 174.700 -0.056 0.000 1.062 430 T CA 1.270 63.338 62.100 -0.052 0.000 1.139 430 T CB -0.101 68.739 68.868 -0.047 0.000 0.883 430 T HN 0.191 nan 8.240 nan 0.000 0.468 431 V N 0.674 120.552 119.914 -0.061 0.000 2.548 431 V HA -0.113 3.996 4.120 -0.017 0.000 0.249 431 V C 2.364 178.414 176.094 -0.073 0.000 1.055 431 V CA 0.992 63.255 62.300 -0.062 0.000 1.065 431 V CB -0.641 31.145 31.823 -0.061 0.000 0.681 431 V HN 0.536 nan 8.190 nan 0.000 0.462 432 C N 1.008 120.257 119.300 -0.084 0.000 2.573 432 C HA 0.404 4.854 4.460 -0.017 0.000 0.273 432 C C 1.981 176.912 174.990 -0.098 0.000 1.346 432 C CA 0.185 59.141 59.018 -0.102 0.000 1.702 432 C CB -1.507 26.162 27.740 -0.118 0.000 1.751 432 C HN 0.829 nan 8.230 nan 0.000 0.583 433 G N 0.371 109.125 108.800 -0.077 0.000 2.225 433 G HA2 0.012 3.962 3.960 -0.017 0.000 0.267 433 G HA3 0.012 3.962 3.960 -0.017 0.000 0.267 433 G C 0.941 175.802 174.900 -0.066 0.000 1.024 433 G CA 0.588 45.648 45.100 -0.067 0.000 0.784 433 G HN 1.496 nan 8.290 nan 0.000 0.507 434 G N -1.089 107.671 108.800 -0.067 0.000 2.176 434 G HA2 -0.223 3.727 3.960 -0.017 0.000 0.253 434 G HA3 -0.223 3.727 3.960 -0.017 0.000 0.253 434 G C 0.134 174.990 174.900 -0.073 0.000 0.979 434 G CA 0.852 45.916 45.100 -0.060 0.000 0.641 434 G HN 1.268 nan 8.290 nan 0.000 0.530 435 D N 1.155 121.493 120.400 -0.105 0.000 2.393 435 D HA 0.353 4.983 4.640 -0.017 0.000 0.232 435 D C 1.896 178.114 176.300 -0.137 0.000 1.192 435 D CA -0.750 53.165 54.000 -0.141 0.000 0.882 435 D CB 0.019 40.685 40.800 -0.224 0.000 1.038 435 D HN 0.036 nan 8.370 nan 0.000 0.499 436 I N 3.772 124.285 120.570 -0.095 0.000 2.335 436 I HA -0.252 3.908 4.170 -0.017 0.000 0.251 436 I C 2.145 178.203 176.117 -0.097 0.000 1.129 436 I CA 0.939 62.198 61.300 -0.069 0.000 1.402 436 I CB -0.378 37.600 38.000 -0.037 0.000 1.069 436 I HN 0.429 nan 8.210 nan 0.000 0.424 437 R N 0.713 121.134 120.500 -0.132 0.000 2.105 437 R HA -0.176 4.154 4.340 -0.017 0.000 0.239 437 R C 2.249 178.448 176.300 -0.168 0.000 1.135 437 R CA 1.249 57.273 56.100 -0.128 0.000 0.967 437 R CB -0.231 29.972 30.300 -0.161 0.000 0.861 437 R HN 0.398 nan 8.270 nan 0.000 0.442 438 K N 0.202 120.444 120.400 -0.264 0.000 2.057 438 K HA -0.059 4.251 4.320 -0.017 0.000 0.206 438 K C 2.064 178.574 176.600 -0.151 0.000 1.050 438 K CA 1.180 57.339 56.287 -0.213 0.000 0.935 438 K CB -0.053 32.299 32.500 -0.247 0.000 0.715 438 K HN -0.002 nan 8.250 nan 0.000 0.439 439 V N 2.187 122.023 119.914 -0.130 0.000 2.490 439 V HA -0.251 3.859 4.120 -0.017 0.000 0.250 439 V C 1.962 178.041 176.094 -0.025 0.000 1.061 439 V CA 1.684 63.924 62.300 -0.101 0.000 1.064 439 V CB -0.430 31.380 31.823 -0.021 0.000 0.670 439 V HN 0.302 nan 8.190 nan 0.000 0.461 440 K N -0.157 120.202 120.400 -0.070 0.000 2.097 440 K HA -0.079 4.231 4.320 -0.017 0.000 0.205 440 K C 2.080 178.603 176.600 -0.129 0.000 1.050 440 K CA 1.210 57.398 56.287 -0.165 0.000 0.938 440 K CB -0.252 31.974 32.500 -0.458 0.000 0.718 440 K HN 0.375 nan 8.250 nan 0.000 0.442 441 L N 0.880 121.963 121.223 -0.234 0.000 2.027 441 L HA -0.178 4.151 4.340 -0.017 0.000 0.206 441 L C 2.374 178.867 176.870 -0.628 0.000 1.074 441 L CA 1.020 55.616 54.840 -0.408 0.000 0.745 441 L CB -0.562 41.340 42.059 -0.262 0.000 0.898 441 L HN 0.171 nan 8.230 nan 0.000 0.433 442 L N -0.912 119.989 121.223 -0.536 0.000 1.990 442 L HA -0.284 4.046 4.340 -0.017 0.000 0.213 442 L C 2.565 179.290 176.870 -0.242 0.000 1.072 442 L CA 1.754 56.310 54.840 -0.473 0.000 0.755 442 L CB -0.599 41.230 42.059 -0.384 0.000 0.889 442 L HN 0.127 nan 8.230 nan 0.000 0.432 443 F N -0.880 119.014 119.950 -0.093 0.000 2.216 443 F HA -0.252 4.264 4.527 -0.017 0.000 0.300 443 F C 2.304 178.076 175.800 -0.045 0.000 1.085 443 F CA 0.680 58.670 58.000 -0.017 0.000 1.326 443 F CB -0.099 38.937 39.000 0.060 0.000 1.027 443 F HN 0.070 nan 8.300 nan 0.000 0.497 444 L N -0.607 120.672 121.223 0.093 0.000 2.027 444 L HA -0.209 4.121 4.340 -0.017 0.000 0.206 444 L C 2.045 178.978 176.870 0.105 0.000 1.074 444 L CA 1.790 56.623 54.840 -0.013 0.000 0.745 444 L CB -1.106 40.822 42.059 -0.219 0.000 0.898 444 L HN 0.116 nan 8.230 nan 0.000 0.433 445 F N 0.043 119.953 119.950 -0.067 0.000 2.146 445 F HA -0.186 4.331 4.527 -0.017 0.000 0.298 445 F C 2.699 178.609 175.800 0.184 0.000 1.096 445 F CA 2.013 60.060 58.000 0.080 0.000 1.275 445 F CB -0.343 38.620 39.000 -0.062 0.000 1.008 445 F HN 0.316 nan 8.300 nan 0.000 0.480 446 Q N 0.328 120.295 119.800 0.278 0.000 2.061 446 Q HA -0.199 4.131 4.340 -0.017 0.000 0.204 446 Q C 1.982 178.074 176.000 0.154 0.000 0.984 446 Q CA 1.994 57.963 55.803 0.278 0.000 0.846 446 Q CB -0.321 28.559 28.738 0.235 0.000 0.902 446 Q HN 0.516 nan 8.270 nan 0.000 0.421 447 L N 0.474 121.774 121.223 0.129 0.000 2.610 447 L HA 0.006 4.336 4.340 -0.017 0.000 0.232 447 L C 1.669 178.573 176.870 0.056 0.000 1.149 447 L CA 0.997 55.883 54.840 0.078 0.000 0.872 447 L CB -0.033 42.055 42.059 0.049 0.000 0.992 447 L HN 0.327 nan 8.230 nan 0.000 0.447 448 T N -4.569 110.025 114.554 0.066 0.000 3.085 448 T HA 0.156 4.496 4.350 -0.017 0.000 0.264 448 T C 0.022 174.752 174.700 0.049 0.000 1.019 448 T CA -0.299 61.842 62.100 0.067 0.000 0.910 448 T CB -0.139 68.810 68.868 0.135 0.000 1.059 448 T HN -0.060 nan 8.240 nan 0.000 0.542 449 F N 2.921 122.768 119.950 -0.172 0.000 2.420 449 F HA 0.503 5.020 4.527 -0.017 0.000 0.342 449 F C 0.338 176.059 175.800 -0.130 0.000 1.113 449 F CA -0.806 57.068 58.000 -0.211 0.000 1.059 449 F CB 1.392 40.265 39.000 -0.211 0.000 1.128 449 F HN -0.068 nan 8.300 nan 0.000 0.475 450 T N 4.536 118.793 114.554 -0.496 0.000 2.908 450 T HA 0.490 4.830 4.350 -0.017 0.000 0.301 450 T C 0.409 174.981 174.700 -0.213 0.000 1.019 450 T CA 0.958 62.863 62.100 -0.326 0.000 1.152 450 T CB 0.036 68.679 68.868 -0.376 0.000 0.966 450 T HN 1.074 nan 8.240 nan 0.000 0.540 451 G N 1.723 110.462 108.800 -0.101 0.000 2.302 451 G HA2 0.260 4.210 3.960 -0.017 0.000 0.264 451 G HA3 0.260 4.210 3.960 -0.017 0.000 0.264 451 G C -0.767 174.114 174.900 -0.031 0.000 1.335 451 G CA -0.353 44.714 45.100 -0.055 0.000 0.982 451 G HN 0.687 nan 8.290 nan 0.000 0.473 452 S N 2.765 118.460 115.700 -0.007 0.000 2.252 452 S HA 0.633 5.093 4.470 -0.017 0.000 0.187 452 S C -2.289 172.297 174.600 -0.023 0.000 1.587 452 S CA -0.855 57.380 58.200 0.058 0.000 1.215 452 S CB 0.968 64.284 63.200 0.194 0.000 1.085 452 S HN 0.604 nan 8.310 nan 0.000 0.466 453 P HA 0.186 nan 4.420 nan 0.000 0.270 453 P C -0.468 176.743 177.300 -0.149 0.000 1.223 453 P CA -0.302 62.705 63.100 -0.155 0.000 0.785 453 P CB 0.663 32.334 31.700 -0.047 0.000 0.923 454 C N 3.699 122.835 119.300 -0.272 0.000 2.535 454 C HA 0.613 5.063 4.460 -0.017 0.000 0.319 454 C C -0.386 174.599 174.990 -0.007 0.000 1.171 454 C CA -0.673 58.243 59.018 -0.170 0.000 1.394 454 C CB -0.328 27.039 27.740 -0.621 0.000 1.990 454 C HN 0.451 nan 8.230 nan 0.000 0.466 455 I N 5.649 126.286 120.570 0.112 0.000 2.336 455 I HA 0.253 4.413 4.170 -0.017 0.000 0.292 455 I C -0.678 175.419 176.117 -0.033 0.000 0.991 455 I CA -0.563 60.806 61.300 0.115 0.000 1.227 455 I CB 1.047 39.169 38.000 0.204 0.000 1.366 455 I HN 0.623 nan 8.210 nan 0.000 0.466 456 Y N 8.382 128.603 120.300 -0.132 0.000 2.436 456 Y HA 0.131 4.671 4.550 -0.017 0.000 0.336 456 Y C 0.033 175.724 175.900 -0.350 0.000 1.049 456 Y CA -1.109 56.877 58.100 -0.191 0.000 1.294 456 Y CB 0.135 38.511 38.460 -0.141 0.000 1.179 456 Y HN 0.446 nan 8.280 nan 0.000 0.520 457 Y N 4.600 124.343 120.300 -0.928 0.000 2.881 457 Y HA 0.289 4.829 4.550 -0.017 0.000 0.335 457 Y C 1.051 176.690 175.900 -0.436 0.000 1.263 457 Y CA 0.028 57.705 58.100 -0.705 0.000 1.572 457 Y CB -0.106 38.176 38.460 -0.297 0.000 1.237 457 Y HN 0.931 nan 8.280 nan 0.000 0.568 458 G N 2.933 111.610 108.800 -0.206 0.000 2.258 458 G HA2 -0.337 3.613 3.960 -0.017 0.000 0.233 458 G HA3 -0.337 3.613 3.960 -0.017 0.000 0.233 458 G C 0.761 175.599 174.900 -0.104 0.000 1.006 458 G CA 0.283 45.246 45.100 -0.229 0.000 0.620 458 G HN 0.602 nan 8.290 nan 0.000 0.511 459 D N 1.234 121.600 120.400 -0.057 0.000 2.219 459 D HA -0.013 4.617 4.640 -0.017 0.000 0.205 459 D C 2.455 178.936 176.300 0.302 0.000 0.970 459 D CA 1.341 55.423 54.000 0.136 0.000 0.851 459 D CB -0.096 40.820 40.800 0.193 0.000 0.943 459 D HN 0.722 nan 8.370 nan 0.000 0.488 460 E N 1.241 121.574 120.200 0.222 0.000 2.347 460 E HA -0.131 4.209 4.350 -0.017 0.000 0.196 460 E C 1.732 178.397 176.600 0.108 0.000 1.008 460 E CA 0.539 56.978 56.400 0.065 0.000 0.852 460 E CB -0.367 29.328 29.700 -0.009 0.000 0.783 460 E HN 0.488 nan 8.360 nan 0.000 0.505 461 I N -3.878 116.777 120.570 0.142 0.000 3.936 461 I HA 0.544 4.704 4.170 -0.017 0.000 0.330 461 I C 0.846 177.005 176.117 0.069 0.000 1.509 461 I CA -0.085 61.294 61.300 0.133 0.000 1.126 461 I CB 0.585 38.662 38.000 0.128 0.000 1.115 461 I HN 0.010 nan 8.210 nan 0.000 0.424 462 G N 2.278 111.121 108.800 0.072 0.000 2.225 462 G HA2 -0.253 3.696 3.960 -0.017 0.000 0.264 462 G HA3 -0.253 3.696 3.960 -0.017 0.000 0.264 462 G C 0.050 174.944 174.900 -0.010 0.000 1.060 462 G CA 0.061 45.184 45.100 0.038 0.000 0.833 462 G HN 0.448 nan 8.290 nan 0.000 0.498 463 M N 0.748 120.322 119.600 -0.043 0.000 2.245 463 M HA 0.415 4.884 4.480 -0.017 0.000 0.330 463 M C 1.297 177.556 176.300 -0.069 0.000 1.098 463 M CA 1.054 56.302 55.300 -0.086 0.000 1.172 463 M CB 0.620 33.124 32.600 -0.160 0.000 1.467 463 M HN 0.546 nan 8.290 nan 0.000 0.454 464 T N -0.851 113.661 114.554 -0.070 0.000 2.927 464 T HA 0.944 5.284 4.350 -0.017 0.000 0.286 464 T C -0.157 174.507 174.700 -0.060 0.000 1.040 464 T CA -0.410 61.656 62.100 -0.057 0.000 1.010 464 T CB 2.052 70.892 68.868 -0.047 0.000 1.177 464 T HN 1.040 nan 8.240 nan 0.000 0.546 465 G N -1.130 107.641 108.800 -0.049 0.000 2.306 465 G HA2 0.475 4.425 3.960 -0.017 0.000 0.340 465 G HA3 0.475 4.425 3.960 -0.017 0.000 0.340 465 G C -0.125 174.751 174.900 -0.041 0.000 1.630 465 G CA -0.245 44.828 45.100 -0.045 0.000 0.937 465 G HN 1.053 nan 8.290 nan 0.000 0.693 466 G N 0.299 109.076 108.800 -0.038 0.000 2.514 466 G HA2 0.455 4.405 3.960 -0.017 0.000 0.245 466 G HA3 0.455 4.405 3.960 -0.017 0.000 0.245 466 G C 0.518 175.392 174.900 -0.043 0.000 1.488 466 G CA -0.096 44.981 45.100 -0.038 0.000 1.063 466 G HN 0.759 nan 8.290 nan 0.000 0.557 467 N N 0.132 118.806 118.700 -0.043 0.000 2.381 467 N HA 0.057 4.787 4.740 -0.017 0.000 0.254 467 N C -0.003 175.476 175.510 -0.051 0.000 1.264 467 N CA -0.420 52.599 53.050 -0.052 0.000 0.942 467 N CB 0.683 39.142 38.487 -0.048 0.000 1.190 467 N HN 0.403 nan 8.380 nan 0.000 0.495 468 D N 0.575 120.936 120.400 -0.066 0.000 2.877 468 D HA -0.109 4.521 4.640 -0.017 0.000 0.220 468 D C -1.551 174.730 176.300 -0.032 0.000 1.089 468 D CA -0.349 53.615 54.000 -0.060 0.000 0.811 468 D CB 0.603 41.357 40.800 -0.077 0.000 1.162 468 D HN 0.373 nan 8.370 nan 0.000 0.513 469 P HA 0.046 nan 4.420 nan 0.000 0.261 469 P C 0.940 178.230 177.300 -0.016 0.000 1.268 469 P CA 0.103 63.198 63.100 -0.009 0.000 0.833 469 P CB 0.344 32.066 31.700 0.037 0.000 1.231 470 E N 0.509 120.698 120.200 -0.018 0.000 2.209 470 E HA -0.177 4.162 4.350 -0.017 0.000 0.196 470 E C 1.438 178.016 176.600 -0.036 0.000 0.993 470 E CA 1.473 57.858 56.400 -0.025 0.000 0.819 470 E CB -0.246 29.439 29.700 -0.025 0.000 0.745 470 E HN 0.367 nan 8.360 nan 0.000 0.477 471 C N -0.686 118.595 119.300 -0.032 0.000 2.539 471 C HA 0.242 4.692 4.460 -0.017 0.000 0.271 471 C C 1.538 176.558 174.990 0.050 0.000 1.412 471 C CA -0.526 58.492 59.018 -0.000 0.000 1.729 471 C CB -1.016 26.704 27.740 -0.033 0.000 1.739 471 C HN 0.146 nan 8.230 nan 0.000 0.570 472 R N 0.768 121.263 120.500 -0.008 0.000 2.609 472 R HA 0.228 4.558 4.340 -0.017 0.000 0.326 472 R C 0.163 176.464 176.300 0.002 0.000 1.090 472 R CA -0.241 55.867 56.100 0.014 0.000 1.072 472 R CB 0.093 30.288 30.300 -0.174 0.000 1.330 472 R HN 0.566 nan 8.270 nan 0.000 0.572 473 K N 0.639 120.984 120.400 -0.093 0.000 2.397 473 K HA 0.019 4.329 4.320 -0.017 0.000 0.265 473 K C 0.078 176.493 176.600 -0.308 0.000 0.982 473 K CA -0.091 56.040 56.287 -0.259 0.000 0.931 473 K CB 0.522 32.887 32.500 -0.227 0.000 0.943 473 K HN 0.111 nan 8.250 nan 0.000 0.501 474 C N 2.664 121.544 119.300 -0.701 0.000 2.642 474 C HA 0.004 4.454 4.460 -0.017 0.000 0.420 474 C C 0.790 175.522 174.990 -0.430 0.000 1.349 474 C CA -0.703 57.762 59.018 -0.922 0.000 1.821 474 C CB -0.585 25.988 27.740 -1.945 0.000 2.637 474 C HN 0.703 nan 8.230 nan 0.000 0.605 475 M N 4.140 123.669 119.600 -0.118 0.000 2.261 475 M HA 0.111 4.581 4.480 -0.017 0.000 0.350 475 M C -0.350 175.733 176.300 -0.362 0.000 1.343 475 M CA 0.453 55.636 55.300 -0.195 0.000 1.003 475 M CB 0.212 32.545 32.600 -0.445 0.000 1.848 475 M HN 0.497 nan 8.290 nan 0.000 0.456 476 V N 8.295 127.952 119.914 -0.428 0.000 2.405 476 V HA 0.017 4.127 4.120 -0.017 0.000 0.264 476 V C 0.174 176.002 176.094 -0.444 0.000 1.048 476 V CA 0.286 62.413 62.300 -0.288 0.000 0.966 476 V CB -0.174 31.539 31.823 -0.183 0.000 1.015 476 V HN 1.057 nan 8.190 nan 0.000 0.477 477 W N 1.188 122.462 121.300 -0.044 0.000 3.107 477 W HA 0.193 4.842 4.660 -0.017 0.000 0.293 477 W C 0.910 177.380 176.519 -0.082 0.000 1.239 477 W CA -0.558 56.691 57.345 -0.160 0.000 1.653 477 W CB 0.473 29.800 29.460 -0.222 0.000 1.068 477 W HN 0.529 nan 8.180 nan 0.000 0.615 478 D N 0.875 121.374 120.400 0.165 0.000 2.346 478 D HA 0.030 4.660 4.640 -0.017 0.000 0.260 478 D C -1.532 174.812 176.300 0.074 0.000 1.252 478 D CA -1.502 52.564 54.000 0.110 0.000 0.895 478 D CB 1.342 42.195 40.800 0.089 0.000 1.097 478 D HN -0.162 nan 8.370 nan 0.000 0.489 479 P HA -0.188 nan 4.420 nan 0.000 0.217 479 P C 1.316 178.637 177.300 0.035 0.000 1.151 479 P CA 1.458 64.589 63.100 0.052 0.000 0.849 479 P CB 0.060 31.787 31.700 0.045 0.000 0.787 480 M N -1.722 117.898 119.600 0.034 0.000 2.619 480 M HA -0.066 4.404 4.480 -0.017 0.000 0.251 480 M C 1.251 177.565 176.300 0.023 0.000 1.106 480 M CA 1.099 56.415 55.300 0.026 0.000 1.086 480 M CB -0.197 32.418 32.600 0.025 0.000 1.465 480 M HN -0.041 nan 8.290 nan 0.000 0.506 481 Q N -0.225 119.589 119.800 0.023 0.000 2.350 481 Q HA 0.190 4.520 4.340 -0.017 0.000 0.225 481 Q C 0.180 176.183 176.000 0.005 0.000 0.878 481 Q CA 0.394 56.204 55.803 0.012 0.000 0.935 481 Q CB 0.388 29.132 28.738 0.010 0.000 1.099 481 Q HN 0.570 nan 8.270 nan 0.000 0.527 482 Q N 1.271 121.080 119.800 0.015 0.000 2.299 482 Q HA 0.181 4.511 4.340 -0.017 0.000 0.246 482 Q C 0.064 176.089 176.000 0.042 0.000 0.935 482 Q CA -0.320 55.498 55.803 0.026 0.000 0.887 482 Q CB 0.748 29.514 28.738 0.048 0.000 1.223 482 Q HN -0.041 nan 8.270 nan 0.000 0.439 483 N N 2.151 120.886 118.700 0.057 0.000 2.439 483 N HA 0.009 4.739 4.740 -0.017 0.000 0.243 483 N C 0.146 175.711 175.510 0.091 0.000 1.088 483 N CA 0.136 53.222 53.050 0.060 0.000 0.940 483 N CB 0.653 39.172 38.487 0.054 0.000 1.180 483 N HN 0.516 nan 8.380 nan 0.000 0.505 484 K N 2.368 122.811 120.400 0.071 0.000 2.097 484 K HA -0.184 4.126 4.320 -0.017 0.000 0.206 484 K C 1.373 178.036 176.600 0.104 0.000 1.049 484 K CA 1.060 57.395 56.287 0.079 0.000 0.933 484 K CB 0.194 32.718 32.500 0.041 0.000 0.717 484 K HN 0.632 nan 8.250 nan 0.000 0.442 485 E N 1.355 121.603 120.200 0.079 0.000 2.070 485 E HA -0.215 4.124 4.350 -0.017 0.000 0.197 485 E C 2.024 178.688 176.600 0.106 0.000 1.004 485 E CA 1.082 57.529 56.400 0.079 0.000 0.805 485 E CB -0.001 29.726 29.700 0.044 0.000 0.744 485 E HN 0.226 nan 8.360 nan 0.000 0.451 486 L N 0.340 121.621 121.223 0.096 0.000 2.005 486 L HA -0.214 4.115 4.340 -0.017 0.000 0.207 486 L C 2.916 179.837 176.870 0.086 0.000 1.072 486 L CA 1.480 56.377 54.840 0.095 0.000 0.744 486 L CB -0.778 41.338 42.059 0.095 0.000 0.895 486 L HN 0.394 nan 8.230 nan 0.000 0.433 487 H N 0.716 119.800 119.070 0.025 0.000 2.289 487 H HA -0.227 4.319 4.556 -0.017 0.000 0.296 487 H C 2.153 177.476 175.328 -0.008 0.000 1.091 487 H CA 2.221 58.275 56.048 0.009 0.000 1.274 487 H CB 0.033 29.836 29.762 0.069 0.000 1.364 487 H HN 0.446 nan 8.280 nan 0.000 0.490 488 Q N -1.129 118.829 119.800 0.264 0.000 2.167 488 Q HA -0.164 4.166 4.340 -0.017 0.000 0.202 488 Q C 2.302 178.362 176.000 0.100 0.000 0.970 488 Q CA 1.354 57.265 55.803 0.182 0.000 0.855 488 Q CB -0.173 28.653 28.738 0.148 0.000 0.911 488 Q HN 0.591 nan 8.270 nan 0.000 0.438 489 H N 0.570 119.640 119.070 0.001 0.000 2.270 489 H HA -0.108 4.437 4.556 -0.017 0.000 0.299 489 H C 1.891 177.146 175.328 -0.122 0.000 1.077 489 H CA 1.842 57.877 56.048 -0.022 0.000 1.294 489 H CB -0.183 29.573 29.762 -0.009 0.000 1.371 489 H HN -0.014 nan 8.280 nan 0.000 0.491 490 V N 1.012 120.760 119.914 -0.275 0.000 2.332 490 V HA -0.261 3.848 4.120 -0.017 0.000 0.248 490 V C 2.550 178.448 176.094 -0.325 0.000 1.055 490 V CA 2.274 64.286 62.300 -0.480 0.000 1.038 490 V CB -0.631 30.788 31.823 -0.673 0.000 0.651 490 V HN 0.441 nan 8.190 nan 0.000 0.450 491 K N -0.045 120.200 120.400 -0.257 0.000 2.057 491 K HA -0.283 4.027 4.320 -0.017 0.000 0.207 491 K C 2.333 178.864 176.600 -0.115 0.000 1.049 491 K CA 2.046 58.227 56.287 -0.178 0.000 0.931 491 K CB -0.158 32.282 32.500 -0.101 0.000 0.714 491 K HN 0.578 nan 8.250 nan 0.000 0.440 492 Q N 0.675 120.416 119.800 -0.099 0.000 2.020 492 Q HA -0.179 4.151 4.340 -0.017 0.000 0.202 492 Q C 2.173 178.116 176.000 -0.095 0.000 0.982 492 Q CA 1.738 57.500 55.803 -0.067 0.000 0.838 492 Q CB -0.128 28.588 28.738 -0.037 0.000 0.899 492 Q HN 0.376 nan 8.270 nan 0.000 0.423 493 L N 0.316 121.428 121.223 -0.185 0.000 2.012 493 L HA -0.217 4.113 4.340 -0.017 0.000 0.210 493 L C 2.504 179.322 176.870 -0.087 0.000 1.073 493 L CA 1.106 55.850 54.840 -0.159 0.000 0.748 493 L CB -0.449 41.457 42.059 -0.254 0.000 0.891 493 L HN 0.354 nan 8.230 nan 0.000 0.431 494 I N -0.113 120.396 120.570 -0.101 0.000 2.264 494 I HA -0.294 3.866 4.170 -0.017 0.000 0.248 494 I C 2.765 178.861 176.117 -0.035 0.000 1.111 494 I CA 1.177 62.438 61.300 -0.064 0.000 1.382 494 I CB -0.471 37.479 38.000 -0.083 0.000 1.060 494 I HN 0.221 nan 8.210 nan 0.000 0.418 495 A N 0.708 123.507 122.820 -0.035 0.000 1.930 495 A HA -0.109 4.201 4.320 -0.017 0.000 0.217 495 A C 2.317 179.923 177.584 0.037 0.000 1.175 495 A CA 1.169 53.202 52.037 -0.006 0.000 0.627 495 A CB -0.623 18.373 19.000 -0.006 0.000 0.815 495 A HN 0.360 nan 8.150 nan 0.000 0.443 496 L N -1.140 120.111 121.223 0.047 0.000 2.027 496 L HA -0.148 4.182 4.340 -0.017 0.000 0.206 496 L C 2.799 179.764 176.870 0.158 0.000 1.074 496 L CA 1.588 56.503 54.840 0.125 0.000 0.745 496 L CB -0.445 41.641 42.059 0.046 0.000 0.898 496 L HN 0.467 nan 8.230 nan 0.000 0.433 497 R N 0.676 121.219 120.500 0.070 0.000 2.117 497 R HA -0.253 4.076 4.340 -0.017 0.000 0.243 497 R C 2.293 178.629 176.300 0.060 0.000 1.143 497 R CA 1.840 57.977 56.100 0.062 0.000 0.968 497 R CB -0.095 30.217 30.300 0.021 0.000 0.863 497 R HN 0.232 nan 8.270 nan 0.000 0.444 498 K N 0.072 120.494 120.400 0.037 0.000 2.097 498 K HA -0.151 4.159 4.320 -0.017 0.000 0.205 498 K C 2.033 178.632 176.600 -0.003 0.000 1.050 498 K CA 1.472 57.764 56.287 0.008 0.000 0.938 498 K CB 0.127 32.622 32.500 -0.010 0.000 0.718 498 K HN 0.330 nan 8.250 nan 0.000 0.442 499 Q N -0.877 118.935 119.800 0.020 0.000 2.096 499 Q HA -0.080 4.250 4.340 -0.017 0.000 0.197 499 Q C -0.195 175.645 176.000 -0.266 0.000 0.964 499 Q CA 0.925 56.659 55.803 -0.114 0.000 0.838 499 Q CB 0.175 28.852 28.738 -0.102 0.000 0.906 499 Q HN 0.224 nan 8.270 nan 0.000 0.444 500 Y N 0.326 120.621 120.300 -0.008 0.000 2.434 500 Y HA 0.228 4.767 4.550 -0.018 0.000 0.341 500 Y C 0.992 176.885 175.900 -0.012 0.000 0.965 500 Y CA -0.641 57.455 58.100 -0.006 0.000 1.205 500 Y CB 0.607 39.066 38.460 -0.001 0.000 1.121 500 Y HN -0.035 nan 8.280 nan 0.000 0.507 501 R N 1.036 121.568 120.500 0.055 0.000 2.127 501 R HA -0.191 4.139 4.340 -0.017 0.000 0.238 501 R C 1.909 178.231 176.300 0.037 0.000 1.134 501 R CA 1.917 58.034 56.100 0.029 0.000 0.975 501 R CB 0.018 30.318 30.300 0.001 0.000 0.865 501 R HN 0.766 nan 8.270 nan 0.000 0.447 502 S N 0.005 115.744 115.700 0.065 0.000 2.474 502 S HA -0.079 4.381 4.470 -0.017 0.000 0.235 502 S C 1.904 176.513 174.600 0.016 0.000 0.997 502 S CA 0.760 58.980 58.200 0.034 0.000 0.949 502 S CB -0.232 62.999 63.200 0.052 0.000 0.766 502 S HN 0.353 nan 8.310 nan 0.000 0.517 503 L N 1.169 122.421 121.223 0.047 0.000 2.240 503 L HA 0.078 4.408 4.340 -0.017 0.000 0.211 503 L C 2.856 179.719 176.870 -0.012 0.000 1.106 503 L CA 1.059 55.914 54.840 0.024 0.000 0.793 503 L CB -0.329 41.764 42.059 0.056 0.000 0.927 503 L HN 0.488 nan 8.230 nan 0.000 0.446 504 R N -0.512 119.981 120.500 -0.011 0.000 2.307 504 R HA 0.145 4.475 4.340 -0.017 0.000 0.200 504 R C 1.373 177.638 176.300 -0.058 0.000 0.893 504 R CA 0.004 56.084 56.100 -0.034 0.000 1.042 504 R CB 0.204 30.494 30.300 -0.018 0.000 1.059 504 R HN 0.215 nan 8.270 nan 0.000 0.530 505 R N 0.830 121.300 120.500 -0.051 0.000 2.541 505 R HA 0.223 4.553 4.340 -0.017 0.000 0.332 505 R C 0.457 176.720 176.300 -0.062 0.000 0.951 505 R CA 0.137 56.207 56.100 -0.050 0.000 1.136 505 R CB 1.674 31.965 30.300 -0.015 0.000 1.449 505 R HN 0.137 nan 8.270 nan 0.000 0.531 506 G N 1.081 109.834 108.800 -0.077 0.000 2.563 506 G HA2 0.120 4.070 3.960 -0.017 0.000 0.283 506 G HA3 0.120 4.070 3.960 -0.017 0.000 0.283 506 G C -0.823 173.993 174.900 -0.139 0.000 1.309 506 G CA -0.348 44.701 45.100 -0.085 0.000 1.022 506 G HN 0.093 nan 8.290 nan 0.000 0.501 507 E N -1.217 118.907 120.200 -0.128 0.000 2.266 507 E HA 0.447 4.787 4.350 -0.017 0.000 0.277 507 E C -0.743 175.776 176.600 -0.135 0.000 1.018 507 E CA -0.614 55.693 56.400 -0.156 0.000 0.840 507 E CB 1.299 30.909 29.700 -0.149 0.000 1.082 507 E HN 0.331 nan 8.360 nan 0.000 0.395 508 I N 3.266 123.742 120.570 -0.157 0.000 2.441 508 I HA 0.380 4.540 4.170 -0.017 0.000 0.295 508 I C -1.216 174.858 176.117 -0.072 0.000 0.994 508 I CA -0.309 60.907 61.300 -0.140 0.000 1.144 508 I CB 1.275 39.138 38.000 -0.228 0.000 1.314 508 I HN 0.654 nan 8.210 nan 0.000 0.445 509 S N 5.738 121.393 115.700 -0.076 0.000 2.540 509 S HA 0.605 5.065 4.470 -0.017 0.000 0.275 509 S C -1.102 173.503 174.600 0.010 0.000 1.123 509 S CA -0.695 57.536 58.200 0.052 0.000 0.907 509 S CB 1.306 64.547 63.200 0.069 0.000 1.081 509 S HN 0.396 nan 8.310 nan 0.000 0.476 510 F N 1.668 121.742 119.950 0.206 0.000 2.421 510 F HA 0.548 5.064 4.527 -0.018 0.000 0.337 510 F C 0.092 176.046 175.800 0.256 0.000 1.105 510 F CA -0.976 57.181 58.000 0.262 0.000 1.049 510 F CB 1.235 40.367 39.000 0.220 0.000 1.139 510 F HN 0.411 nan 8.300 nan 0.000 0.479 511 L N 3.809 125.275 121.223 0.406 0.000 2.282 511 L HA 0.378 4.708 4.340 -0.017 0.000 0.288 511 L C -0.080 177.032 176.870 0.402 0.000 1.033 511 L CA -0.706 54.319 54.840 0.308 0.000 0.807 511 L CB 0.834 43.016 42.059 0.204 0.000 1.209 511 L HN 0.612 nan 8.230 nan 0.000 0.423 512 H N 2.417 121.578 119.070 0.152 0.000 2.899 512 H HA 0.360 4.907 4.556 -0.016 0.000 0.303 512 H C 0.006 175.410 175.328 0.126 0.000 1.042 512 H CA -0.636 55.486 56.048 0.125 0.000 1.479 512 H CB 1.102 30.913 29.762 0.081 0.000 1.493 512 H HN 0.736 nan 8.280 nan 0.000 0.534 513 A N 4.089 127.059 122.820 0.250 0.000 2.320 513 A HA 0.194 4.504 4.320 -0.017 0.000 0.334 513 A C -0.165 177.522 177.584 0.171 0.000 1.147 513 A CA -1.035 51.136 52.037 0.224 0.000 0.820 513 A CB 0.819 19.991 19.000 0.286 0.000 1.218 513 A HN 0.694 nan 8.150 nan 0.000 0.482 514 D N 0.565 121.064 120.400 0.165 0.000 2.423 514 D HA 0.218 4.847 4.640 -0.017 0.000 0.238 514 D C -0.141 176.183 176.300 0.041 0.000 1.142 514 D CA 1.496 55.558 54.000 0.104 0.000 0.884 514 D CB 0.571 41.438 40.800 0.111 0.000 1.199 514 D HN 0.737 nan 8.370 nan 0.000 0.438 515 D N 0.855 121.227 120.400 -0.048 0.000 2.746 515 D HA -0.215 4.415 4.640 -0.017 0.000 0.241 515 D C -0.020 176.145 176.300 -0.224 0.000 1.140 515 D CA 0.472 54.358 54.000 -0.190 0.000 0.707 515 D CB -1.031 39.548 40.800 -0.368 0.000 1.034 515 D HN 0.463 nan 8.370 nan 0.000 0.423 516 E N 0.519 120.656 120.200 -0.104 0.000 2.888 516 E HA 0.033 4.373 4.350 -0.017 0.000 0.271 516 E C 1.130 177.675 176.600 -0.092 0.000 1.527 516 E CA 0.076 56.430 56.400 -0.075 0.000 1.700 516 E CB 0.079 29.730 29.700 -0.082 0.000 1.410 516 E HN 0.555 nan 8.360 nan 0.000 0.445 517 M N 0.122 119.641 119.600 -0.136 0.000 2.838 517 M HA 0.195 4.664 4.480 -0.017 0.000 0.251 517 M C 0.616 176.898 176.300 -0.029 0.000 1.393 517 M CA 1.013 56.258 55.300 -0.092 0.000 1.196 517 M CB 0.650 33.172 32.600 -0.131 0.000 1.276 517 M HN 0.045 nan 8.290 nan 0.000 0.541 518 N N -1.582 117.049 118.700 -0.116 0.000 2.297 518 N HA 0.142 4.871 4.740 -0.017 0.000 0.208 518 N C -0.730 174.957 175.510 0.295 0.000 1.176 518 N CA 0.103 53.175 53.050 0.038 0.000 0.882 518 N CB 0.350 38.808 38.487 -0.048 0.000 1.134 518 N HN 0.349 nan 8.380 nan 0.000 0.489 519 Y N 1.576 121.956 120.300 0.132 0.000 2.436 519 Y HA 0.311 4.850 4.550 -0.017 0.000 0.343 519 Y C 0.039 176.066 175.900 0.211 0.000 1.008 519 Y CA -0.998 57.198 58.100 0.161 0.000 1.241 519 Y CB 0.899 39.430 38.460 0.119 0.000 1.153 519 Y HN -0.105 nan 8.280 nan 0.000 0.521 520 L N 6.362 127.857 121.223 0.453 0.000 2.287 520 L HA 0.578 4.908 4.340 -0.017 0.000 0.287 520 L C -1.024 176.121 176.870 0.459 0.000 1.022 520 L CA -0.532 54.569 54.840 0.433 0.000 0.814 520 L CB 0.671 43.019 42.059 0.481 0.000 1.217 520 L HN 0.488 nan 8.230 nan 0.000 0.420 521 I N 6.649 127.487 120.570 0.448 0.000 2.466 521 I HA 0.461 4.621 4.170 -0.017 0.000 0.289 521 I C -1.197 175.161 176.117 0.401 0.000 1.026 521 I CA -0.716 60.788 61.300 0.339 0.000 1.078 521 I CB 1.544 39.700 38.000 0.262 0.000 1.249 521 I HN 0.689 nan 8.210 nan 0.000 0.429 522 Y N 4.770 125.164 120.300 0.157 0.000 2.638 522 Y HA 0.759 5.299 4.550 -0.018 0.000 0.335 522 Y C -1.496 174.393 175.900 -0.019 0.000 1.155 522 Y CA -1.381 56.700 58.100 -0.031 0.000 1.046 522 Y CB 1.434 39.707 38.460 -0.313 0.000 1.303 522 Y HN 0.540 nan 8.280 nan 0.000 0.460 523 K N 0.921 121.375 120.400 0.090 0.000 2.482 523 K HA 0.697 5.007 4.320 -0.017 0.000 0.257 523 K C -1.714 174.921 176.600 0.059 0.000 0.969 523 K CA -1.246 55.057 56.287 0.027 0.000 0.842 523 K CB 2.543 35.057 32.500 0.023 0.000 1.359 523 K HN 0.479 nan 8.250 nan 0.000 0.441 524 K N 1.336 121.755 120.400 0.031 0.000 2.345 524 K HA 0.425 4.735 4.320 -0.017 0.000 0.255 524 K C -1.250 175.351 176.600 0.001 0.000 0.934 524 K CA -0.653 55.637 56.287 0.005 0.000 0.801 524 K CB 1.975 34.482 32.500 0.011 0.000 1.137 524 K HN 0.834 nan 8.250 nan 0.000 0.424 525 T N 0.889 115.432 114.554 -0.018 0.000 2.952 525 T HA 0.221 4.561 4.350 -0.017 0.000 0.305 525 T C -0.746 173.938 174.700 -0.028 0.000 1.064 525 T CA -0.634 61.461 62.100 -0.008 0.000 1.008 525 T CB 0.824 69.690 68.868 -0.004 0.000 1.078 525 T HN 0.628 nan 8.240 nan 0.000 0.459 526 D N 2.165 122.556 120.400 -0.014 0.000 2.440 526 D HA 0.300 4.930 4.640 -0.017 0.000 0.216 526 D C 1.426 177.714 176.300 -0.019 0.000 1.150 526 D CA 0.594 54.581 54.000 -0.021 0.000 0.832 526 D CB -0.036 40.759 40.800 -0.008 0.000 0.992 526 D HN 1.027 nan 8.370 nan 0.000 0.502 527 G N 0.696 109.484 108.800 -0.019 0.000 2.284 527 G HA2 -0.316 3.634 3.960 -0.017 0.000 0.230 527 G HA3 -0.316 3.634 3.960 -0.017 0.000 0.230 527 G C 0.835 175.724 174.900 -0.017 0.000 1.021 527 G CA 0.397 45.483 45.100 -0.022 0.000 0.619 527 G HN 0.362 nan 8.290 nan 0.000 0.510 528 D N 1.022 121.416 120.400 -0.009 0.000 2.369 528 D HA 0.226 4.856 4.640 -0.017 0.000 0.231 528 D C 1.352 177.654 176.300 0.004 0.000 0.967 528 D CA 1.410 55.404 54.000 -0.010 0.000 0.905 528 D CB 0.181 40.976 40.800 -0.009 0.000 1.044 528 D HN 0.820 nan 8.370 nan 0.000 0.487 529 E N -0.619 119.596 120.200 0.026 0.000 2.299 529 E HA 0.660 5.000 4.350 -0.017 0.000 0.265 529 E C -1.027 175.612 176.600 0.064 0.000 0.911 529 E CA -0.834 55.602 56.400 0.059 0.000 0.789 529 E CB 1.973 31.735 29.700 0.103 0.000 1.246 529 E HN -0.298 nan 8.360 nan 0.000 0.427 530 T N 0.984 115.583 114.554 0.076 0.000 2.928 530 T HA 0.380 4.720 4.350 -0.017 0.000 0.296 530 T C -1.060 173.667 174.700 0.045 0.000 1.000 530 T CA -0.649 61.488 62.100 0.061 0.000 0.989 530 T CB 1.406 70.324 68.868 0.083 0.000 1.005 530 T HN 0.335 nan 8.240 nan 0.000 0.442 531 V N 4.220 124.145 119.914 0.018 0.000 2.409 531 V HA 0.538 4.648 4.120 -0.017 0.000 0.291 531 V C -0.613 175.457 176.094 -0.039 0.000 1.020 531 V CA -0.885 61.396 62.300 -0.031 0.000 0.848 531 V CB 1.625 33.399 31.823 -0.081 0.000 0.990 531 V HN 0.710 nan 8.190 nan 0.000 0.430 532 L N 6.931 128.144 121.223 -0.017 0.000 2.282 532 L HA 0.717 5.047 4.340 -0.017 0.000 0.288 532 L C -0.483 176.321 176.870 -0.111 0.000 1.033 532 L CA 0.136 54.962 54.840 -0.023 0.000 0.807 532 L CB 1.640 43.758 42.059 0.097 0.000 1.209 532 L HN 0.441 nan 8.230 nan 0.000 0.423 533 V N 6.818 126.543 119.914 -0.315 0.000 2.448 533 V HA 0.510 4.620 4.120 -0.017 0.000 0.295 533 V C -0.066 175.888 176.094 -0.234 0.000 1.025 533 V CA -0.437 61.627 62.300 -0.393 0.000 0.859 533 V CB 1.626 32.941 31.823 -0.846 0.000 0.988 533 V HN 0.615 nan 8.190 nan 0.000 0.431 534 I N 5.897 126.445 120.570 -0.037 0.000 2.418 534 I HA 0.540 4.699 4.170 -0.017 0.000 0.287 534 I C -0.778 175.452 176.117 0.189 0.000 1.008 534 I CA -0.321 61.033 61.300 0.090 0.000 1.104 534 I CB 1.867 39.922 38.000 0.092 0.000 1.264 534 I HN 0.424 nan 8.210 nan 0.000 0.438 535 I N 5.371 126.114 120.570 0.288 0.000 2.466 535 I HA 0.250 4.409 4.170 -0.017 0.000 0.289 535 I C -0.385 175.923 176.117 0.318 0.000 1.026 535 I CA -0.599 60.926 61.300 0.375 0.000 1.078 535 I CB 1.997 40.325 38.000 0.547 0.000 1.249 535 I HN 0.489 nan 8.210 nan 0.000 0.429 536 N N 6.262 125.100 118.700 0.231 0.000 2.801 536 N HA 0.113 4.843 4.740 -0.017 0.000 0.235 536 N C -0.124 175.439 175.510 0.088 0.000 1.069 536 N CA -0.346 52.788 53.050 0.140 0.000 0.946 536 N CB 0.476 38.958 38.487 -0.009 0.000 1.212 536 N HN 0.429 nan 8.380 nan 0.000 0.509 537 R N 2.553 123.138 120.500 0.143 0.000 4.164 537 R HA 0.131 4.460 4.340 -0.017 0.000 0.195 537 R C -0.827 175.301 176.300 -0.286 0.000 1.712 537 R CA 0.078 56.151 56.100 -0.044 0.000 1.457 537 R CB -0.713 29.504 30.300 -0.138 0.000 1.387 537 R HN 0.687 nan 8.270 nan 0.000 0.785 538 S N -0.989 114.326 115.700 -0.642 0.000 2.596 538 S HA 0.123 4.583 4.470 -0.017 0.000 0.270 538 S C -0.045 174.038 174.600 -0.862 0.000 1.155 538 S CA -0.956 56.920 58.200 -0.540 0.000 0.827 538 S CB 1.691 64.801 63.200 -0.150 0.000 1.130 538 S HN 0.217 nan 8.310 nan 0.000 0.467 539 D N 0.200 120.383 120.400 -0.362 0.000 2.355 539 D HA 0.146 4.776 4.640 -0.017 0.000 0.218 539 D C 0.149 176.414 176.300 -0.059 0.000 1.004 539 D CA 0.888 54.828 54.000 -0.099 0.000 0.880 539 D CB 0.213 41.055 40.800 0.069 0.000 0.911 539 D HN 0.425 nan 8.370 nan 0.000 0.528 540 Q N 0.282 120.032 119.800 -0.083 0.000 2.240 540 Q HA 0.251 4.581 4.340 -0.017 0.000 0.260 540 Q C 0.082 176.062 176.000 -0.033 0.000 1.018 540 Q CA -0.705 55.081 55.803 -0.029 0.000 0.898 540 Q CB 1.282 30.018 28.738 -0.003 0.000 1.301 540 Q HN 0.209 nan 8.270 nan 0.000 0.469 541 K N -0.635 119.756 120.400 -0.015 0.000 2.202 541 K HA 0.689 4.998 4.320 -0.017 0.000 0.264 541 K C -0.803 175.782 176.600 -0.025 0.000 1.010 541 K CA -0.497 55.775 56.287 -0.025 0.000 0.940 541 K CB 0.737 33.226 32.500 -0.019 0.000 0.983 541 K HN 0.515 nan 8.250 nan 0.000 0.475 542 A N 1.908 124.685 122.820 -0.071 0.000 2.515 542 A HA 0.357 4.667 4.320 -0.017 0.000 0.298 542 A C -1.702 175.782 177.584 -0.168 0.000 1.059 542 A CA -0.986 50.975 52.037 -0.126 0.000 0.698 542 A CB 1.625 20.449 19.000 -0.294 0.000 1.289 542 A HN 0.758 nan 8.150 nan 0.000 0.404 543 D N 2.103 122.417 120.400 -0.145 0.000 2.477 543 D HA 0.396 5.026 4.640 -0.017 0.000 0.239 543 D C -0.536 175.671 176.300 -0.154 0.000 1.102 543 D CA 0.308 54.242 54.000 -0.110 0.000 0.901 543 D CB 0.707 41.482 40.800 -0.042 0.000 1.026 543 D HN 0.432 nan 8.370 nan 0.000 0.515 544 I N 3.102 123.538 120.570 -0.223 0.000 2.312 544 I HA 0.203 4.362 4.170 -0.017 0.000 0.291 544 I C -2.128 173.972 176.117 -0.029 0.000 1.031 544 I CA -1.958 59.217 61.300 -0.208 0.000 1.293 544 I CB 1.102 38.927 38.000 -0.292 0.000 1.403 544 I HN -0.112 nan 8.210 nan 0.000 0.484 545 P HA 0.161 nan 4.420 nan 0.000 0.270 545 P C -0.417 176.928 177.300 0.075 0.000 1.242 545 P CA 0.065 63.199 63.100 0.056 0.000 0.768 545 P CB 0.267 32.012 31.700 0.075 0.000 0.820 546 I N 6.687 127.295 120.570 0.065 0.000 2.294 546 I HA 0.140 4.299 4.170 -0.017 0.000 0.295 546 I C -1.521 174.636 176.117 0.066 0.000 1.098 546 I CA -1.992 59.355 61.300 0.078 0.000 1.277 546 I CB 0.450 38.492 38.000 0.070 0.000 1.434 546 I HN 0.152 nan 8.210 nan 0.000 0.498 547 P HA 0.221 nan 4.420 nan 0.000 0.264 547 P C -0.607 176.729 177.300 0.061 0.000 1.537 547 P CA 0.439 63.581 63.100 0.070 0.000 1.189 547 P CB 0.524 32.275 31.700 0.084 0.000 1.687 548 L N 1.154 122.406 121.223 0.049 0.000 2.251 548 L HA 0.473 4.803 4.340 -0.017 0.000 0.244 548 L C 0.242 177.140 176.870 0.047 0.000 1.095 548 L CA -1.082 53.788 54.840 0.051 0.000 0.910 548 L CB 1.719 43.800 42.059 0.038 0.000 1.516 548 L HN 0.098 nan 8.230 nan 0.000 0.429 549 D N -0.467 119.971 120.400 0.063 0.000 2.329 549 D HA 0.486 5.116 4.640 -0.017 0.000 0.246 549 D C 0.195 176.522 176.300 0.046 0.000 1.111 549 D CA 0.310 54.347 54.000 0.062 0.000 0.941 549 D CB 1.773 42.629 40.800 0.094 0.000 1.169 549 D HN 0.590 nan 8.370 nan 0.000 0.441 550 A N 2.385 125.229 122.820 0.040 0.000 3.702 550 A HA 0.253 4.562 4.320 -0.017 0.000 0.175 550 A C 0.454 178.059 177.584 0.035 0.000 1.741 550 A CA 0.158 52.209 52.037 0.023 0.000 0.912 550 A CB -0.563 18.450 19.000 0.020 0.000 1.154 550 A HN 0.594 nan 8.150 nan 0.000 0.420 551 R N -0.370 120.158 120.500 0.046 0.000 2.523 551 R HA 0.316 4.646 4.340 -0.017 0.000 0.281 551 R C 0.986 177.365 176.300 0.131 0.000 0.969 551 R CA 1.674 57.820 56.100 0.076 0.000 1.093 551 R CB -0.412 29.932 30.300 0.074 0.000 0.917 551 R HN 1.604 nan 8.270 nan 0.000 0.408 552 G N 2.005 110.927 108.800 0.204 0.000 2.259 552 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.217 552 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.217 552 G C -0.080 175.061 174.900 0.402 0.000 1.001 552 G CA 0.145 45.433 45.100 0.314 0.000 0.627 552 G HN 0.696 nan 8.290 nan 0.000 0.501 553 T N 1.126 115.815 114.554 0.224 0.000 2.780 553 T HA 0.512 4.852 4.350 -0.017 0.000 0.294 553 T C -0.730 173.986 174.700 0.027 0.000 0.949 553 T CA 0.143 62.321 62.100 0.130 0.000 1.074 553 T CB 0.929 69.807 68.868 0.017 0.000 0.910 553 T HN 0.289 nan 8.240 nan 0.000 0.501 554 W N 2.948 124.237 121.300 -0.017 0.000 2.736 554 W HA 0.678 5.327 4.660 -0.018 0.000 0.335 554 W C -0.847 175.546 176.519 -0.209 0.000 1.059 554 W CA -0.846 56.459 57.345 -0.068 0.000 1.226 554 W CB 1.116 30.605 29.460 0.048 0.000 1.416 554 W HN 0.393 nan 8.180 nan 0.000 0.505 555 L N 3.118 124.158 121.223 -0.305 0.000 2.354 555 L HA 0.787 5.117 4.340 -0.017 0.000 0.269 555 L C -0.712 175.869 176.870 -0.482 0.000 1.005 555 L CA -1.366 53.168 54.840 -0.510 0.000 0.819 555 L CB 1.792 43.245 42.059 -1.010 0.000 1.311 555 L HN -0.031 nan 8.230 nan 0.000 0.423 556 V N 1.587 121.399 119.914 -0.171 0.000 2.483 556 V HA 0.283 4.393 4.120 -0.017 0.000 0.297 556 V C -0.218 175.945 176.094 0.115 0.000 1.027 556 V CA -0.773 61.512 62.300 -0.026 0.000 0.855 556 V CB 1.729 33.588 31.823 0.061 0.000 0.995 556 V HN 0.717 nan 8.190 nan 0.000 0.424 557 N N 4.360 123.163 118.700 0.173 0.000 2.431 557 N HA 0.182 4.911 4.740 -0.017 0.000 0.265 557 N C 0.970 176.503 175.510 0.038 0.000 1.184 557 N CA 0.029 53.171 53.050 0.152 0.000 0.943 557 N CB 1.267 39.869 38.487 0.193 0.000 1.080 557 N HN 0.687 nan 8.380 nan 0.000 0.477 558 L N 3.645 124.837 121.223 -0.051 0.000 2.083 558 L HA -0.166 4.164 4.340 -0.017 0.000 0.209 558 L C 2.000 178.862 176.870 -0.014 0.000 1.083 558 L CA 0.991 55.787 54.840 -0.073 0.000 0.752 558 L CB -0.130 41.798 42.059 -0.218 0.000 0.899 558 L HN 0.578 nan 8.230 nan 0.000 0.433 559 L N -0.770 120.444 121.223 -0.016 0.000 2.131 559 L HA -0.087 4.243 4.340 -0.017 0.000 0.206 559 L C 2.571 179.456 176.870 0.025 0.000 1.087 559 L CA 1.663 56.510 54.840 0.013 0.000 0.767 559 L CB -0.599 41.467 42.059 0.011 0.000 0.917 559 L HN 0.417 nan 8.230 nan 0.000 0.441 560 T N -4.891 109.680 114.554 0.028 0.000 3.014 560 T HA 0.240 4.580 4.350 -0.017 0.000 0.250 560 T C 1.512 176.250 174.700 0.063 0.000 1.060 560 T CA 0.592 62.718 62.100 0.044 0.000 1.040 560 T CB 0.867 69.763 68.868 0.047 0.000 0.971 560 T HN 0.392 nan 8.240 nan 0.000 0.497 561 G N 1.585 110.429 108.800 0.073 0.000 2.179 561 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.260 561 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.260 561 G C -0.109 174.853 174.900 0.102 0.000 0.977 561 G CA 0.321 45.471 45.100 0.084 0.000 0.641 561 G HN 0.914 nan 8.290 nan 0.000 0.533 562 E N 0.634 120.913 120.200 0.131 0.000 2.415 562 E HA 0.347 4.687 4.350 -0.017 0.000 0.263 562 E C 0.572 177.285 176.600 0.188 0.000 0.995 562 E CA -0.391 56.117 56.400 0.179 0.000 0.915 562 E CB 0.300 30.140 29.700 0.233 0.000 0.951 562 E HN 0.483 nan 8.360 nan 0.000 0.449 563 R N 4.108 124.715 120.500 0.179 0.000 2.532 563 R HA 0.500 4.830 4.340 -0.017 0.000 0.295 563 R C -1.236 175.207 176.300 0.238 0.000 0.968 563 R CA -0.457 55.720 56.100 0.129 0.000 0.916 563 R CB 0.646 31.048 30.300 0.171 0.000 1.124 563 R HN 0.488 nan 8.270 nan 0.000 0.463 564 F N 0.339 120.327 119.950 0.064 0.000 2.703 564 F HA 0.660 5.176 4.527 -0.017 0.000 0.308 564 F C -1.599 173.821 175.800 -0.633 0.000 1.126 564 F CA -1.282 56.603 58.000 -0.192 0.000 0.959 564 F CB 0.796 39.699 39.000 -0.163 0.000 1.297 564 F HN 0.573 nan 8.300 nan 0.000 0.441 565 A N 1.285 123.595 122.820 -0.849 0.000 2.302 565 A HA 0.835 5.145 4.320 -0.017 0.000 0.285 565 A C -0.219 177.083 177.584 -0.470 0.000 1.105 565 A CA -0.359 50.870 52.037 -1.346 0.000 0.816 565 A CB 0.465 18.559 19.000 -1.509 0.000 1.067 565 A HN 1.721 nan 8.150 nan 0.000 0.489 566 A N 1.483 124.054 122.820 -0.414 0.000 2.302 566 A HA 0.459 4.769 4.320 -0.017 0.000 0.295 566 A C 0.948 178.446 177.584 -0.142 0.000 1.235 566 A CA -0.446 51.487 52.037 -0.173 0.000 0.876 566 A CB -0.082 18.840 19.000 -0.130 0.000 1.133 566 A HN 0.876 nan 8.150 nan 0.000 0.533 567 E N 1.778 121.913 120.200 -0.107 0.000 2.002 567 E HA -0.177 4.163 4.350 -0.017 0.000 0.213 567 E C 1.319 177.890 176.600 -0.048 0.000 1.024 567 E CA 2.028 58.380 56.400 -0.079 0.000 0.876 567 E CB -0.210 29.448 29.700 -0.071 0.000 0.799 567 E HN 0.816 nan 8.360 nan 0.000 0.497 568 A N -0.017 122.783 122.820 -0.033 0.000 3.102 568 A HA 0.263 4.572 4.320 -0.017 0.000 0.183 568 A C 0.847 178.427 177.584 -0.006 0.000 0.985 568 A CA -0.281 51.748 52.037 -0.013 0.000 1.237 568 A CB 0.277 19.271 19.000 -0.009 0.000 1.856 568 A HN 0.050 nan 8.150 nan 0.000 0.670 569 E N 1.099 121.299 120.200 0.001 0.000 2.481 569 E HA 0.077 4.417 4.350 -0.017 0.000 0.198 569 E C 0.134 176.738 176.600 0.007 0.000 1.027 569 E CA 0.891 57.296 56.400 0.009 0.000 0.900 569 E CB 0.138 29.846 29.700 0.015 0.000 0.993 569 E HN 0.587 nan 8.360 nan 0.000 0.482 570 T N -0.243 114.309 114.554 -0.004 0.000 3.465 570 T HA 0.311 4.651 4.350 -0.017 0.000 0.323 570 T C 0.083 174.771 174.700 -0.020 0.000 1.774 570 T CA -0.529 61.567 62.100 -0.007 0.000 1.348 570 T CB -0.282 68.579 68.868 -0.011 0.000 1.147 570 T HN -0.177 nan 8.240 nan 0.000 0.778 571 L N 2.182 123.397 121.223 -0.013 0.000 2.314 571 L HA 0.377 4.707 4.340 -0.017 0.000 0.275 571 L C 0.098 176.963 176.870 -0.008 0.000 1.068 571 L CA -0.579 54.247 54.840 -0.023 0.000 0.894 571 L CB 0.104 42.152 42.059 -0.017 0.000 1.275 571 L HN 0.649 nan 8.230 nan 0.000 0.432 572 C N 2.703 121.988 119.300 -0.024 0.000 2.255 572 C HA 0.482 4.932 4.460 -0.017 0.000 0.326 572 C C 1.027 176.002 174.990 -0.025 0.000 1.258 572 C CA -0.225 58.783 59.018 -0.017 0.000 1.676 572 C CB 0.973 28.699 27.740 -0.023 0.000 2.314 572 C HN 0.824 nan 8.230 nan 0.000 0.509 573 T N 4.182 118.737 114.554 0.002 0.000 2.806 573 T HA 0.420 4.759 4.350 -0.017 0.000 0.290 573 T C -0.036 174.644 174.700 -0.033 0.000 0.966 573 T CA -0.074 62.039 62.100 0.021 0.000 1.060 573 T CB 0.400 69.344 68.868 0.128 0.000 0.927 573 T HN 0.744 nan 8.240 nan 0.000 0.485 574 S N 5.183 120.857 115.700 -0.043 0.000 2.457 574 S HA 0.628 5.088 4.470 -0.017 0.000 0.289 574 S C -0.569 173.992 174.600 -0.065 0.000 1.163 574 S CA -0.711 57.451 58.200 -0.063 0.000 1.078 574 S CB 0.396 63.561 63.200 -0.059 0.000 0.987 574 S HN 0.625 nan 8.310 nan 0.000 0.482 575 L N 4.671 125.846 121.223 -0.080 0.000 2.370 575 L HA 0.621 4.950 4.340 -0.017 0.000 0.266 575 L C -2.274 174.560 176.870 -0.059 0.000 1.002 575 L CA -2.404 52.392 54.840 -0.074 0.000 0.818 575 L CB 2.468 44.484 42.059 -0.071 0.000 1.325 575 L HN 0.384 nan 8.230 nan 0.000 0.418 576 P HA 0.301 nan 4.420 nan 0.000 0.279 576 P C -2.759 174.541 177.300 0.001 0.000 1.276 576 P CA -2.104 60.985 63.100 -0.017 0.000 0.801 576 P CB -0.102 31.592 31.700 -0.011 0.000 1.127 577 P HA -0.077 nan 4.420 nan 0.000 0.260 577 P C -0.505 176.866 177.300 0.119 0.000 1.172 577 P CA 0.971 64.076 63.100 0.007 0.000 0.760 577 P CB -0.673 31.080 31.700 0.089 0.000 0.773 578 Y N -0.401 119.947 120.300 0.080 0.000 4.079 578 Y HA -0.237 4.303 4.550 -0.017 0.000 0.223 578 Y C 1.475 177.491 175.900 0.194 0.000 1.155 578 Y CA 1.119 59.291 58.100 0.120 0.000 1.805 578 Y CB -2.190 36.320 38.460 0.083 0.000 1.571 578 Y HN 0.480 nan 8.280 nan 0.000 0.654 579 G N -0.287 108.636 108.800 0.204 0.000 2.580 579 G HA2 0.561 4.511 3.960 -0.017 0.000 0.278 579 G HA3 0.561 4.511 3.960 -0.017 0.000 0.278 579 G C -0.540 174.516 174.900 0.261 0.000 1.212 579 G CA 0.059 45.248 45.100 0.148 0.000 0.939 579 G HN 0.461 nan 8.290 nan 0.000 0.513 580 F N -2.413 117.567 119.950 0.050 0.000 2.779 580 F HA 0.772 5.288 4.527 -0.017 0.000 0.316 580 F C -1.225 174.556 175.800 -0.032 0.000 1.164 580 F CA -1.554 56.471 58.000 0.041 0.000 0.924 580 F CB 1.675 40.734 39.000 0.097 0.000 1.348 580 F HN 0.714 nan 8.300 nan 0.000 0.467 581 V N 1.699 121.620 119.914 0.011 0.000 3.023 581 V HA 0.682 4.792 4.120 -0.017 0.000 0.294 581 V C -2.151 173.766 176.094 -0.294 0.000 1.324 581 V CA -0.683 61.469 62.300 -0.247 0.000 0.979 581 V CB 2.134 33.706 31.823 -0.419 0.000 1.093 581 V HN 0.861 nan 8.190 nan 0.000 0.434 582 L N 6.762 127.783 121.223 -0.337 0.000 2.346 582 L HA 0.696 5.026 4.340 -0.017 0.000 0.276 582 L C -1.025 175.604 176.870 -0.402 0.000 1.006 582 L CA -0.190 54.469 54.840 -0.302 0.000 0.817 582 L CB 1.733 43.698 42.059 -0.158 0.000 1.272 582 L HN 0.607 nan 8.230 nan 0.000 0.421 583 Y N 0.780 121.022 120.300 -0.097 0.000 2.425 583 Y HA 0.756 5.296 4.550 -0.017 0.000 0.344 583 Y C 0.125 175.943 175.900 -0.137 0.000 0.969 583 Y CA -1.252 56.779 58.100 -0.114 0.000 1.052 583 Y CB 2.161 40.563 38.460 -0.096 0.000 1.215 583 Y HN 0.656 nan 8.280 nan 0.000 0.451 584 A N 4.197 127.045 122.820 0.045 0.000 2.309 584 A HA 0.682 4.992 4.320 -0.017 0.000 0.298 584 A C -0.579 177.018 177.584 0.023 0.000 1.165 584 A CA -0.499 51.550 52.037 0.021 0.000 0.821 584 A CB 0.212 19.265 19.000 0.089 0.000 1.102 584 A HN 0.568 nan 8.150 nan 0.000 0.500 585 I N 0.902 121.470 120.570 -0.003 0.000 2.664 585 I HA 0.516 4.675 4.170 -0.017 0.000 0.308 585 I C 0.210 176.242 176.117 -0.140 0.000 0.984 585 I CA -0.311 60.926 61.300 -0.105 0.000 1.213 585 I CB 0.985 38.900 38.000 -0.143 0.000 1.379 585 I HN 0.736 nan 8.210 nan 0.000 0.501 586 E N 2.612 122.658 120.200 -0.258 0.000 2.311 586 E HA 0.414 4.754 4.350 -0.017 0.000 0.281 586 E C -1.629 174.759 176.600 -0.352 0.000 0.905 586 E CA -0.653 55.630 56.400 -0.195 0.000 0.778 586 E CB 2.003 31.928 29.700 0.376 0.000 1.240 586 E HN 0.562 nan 8.360 nan 0.000 0.410 587 H N 1.416 120.319 119.070 -0.278 0.000 2.646 587 H HA 0.478 5.024 4.556 -0.015 0.000 0.328 587 H C -1.107 174.008 175.328 -0.355 0.000 0.998 587 H CA -0.591 55.377 56.048 -0.133 0.000 1.225 587 H CB 0.715 30.418 29.762 -0.099 0.000 1.457 587 H HN 0.350 nan 8.280 nan 0.000 0.505 588 W N 0.000 121.397 121.300 0.162 0.000 2.388 588 W HA 0.000 4.650 4.660 -0.016 0.000 0.303 588 W CA 0.000 57.392 57.345 0.079 0.000 1.226 588 W CB 0.000 29.452 29.460 -0.013 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535