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 1j0k_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 DVYILGQIWH 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 0.000 176.243 176.300 -0.095 0.000 1.140 1 M CA 0.000 55.267 55.300 -0.056 0.000 0.988 1 M CB 0.000 32.548 32.600 -0.086 0.000 1.302 2 R N 2.267 122.721 120.500 -0.077 0.000 2.408 2 R HA 0.272 4.603 4.340 -0.016 0.000 0.308 2 R C 0.492 176.703 176.300 -0.149 0.000 1.210 2 R CA -0.166 55.884 56.100 -0.084 0.000 1.115 2 R CB 0.555 30.843 30.300 -0.021 0.000 1.127 2 R HN 0.690 nan 8.270 nan 0.000 0.523 3 K N 1.563 121.782 120.400 -0.302 0.000 2.044 3 K HA -0.217 4.093 4.320 -0.016 0.000 0.210 3 K C 1.536 178.041 176.600 -0.158 0.000 1.049 3 K CA 1.779 57.742 56.287 -0.539 0.000 0.927 3 K CB 0.209 32.190 32.500 -0.865 0.000 0.713 3 K HN 0.499 nan 8.250 nan 0.000 0.443 4 E N 0.678 120.838 120.200 -0.067 0.000 2.331 4 E HA -0.191 4.149 4.350 -0.016 0.000 0.199 4 E C 1.631 178.268 176.600 0.062 0.000 1.008 4 E CA 1.418 57.834 56.400 0.027 0.000 0.843 4 E CB -0.201 29.511 29.700 0.020 0.000 0.761 4 E HN 0.368 nan 8.360 nan 0.000 0.507 5 A N 1.229 124.091 122.820 0.070 0.000 2.095 5 A HA 0.201 4.512 4.320 -0.016 0.000 0.212 5 A C 1.433 179.077 177.584 0.101 0.000 1.162 5 A CA -0.307 51.834 52.037 0.173 0.000 0.753 5 A CB -0.094 19.053 19.000 0.245 0.000 0.840 5 A HN 0.124 nan 8.150 nan 0.000 0.468 6 I N 0.192 120.783 120.570 0.035 0.000 2.618 6 I HA 0.191 4.352 4.170 -0.016 0.000 0.284 6 I C -0.247 175.834 176.117 -0.060 0.000 1.146 6 I CA 0.391 61.659 61.300 -0.054 0.000 1.425 6 I CB 0.252 38.184 38.000 -0.114 0.000 1.383 6 I HN 0.350 nan 8.210 nan 0.000 0.562 7 Y N 6.087 126.279 120.300 -0.181 0.000 2.552 7 Y HA 0.534 5.075 4.550 -0.015 0.000 0.337 7 Y C -1.228 174.687 175.900 0.025 0.000 1.094 7 Y CA -1.187 56.878 58.100 -0.059 0.000 1.028 7 Y CB 1.618 39.990 38.460 -0.148 0.000 1.321 7 Y HN 0.628 nan 8.280 nan 0.000 0.456 8 H N 3.440 121.976 119.070 -0.890 0.000 3.129 8 H HA 0.631 5.178 4.556 -0.014 0.000 0.342 8 H C -2.028 172.515 175.328 -1.309 0.000 1.092 8 H CA -0.640 54.697 56.048 -1.185 0.000 1.310 8 H CB 1.069 30.475 29.762 -0.593 0.000 1.932 8 H HN 0.644 nan 8.280 nan 0.000 0.507 9 R N 5.144 124.531 120.500 -1.855 0.000 2.502 9 R HA 0.373 4.704 4.340 -0.016 0.000 0.300 9 R C -2.786 173.056 176.300 -0.763 0.000 0.984 9 R CA -2.599 52.920 56.100 -0.967 0.000 0.882 9 R CB 1.431 31.381 30.300 -0.584 0.000 1.180 9 R HN 0.480 nan 8.270 nan 0.000 0.444 10 P HA 0.148 nan 4.420 nan 0.000 0.245 10 P C -1.064 176.286 177.300 0.084 0.000 1.670 10 P CA 0.498 63.592 63.100 -0.011 0.000 1.146 10 P CB 0.192 31.999 31.700 0.178 0.000 1.954 11 A N 1.500 124.397 122.820 0.128 0.000 2.361 11 A HA 0.390 4.701 4.320 -0.016 0.000 0.297 11 A C -0.293 177.443 177.584 0.253 0.000 1.036 11 A CA -0.411 51.737 52.037 0.186 0.000 0.589 11 A CB -0.075 18.988 19.000 0.106 0.000 1.418 11 A HN 0.326 nan 8.150 nan 0.000 0.539 12 D N 0.123 120.648 120.400 0.208 0.000 3.698 12 D HA -0.312 4.319 4.640 -0.016 0.000 0.157 12 D C 1.197 177.608 176.300 0.184 0.000 0.888 12 D CA 1.917 56.020 54.000 0.172 0.000 0.917 12 D CB -0.709 40.189 40.800 0.162 0.000 0.441 12 D HN 0.980 nan 8.370 nan 0.000 0.390 13 N N 1.231 119.996 118.700 0.108 0.000 2.453 13 N HA -0.138 4.592 4.740 -0.016 0.000 0.183 13 N C 1.925 177.482 175.510 0.079 0.000 1.041 13 N CA 1.249 54.301 53.050 0.002 0.000 0.900 13 N CB -0.523 37.847 38.487 -0.195 0.000 0.961 13 N HN 0.377 nan 8.380 nan 0.000 0.443 14 F N 0.895 120.961 119.950 0.194 0.000 2.387 14 F HA 0.385 4.902 4.527 -0.017 0.000 0.294 14 F C 1.329 177.283 175.800 0.257 0.000 1.093 14 F CA 0.410 58.507 58.000 0.160 0.000 1.420 14 F CB 0.186 39.077 39.000 -0.181 0.000 1.086 14 F HN 0.084 nan 8.300 nan 0.000 0.531 15 A N -0.215 122.890 122.820 0.475 0.000 2.408 15 A HA 0.681 4.992 4.320 -0.016 0.000 0.295 15 A C -1.805 176.116 177.584 0.562 0.000 1.040 15 A CA -0.474 51.821 52.037 0.430 0.000 0.707 15 A CB 0.457 19.776 19.000 0.531 0.000 1.235 15 A HN 0.294 nan 8.150 nan 0.000 0.418 16 Y N -0.657 119.792 120.300 0.248 0.000 2.521 16 Y HA 0.676 5.217 4.550 -0.014 0.000 0.326 16 Y C -0.322 175.571 175.900 -0.011 0.000 1.176 16 Y CA -0.780 57.461 58.100 0.236 0.000 1.079 16 Y CB 0.579 39.142 38.460 0.171 0.000 1.341 16 Y HN 1.217 nan 8.280 nan 0.000 0.456 17 A N 3.151 126.068 122.820 0.160 0.000 2.491 17 A HA 0.237 4.547 4.320 -0.016 0.000 0.261 17 A C -0.071 177.575 177.584 0.103 0.000 1.101 17 A CA -0.110 51.913 52.037 -0.024 0.000 0.772 17 A CB -0.293 18.766 19.000 0.100 0.000 1.043 17 A HN 1.008 nan 8.150 nan 0.000 0.501 18 Y N 2.432 122.599 120.300 -0.221 0.000 2.286 18 Y HA 0.044 4.586 4.550 -0.014 0.000 0.293 18 Y C 0.823 176.710 175.900 -0.023 0.000 1.124 18 Y CA 2.076 60.069 58.100 -0.177 0.000 1.178 18 Y CB 0.270 38.412 38.460 -0.530 0.000 1.010 18 Y HN 0.871 nan 8.280 nan 0.000 0.536 19 D N -3.369 117.055 120.400 0.040 0.000 3.561 19 D HA 0.176 4.806 4.640 -0.016 0.000 0.302 19 D C 0.138 176.450 176.300 0.020 0.000 1.417 19 D CA -0.017 53.988 54.000 0.009 0.000 0.994 19 D CB 0.230 41.076 40.800 0.077 0.000 1.358 19 D HN -0.197 nan 8.370 nan 0.000 0.626 20 S N -1.237 114.477 115.700 0.023 0.000 2.660 20 S HA 0.186 4.647 4.470 -0.016 0.000 0.227 20 S C 0.345 174.936 174.600 -0.015 0.000 0.948 20 S CA 0.219 58.430 58.200 0.018 0.000 0.948 20 S CB -0.662 62.558 63.200 0.032 0.000 0.779 20 S HN 0.611 nan 8.310 nan 0.000 0.487 21 E N -1.171 119.010 120.200 -0.031 0.000 2.436 21 E HA 0.031 4.371 4.350 -0.016 0.000 0.167 21 E C -0.762 175.791 176.600 -0.079 0.000 0.898 21 E CA -0.227 56.133 56.400 -0.068 0.000 1.354 21 E CB -0.043 29.628 29.700 -0.049 0.000 1.442 21 E HN 0.117 nan 8.360 nan 0.000 0.671 22 T N 2.524 117.047 114.554 -0.051 0.000 2.840 22 T HA 0.580 4.921 4.350 -0.016 0.000 0.287 22 T C -0.840 173.796 174.700 -0.107 0.000 0.991 22 T CA -0.717 61.354 62.100 -0.048 0.000 0.964 22 T CB 1.398 70.299 68.868 0.055 0.000 0.954 22 T HN 0.283 nan 8.240 nan 0.000 0.438 23 L N 0.683 121.773 121.223 -0.223 0.000 2.370 23 L HA 0.701 5.032 4.340 -0.016 0.000 0.266 23 L C -0.745 175.924 176.870 -0.335 0.000 1.002 23 L CA -0.867 53.737 54.840 -0.392 0.000 0.818 23 L CB 1.051 42.709 42.059 -0.670 0.000 1.325 23 L HN 0.630 nan 8.230 nan 0.000 0.418 24 H N 2.353 120.989 119.070 -0.723 0.000 2.458 24 H HA 0.724 5.271 4.556 -0.015 0.000 0.330 24 H C -0.990 173.929 175.328 -0.683 0.000 1.111 24 H CA -0.890 54.655 56.048 -0.838 0.000 1.245 24 H CB 1.972 31.140 29.762 -0.989 0.000 1.456 24 H HN 0.449 nan 8.280 nan 0.000 0.488 25 L N 2.872 123.818 121.223 -0.462 0.000 2.346 25 L HA 0.557 4.887 4.340 -0.016 0.000 0.274 25 L C -0.190 176.638 176.870 -0.070 0.000 1.007 25 L CA -0.696 54.041 54.840 -0.171 0.000 0.818 25 L CB 2.197 44.111 42.059 -0.242 0.000 1.284 25 L HN 0.493 nan 8.230 nan 0.000 0.424 26 R N 2.344 123.003 120.500 0.265 0.000 2.673 26 R HA 0.747 5.077 4.340 -0.016 0.000 0.281 26 R C -2.004 174.564 176.300 0.447 0.000 0.991 26 R CA -0.666 55.624 56.100 0.317 0.000 0.896 26 R CB 2.197 32.677 30.300 0.300 0.000 1.201 26 R HN 0.474 nan 8.270 nan 0.000 0.457 27 L N 2.473 123.855 121.223 0.265 0.000 2.370 27 L HA 0.619 4.950 4.340 -0.016 0.000 0.266 27 L C -1.251 175.766 176.870 0.246 0.000 1.002 27 L CA -0.556 54.333 54.840 0.081 0.000 0.818 27 L CB 1.909 43.672 42.059 -0.493 0.000 1.325 27 L HN 0.713 nan 8.230 nan 0.000 0.418 28 R N 1.896 122.492 120.500 0.160 0.000 2.562 28 R HA 0.829 5.159 4.340 -0.016 0.000 0.298 28 R C -1.339 174.938 176.300 -0.038 0.000 0.961 28 R CA 0.028 56.075 56.100 -0.088 0.000 0.881 28 R CB 1.517 31.700 30.300 -0.195 0.000 1.159 28 R HN 0.912 nan 8.270 nan 0.000 0.450 29 T N -0.124 114.450 114.554 0.033 0.000 2.843 29 T HA 0.274 4.615 4.350 -0.016 0.000 0.302 29 T C -0.891 174.021 174.700 0.354 0.000 1.232 29 T CA -1.055 61.161 62.100 0.193 0.000 1.009 29 T CB 1.380 70.411 68.868 0.270 0.000 1.254 29 T HN 0.560 nan 8.240 nan 0.000 0.504 30 K N 1.566 122.148 120.400 0.302 0.000 2.447 30 K HA 0.097 4.407 4.320 -0.016 0.000 0.281 30 K C 0.371 177.054 176.600 0.139 0.000 1.031 30 K CA -0.427 55.985 56.287 0.208 0.000 1.019 30 K CB 0.423 32.985 32.500 0.102 0.000 0.918 30 K HN 0.630 nan 8.250 nan 0.000 0.476 31 K N 4.224 124.662 120.400 0.062 0.000 2.504 31 K HA -0.188 4.123 4.320 -0.016 0.000 0.278 31 K C -0.571 176.068 176.600 0.064 0.000 1.025 31 K CA 1.027 57.347 56.287 0.055 0.000 1.093 31 K CB 0.170 32.670 32.500 0.001 0.000 0.873 31 K HN 0.824 nan 8.250 nan 0.000 0.483 32 D N 2.115 122.575 120.400 0.100 0.000 2.837 32 D HA -0.226 4.405 4.640 -0.016 0.000 0.195 32 D C 0.632 177.001 176.300 0.114 0.000 1.033 32 D CA 1.703 55.764 54.000 0.102 0.000 1.021 32 D CB -0.837 39.998 40.800 0.058 0.000 1.101 32 D HN 0.831 nan 8.370 nan 0.000 0.431 33 D N -0.346 120.125 120.400 0.118 0.000 2.144 33 D HA -0.076 4.555 4.640 -0.016 0.000 0.200 33 D C 0.614 176.980 176.300 0.109 0.000 0.978 33 D CA 0.894 54.952 54.000 0.096 0.000 0.833 33 D CB 0.257 41.105 40.800 0.080 0.000 0.961 33 D HN 0.243 nan 8.370 nan 0.000 0.470 34 I N 1.236 121.908 120.570 0.170 0.000 2.354 34 I HA 0.147 4.308 4.170 -0.016 0.000 0.292 34 I C 0.830 177.063 176.117 0.194 0.000 0.989 34 I CA -0.561 60.820 61.300 0.134 0.000 1.188 34 I CB 1.395 39.424 38.000 0.048 0.000 1.342 34 I HN -0.137 nan 8.210 nan 0.000 0.457 35 D N 5.270 125.753 120.400 0.138 0.000 2.077 35 D HA -0.013 4.618 4.640 -0.016 0.000 0.193 35 D C 0.783 177.192 176.300 0.182 0.000 0.989 35 D CA 1.671 55.770 54.000 0.166 0.000 0.831 35 D CB 0.423 41.302 40.800 0.132 0.000 0.979 35 D HN 0.500 nan 8.370 nan 0.000 0.449 36 R N -0.991 119.555 120.500 0.076 0.000 2.836 36 R HA 0.660 4.991 4.340 -0.016 0.000 0.269 36 R C -1.198 174.961 176.300 -0.235 0.000 1.010 36 R CA -0.785 55.295 56.100 -0.033 0.000 0.930 36 R CB 2.802 33.163 30.300 0.100 0.000 1.218 36 R HN -0.187 nan 8.270 nan 0.000 0.473 37 V N 0.858 120.522 119.914 -0.416 0.000 2.841 37 V HA 0.430 4.541 4.120 -0.016 0.000 0.310 37 V C -0.782 175.300 176.094 -0.019 0.000 1.090 37 V CA -0.867 61.216 62.300 -0.362 0.000 0.930 37 V CB 2.241 33.537 31.823 -0.878 0.000 1.014 37 V HN 0.728 nan 8.190 nan 0.000 0.425 38 E N 2.147 122.410 120.200 0.104 0.000 2.256 38 E HA 0.512 4.853 4.350 -0.016 0.000 0.268 38 E C -1.475 175.244 176.600 0.200 0.000 0.877 38 E CA -0.886 55.621 56.400 0.178 0.000 0.757 38 E CB 2.770 32.618 29.700 0.247 0.000 1.183 38 E HN 0.588 nan 8.360 nan 0.000 0.418 39 L N 4.661 126.002 121.223 0.197 0.000 2.315 39 L HA 0.319 4.650 4.340 -0.016 0.000 0.283 39 L C -1.040 175.933 176.870 0.173 0.000 1.089 39 L CA -0.084 54.861 54.840 0.174 0.000 0.833 39 L CB 0.446 42.572 42.059 0.112 0.000 1.170 39 L HN 0.532 nan 8.230 nan 0.000 0.442 40 L N 6.639 127.915 121.223 0.087 0.000 2.278 40 L HA 0.476 4.806 4.340 -0.016 0.000 0.287 40 L C -0.764 176.130 176.870 0.041 0.000 1.072 40 L CA -0.186 54.680 54.840 0.044 0.000 0.819 40 L CB 0.000 42.018 42.059 -0.069 0.000 1.176 40 L HN 0.930 nan 8.230 nan 0.000 0.435 41 H N 2.609 121.645 119.070 -0.057 0.000 2.980 41 H HA 0.974 5.521 4.556 -0.016 0.000 0.367 41 H C -0.698 174.557 175.328 -0.121 0.000 1.206 41 H CA -0.464 55.568 56.048 -0.028 0.000 1.126 41 H CB 1.978 31.737 29.762 -0.005 0.000 1.838 41 H HN 0.679 nan 8.280 nan 0.000 0.552 42 G N 0.244 109.081 108.800 0.063 0.000 2.368 42 G HA2 0.268 4.219 3.960 -0.016 0.000 0.293 42 G HA3 0.268 4.219 3.960 -0.016 0.000 0.293 42 G C -1.856 173.286 174.900 0.404 0.000 1.467 42 G CA -0.956 44.142 45.100 -0.004 0.000 0.804 42 G HN 0.878 nan 8.290 nan 0.000 0.535 43 D N 0.702 121.312 120.400 0.350 0.000 2.371 43 D HA 0.435 5.065 4.640 -0.016 0.000 0.256 43 D C -1.059 175.498 176.300 0.428 0.000 1.193 43 D CA -1.436 52.793 54.000 0.382 0.000 0.881 43 D CB 1.607 42.602 40.800 0.324 0.000 1.143 43 D HN 0.013 nan 8.370 nan 0.000 0.473 44 P HA -0.168 nan 4.420 nan 0.000 0.220 44 P C -0.402 176.700 177.300 -0.330 0.000 1.142 44 P CA 1.319 64.283 63.100 -0.227 0.000 0.801 44 P CB 0.011 31.452 31.700 -0.433 0.000 0.764 45 Y N -3.308 117.147 120.300 0.258 0.000 2.626 45 Y HA 0.235 4.776 4.550 -0.016 0.000 0.248 45 Y C 0.556 176.681 175.900 0.374 0.000 1.147 45 Y CA -0.875 57.411 58.100 0.311 0.000 1.219 45 Y CB -0.124 38.421 38.460 0.140 0.000 1.279 45 Y HN -0.192 nan 8.280 nan 0.000 0.541 46 D N 0.888 121.546 120.400 0.428 0.000 2.517 46 D HA 0.067 4.698 4.640 -0.016 0.000 0.220 46 D C -1.164 175.260 176.300 0.206 0.000 1.158 46 D CA -0.025 54.129 54.000 0.257 0.000 0.992 46 D CB -0.273 40.604 40.800 0.127 0.000 1.058 46 D HN 0.076 nan 8.370 nan 0.000 0.516 47 W N 1.929 123.337 121.300 0.181 0.000 2.606 47 W HA 0.502 5.155 4.660 -0.011 0.000 0.332 47 W C 0.097 176.675 176.519 0.099 0.000 1.052 47 W CA -0.662 56.783 57.345 0.166 0.000 1.223 47 W CB 1.299 30.845 29.460 0.144 0.000 1.383 47 W HN 0.100 nan 8.180 nan 0.000 0.524 48 Q N 0.793 120.759 119.800 0.275 0.000 2.418 48 Q HA 0.189 4.519 4.340 -0.016 0.000 0.282 48 Q C -0.205 175.893 176.000 0.163 0.000 1.044 48 Q CA -1.339 54.566 55.803 0.170 0.000 0.813 48 Q CB 2.151 30.939 28.738 0.083 0.000 1.428 48 Q HN 0.566 nan 8.270 nan 0.000 0.402 49 N N 0.417 119.191 118.700 0.124 0.000 2.677 49 N HA -0.273 4.457 4.740 -0.016 0.000 0.249 49 N C 0.467 176.070 175.510 0.155 0.000 1.073 49 N CA 1.463 54.577 53.050 0.108 0.000 0.737 49 N CB -0.905 37.625 38.487 0.072 0.000 0.999 49 N HN 1.047 nan 8.380 nan 0.000 0.543 50 G N -2.391 106.543 108.800 0.223 0.000 2.225 50 G HA2 0.001 3.952 3.960 -0.016 0.000 0.267 50 G HA3 0.001 3.952 3.960 -0.016 0.000 0.267 50 G C 0.065 175.252 174.900 0.478 0.000 1.024 50 G CA 0.569 45.852 45.100 0.306 0.000 0.784 50 G HN 1.309 nan 8.290 nan 0.000 0.507 51 A N -1.052 122.032 122.820 0.440 0.000 2.374 51 A HA 0.588 4.899 4.320 -0.016 0.000 0.305 51 A C -0.459 177.054 177.584 -0.118 0.000 1.053 51 A CA -0.476 51.715 52.037 0.258 0.000 0.726 51 A CB 0.921 19.991 19.000 0.118 0.000 1.229 51 A HN 1.327 nan 8.150 nan 0.000 0.431 52 W N 4.164 124.796 121.300 -1.113 0.000 2.659 52 W HA 0.283 4.938 4.660 -0.009 0.000 0.342 52 W C -0.268 175.923 176.519 -0.548 0.000 1.287 52 W CA -0.500 55.911 57.345 -1.558 0.000 1.460 52 W CB 0.406 28.751 29.460 -1.858 0.000 1.503 52 W HN 0.609 nan 8.180 nan 0.000 0.483 53 Q N 7.389 126.865 119.800 -0.540 0.000 2.256 53 Q HA 0.048 4.379 4.340 -0.016 0.000 0.281 53 Q C -0.610 174.868 176.000 -0.869 0.000 1.162 53 Q CA 0.491 55.965 55.803 -0.548 0.000 0.943 53 Q CB -0.882 27.674 28.738 -0.304 0.000 1.195 53 Q HN 0.501 nan 8.270 nan 0.000 0.403 54 F N -0.482 118.829 119.950 -1.064 0.000 2.588 54 F HA 0.624 5.144 4.527 -0.012 0.000 0.314 54 F C -0.442 174.893 175.800 -0.774 0.000 1.069 54 F CA -1.281 55.986 58.000 -1.220 0.000 0.931 54 F CB 1.432 39.302 39.000 -1.883 0.000 1.260 54 F HN 0.194 nan 8.300 nan 0.000 0.465 55 Q N 2.035 121.383 119.800 -0.753 0.000 2.297 55 Q HA 0.625 4.956 4.340 -0.016 0.000 0.269 55 Q C -1.113 174.679 176.000 -0.347 0.000 1.051 55 Q CA -1.333 54.101 55.803 -0.616 0.000 0.869 55 Q CB 2.325 30.738 28.738 -0.541 0.000 1.346 55 Q HN 0.571 nan 8.270 nan 0.000 0.457 56 M N 2.207 121.707 119.600 -0.167 0.000 2.023 56 M HA 0.379 4.850 4.480 -0.016 0.000 0.325 56 M C -1.135 175.211 176.300 0.076 0.000 0.963 56 M CA -0.046 55.265 55.300 0.019 0.000 0.928 56 M CB 0.991 33.612 32.600 0.035 0.000 1.429 56 M HN 0.645 nan 8.290 nan 0.000 0.404 57 M N 6.993 126.695 119.600 0.171 0.000 2.149 57 M HA 0.468 4.939 4.480 -0.016 0.000 0.342 57 M C -2.290 174.081 176.300 0.118 0.000 1.068 57 M CA -1.421 53.960 55.300 0.135 0.000 0.991 57 M CB 1.871 34.543 32.600 0.120 0.000 1.596 57 M HN 0.210 nan 8.290 nan 0.000 0.439 58 P HA 0.089 nan 4.420 nan 0.000 0.268 58 P C -1.212 176.177 177.300 0.147 0.000 1.205 58 P CA 0.251 63.425 63.100 0.123 0.000 0.771 58 P CB 0.610 32.371 31.700 0.102 0.000 0.858 59 M N 2.314 122.029 119.600 0.192 0.000 2.478 59 M HA 0.400 4.871 4.480 -0.016 0.000 0.327 59 M C 0.729 177.291 176.300 0.436 0.000 1.187 59 M CA -0.627 54.840 55.300 0.278 0.000 1.022 59 M CB 1.901 34.676 32.600 0.292 0.000 1.629 59 M HN 0.247 nan 8.290 nan 0.000 0.461 60 R N 1.724 122.475 120.500 0.419 0.000 2.294 60 R HA 0.284 4.614 4.340 -0.016 0.000 0.319 60 R C -0.777 175.700 176.300 0.295 0.000 0.984 60 R CA -0.650 55.664 56.100 0.358 0.000 0.861 60 R CB 1.055 31.499 30.300 0.241 0.000 1.104 60 R HN 0.507 nan 8.270 nan 0.000 0.451 61 K N 2.684 123.094 120.400 0.016 0.000 2.278 61 K HA 0.031 4.341 4.320 -0.016 0.000 0.289 61 K C 0.438 176.953 176.600 -0.141 0.000 1.080 61 K CA 0.088 56.103 56.287 -0.453 0.000 0.934 61 K CB 0.631 32.583 32.500 -0.915 0.000 1.093 61 K HN 0.710 nan 8.250 nan 0.000 0.459 62 T N 0.726 115.281 114.554 0.002 0.000 3.169 62 T HA 0.327 4.668 4.350 -0.016 0.000 0.250 62 T C 0.721 175.517 174.700 0.159 0.000 1.111 62 T CA -0.006 62.149 62.100 0.091 0.000 1.010 62 T CB 0.063 69.012 68.868 0.135 0.000 0.984 62 T HN 0.629 nan 8.240 nan 0.000 0.537 63 G N 0.313 109.140 108.800 0.045 0.000 2.368 63 G HA2 0.423 4.374 3.960 -0.016 0.000 0.302 63 G HA3 0.423 4.374 3.960 -0.016 0.000 0.302 63 G C -1.137 173.760 174.900 -0.005 0.000 1.329 63 G CA -0.390 44.752 45.100 0.070 0.000 0.935 63 G HN 1.089 nan 8.290 nan 0.000 0.590 64 S N -0.948 114.791 115.700 0.066 0.000 2.625 64 S HA 0.855 5.316 4.470 -0.016 0.000 0.271 64 S C -0.750 173.932 174.600 0.137 0.000 1.161 64 S CA 0.209 58.493 58.200 0.140 0.000 0.820 64 S CB 2.394 65.635 63.200 0.068 0.000 1.137 64 S HN 1.385 nan 8.310 nan 0.000 0.470 65 D N -0.073 120.450 120.400 0.205 0.000 2.707 65 D HA 0.444 5.075 4.640 -0.016 0.000 0.223 65 D C 0.849 177.171 176.300 0.036 0.000 1.208 65 D CA -0.552 53.530 54.000 0.137 0.000 1.081 65 D CB -0.310 40.672 40.800 0.304 0.000 1.216 65 D HN 0.346 nan 8.370 nan 0.000 0.633 66 E N -0.551 119.645 120.200 -0.006 0.000 2.058 66 E HA -0.045 4.296 4.350 -0.016 0.000 0.194 66 E C 1.894 178.409 176.600 -0.142 0.000 0.997 66 E CA 1.240 57.591 56.400 -0.081 0.000 0.801 66 E CB -0.151 29.488 29.700 -0.103 0.000 0.746 66 E HN 0.447 nan 8.360 nan 0.000 0.450 67 L N -1.747 119.326 121.223 -0.251 0.000 2.749 67 L HA 0.215 4.546 4.340 -0.016 0.000 0.242 67 L C 0.130 176.604 176.870 -0.660 0.000 1.103 67 L CA -0.169 54.348 54.840 -0.539 0.000 0.906 67 L CB 0.445 41.986 42.059 -0.865 0.000 1.228 67 L HN -0.102 nan 8.230 nan 0.000 0.517 68 F N -0.975 118.988 119.950 0.022 0.000 2.598 68 F HA 0.521 5.038 4.527 -0.016 0.000 0.327 68 F C -0.211 175.519 175.800 -0.116 0.000 1.057 68 F CA -1.179 56.769 58.000 -0.087 0.000 0.957 68 F CB 0.954 39.798 39.000 -0.261 0.000 1.278 68 F HN -0.300 nan 8.300 nan 0.000 0.484 69 D N -0.077 120.349 120.400 0.043 0.000 2.248 69 D HA 0.367 4.998 4.640 -0.016 0.000 0.246 69 D C -1.502 174.602 176.300 -0.328 0.000 1.027 69 D CA -0.196 53.751 54.000 -0.090 0.000 0.853 69 D CB 1.328 42.145 40.800 0.028 0.000 1.243 69 D HN 0.290 nan 8.370 nan 0.000 0.462 70 Y N 0.706 120.806 120.300 -0.332 0.000 2.350 70 Y HA 0.433 4.973 4.550 -0.016 0.000 0.338 70 Y C -0.588 175.127 175.900 -0.307 0.000 0.961 70 Y CA -0.905 57.046 58.100 -0.249 0.000 1.100 70 Y CB 1.235 39.364 38.460 -0.552 0.000 1.179 70 Y HN 0.253 nan 8.280 nan 0.000 0.454 71 W N 4.155 125.573 121.300 0.196 0.000 2.570 71 W HA 0.600 5.251 4.660 -0.015 0.000 0.337 71 W C -0.951 175.726 176.519 0.263 0.000 1.067 71 W CA -0.953 56.509 57.345 0.196 0.000 1.229 71 W CB 1.106 30.627 29.460 0.101 0.000 1.355 71 W HN 0.342 nan 8.180 nan 0.000 0.555 72 F N 1.520 121.640 119.950 0.283 0.000 2.579 72 F HA 0.856 5.373 4.527 -0.017 0.000 0.324 72 F C -0.596 175.264 175.800 0.099 0.000 1.058 72 F CA -1.171 56.916 58.000 0.145 0.000 0.944 72 F CB 1.475 40.504 39.000 0.047 0.000 1.245 72 F HN 0.436 nan 8.300 nan 0.000 0.477 73 A N 3.465 125.805 122.820 -0.800 0.000 2.566 73 A HA 0.523 4.833 4.320 -0.016 0.000 0.297 73 A C -1.758 175.307 177.584 -0.864 0.000 1.059 73 A CA -0.626 51.112 52.037 -0.498 0.000 0.691 73 A CB 1.500 20.361 19.000 -0.231 0.000 1.282 73 A HN 0.763 nan 8.150 nan 0.000 0.401 74 E N 1.031 120.967 120.200 -0.441 0.000 2.165 74 E HA 0.586 4.926 4.350 -0.016 0.000 0.266 74 E C -1.832 174.611 176.600 -0.263 0.000 0.889 74 E CA -0.498 55.698 56.400 -0.341 0.000 0.756 74 E CB 1.959 31.588 29.700 -0.118 0.000 1.131 74 E HN 0.640 nan 8.360 nan 0.000 0.411 75 V N 4.736 124.475 119.914 -0.290 0.000 2.760 75 V HA 0.419 4.530 4.120 -0.016 0.000 0.309 75 V C -1.473 174.476 176.094 -0.242 0.000 1.077 75 V CA -0.700 61.407 62.300 -0.322 0.000 0.910 75 V CB 1.964 33.471 31.823 -0.528 0.000 1.008 75 V HN 0.610 nan 8.190 nan 0.000 0.424 76 K N 6.849 127.143 120.400 -0.177 0.000 2.414 76 K HA 0.453 4.764 4.320 -0.016 0.000 0.251 76 K C -2.689 173.851 176.600 -0.099 0.000 1.037 76 K CA -1.586 54.624 56.287 -0.130 0.000 0.980 76 K CB 1.466 33.912 32.500 -0.090 0.000 1.280 76 K HN 0.456 nan 8.250 nan 0.000 0.451 77 P HA 0.005 nan 4.420 nan 0.000 0.267 77 P C -1.722 175.558 177.300 -0.035 0.000 1.205 77 P CA -1.041 62.050 63.100 -0.014 0.000 0.765 77 P CB 0.359 32.052 31.700 -0.011 0.000 0.828 78 P HA -0.172 nan 4.420 nan 0.000 0.215 78 P C 0.133 177.189 177.300 -0.407 0.000 1.153 78 P CA 1.886 64.866 63.100 -0.199 0.000 0.853 78 P CB -0.074 31.553 31.700 -0.122 0.000 0.788 79 Y N -1.146 119.162 120.300 0.014 0.000 2.720 79 Y HA 0.396 4.936 4.550 -0.017 0.000 0.268 79 Y C 0.847 176.683 175.900 -0.108 0.000 1.142 79 Y CA -0.619 57.487 58.100 0.010 0.000 1.193 79 Y CB -0.159 38.357 38.460 0.092 0.000 1.176 79 Y HN -0.165 nan 8.280 nan 0.000 0.542 80 R N -0.010 120.424 120.500 -0.109 0.000 3.875 80 R HA -0.209 4.122 4.340 -0.016 0.000 0.321 80 R C -0.547 175.559 176.300 -0.324 0.000 1.196 80 R CA 0.765 56.640 56.100 -0.375 0.000 0.868 80 R CB -1.693 28.121 30.300 -0.811 0.000 1.333 80 R HN 0.379 nan 8.270 nan 0.000 0.522 81 R N 0.207 120.726 120.500 0.031 0.000 2.750 81 R HA 0.700 5.031 4.340 -0.016 0.000 0.281 81 R C -1.107 175.339 176.300 0.244 0.000 0.972 81 R CA -1.070 55.160 56.100 0.217 0.000 0.912 81 R CB 1.952 32.477 30.300 0.375 0.000 1.187 81 R HN 0.006 nan 8.270 nan 0.000 0.464 82 L N 1.089 122.488 121.223 0.292 0.000 2.526 82 L HA 0.464 4.795 4.340 -0.016 0.000 0.263 82 L C -1.583 175.518 176.870 0.385 0.000 0.943 82 L CA -0.476 54.556 54.840 0.320 0.000 0.859 82 L CB 2.013 44.217 42.059 0.243 0.000 1.313 82 L HN 0.463 nan 8.230 nan 0.000 0.406 83 R N 3.910 124.635 120.500 0.376 0.000 2.437 83 R HA 0.653 4.983 4.340 -0.016 0.000 0.310 83 R C -1.567 174.960 176.300 0.378 0.000 0.955 83 R CA -0.455 55.797 56.100 0.252 0.000 0.851 83 R CB 1.574 31.837 30.300 -0.061 0.000 1.161 83 R HN 0.726 nan 8.270 nan 0.000 0.446 84 Y N -1.304 119.096 120.300 0.167 0.000 2.644 84 Y HA 0.864 5.404 4.550 -0.017 0.000 0.338 84 Y C -0.371 175.590 175.900 0.102 0.000 1.119 84 Y CA -1.364 56.775 58.100 0.065 0.000 1.060 84 Y CB 1.346 39.781 38.460 -0.041 0.000 1.294 84 Y HN 0.613 nan 8.280 nan 0.000 0.472 85 G N 0.108 108.885 108.800 -0.038 0.000 2.687 85 G HA2 0.654 4.605 3.960 -0.016 0.000 0.291 85 G HA3 0.654 4.605 3.960 -0.016 0.000 0.291 85 G C -2.503 172.113 174.900 -0.473 0.000 1.420 85 G CA -1.105 43.903 45.100 -0.154 0.000 0.796 85 G HN 0.470 nan 8.290 nan 0.000 0.485 86 F N -0.382 119.663 119.950 0.159 0.000 2.540 86 F HA 0.602 5.118 4.527 -0.017 0.000 0.317 86 F C 0.015 175.849 175.800 0.057 0.000 1.104 86 F CA -0.958 57.108 58.000 0.111 0.000 0.913 86 F CB 2.668 41.745 39.000 0.127 0.000 1.170 86 F HN 0.224 nan 8.300 nan 0.000 0.450 87 V N 4.639 124.645 119.914 0.153 0.000 2.384 87 V HA 0.505 4.616 4.120 -0.016 0.000 0.287 87 V C -0.536 175.406 176.094 -0.253 0.000 1.020 87 V CA -0.621 61.636 62.300 -0.072 0.000 0.850 87 V CB 1.395 33.158 31.823 -0.099 0.000 0.987 87 V HN 0.477 nan 8.190 nan 0.000 0.436 88 L N 5.777 126.791 121.223 -0.349 0.000 2.329 88 L HA 0.613 4.944 4.340 -0.016 0.000 0.279 88 L C -0.925 175.642 176.870 -0.504 0.000 1.014 88 L CA -0.279 54.350 54.840 -0.351 0.000 0.814 88 L CB 1.413 43.376 42.059 -0.160 0.000 1.257 88 L HN 0.487 nan 8.230 nan 0.000 0.424 89 Y N 0.591 120.863 120.300 -0.046 0.000 2.376 89 Y HA 0.615 5.161 4.550 -0.006 0.000 0.340 89 Y C 0.240 176.136 175.900 -0.006 0.000 0.965 89 Y CA -0.656 57.437 58.100 -0.011 0.000 1.078 89 Y CB 2.343 40.800 38.460 -0.004 0.000 1.193 89 Y HN 0.486 nan 8.280 nan 0.000 0.452 90 S N 2.517 118.312 115.700 0.159 0.000 2.383 90 S HA 0.565 5.025 4.470 -0.016 0.000 0.196 90 S C 0.344 175.004 174.600 0.100 0.000 1.364 90 S CA 0.236 58.500 58.200 0.106 0.000 1.212 90 S CB -0.362 62.876 63.200 0.063 0.000 1.171 90 S HN 1.292 nan 8.310 nan 0.000 0.456 91 G N 4.351 113.212 108.800 0.101 0.000 3.127 91 G HA2 -0.252 3.698 3.960 -0.016 0.000 0.280 91 G HA3 -0.252 3.698 3.960 -0.016 0.000 0.280 91 G C 0.327 175.281 174.900 0.090 0.000 1.491 91 G CA 0.649 45.795 45.100 0.078 0.000 1.029 91 G HN 0.589 nan 8.290 nan 0.000 0.582 92 E N 1.109 121.364 120.200 0.091 0.000 2.485 92 E HA 0.303 4.644 4.350 -0.016 0.000 0.213 92 E C 0.799 177.477 176.600 0.130 0.000 0.923 92 E CA 0.475 56.935 56.400 0.101 0.000 1.054 92 E CB 0.662 30.404 29.700 0.070 0.000 1.077 92 E HN 0.599 nan 8.360 nan 0.000 0.509 93 E N 1.835 122.104 120.200 0.116 0.000 2.384 93 E HA 0.030 4.371 4.350 -0.016 0.000 0.266 93 E C -0.456 176.210 176.600 0.111 0.000 1.012 93 E CA 0.214 56.680 56.400 0.110 0.000 0.901 93 E CB 0.534 30.282 29.700 0.080 0.000 0.967 93 E HN -0.170 nan 8.360 nan 0.000 0.435 94 K N 5.039 125.496 120.400 0.094 0.000 2.443 94 K HA 0.411 4.722 4.320 -0.016 0.000 0.252 94 K C -1.458 175.111 176.600 -0.052 0.000 0.933 94 K CA -0.651 55.631 56.287 -0.009 0.000 0.792 94 K CB 0.923 33.452 32.500 0.049 0.000 1.185 94 K HN 0.507 nan 8.250 nan 0.000 0.425 95 L N 3.524 124.657 121.223 -0.150 0.000 2.381 95 L HA 0.541 4.872 4.340 -0.016 0.000 0.268 95 L C -1.016 175.831 176.870 -0.039 0.000 0.997 95 L CA -1.276 53.489 54.840 -0.126 0.000 0.818 95 L CB 2.356 44.358 42.059 -0.095 0.000 1.310 95 L HN 0.322 nan 8.230 nan 0.000 0.416 96 V N 2.431 122.366 119.914 0.034 0.000 2.349 96 V HA 0.253 4.364 4.120 -0.016 0.000 0.284 96 V C -1.006 175.187 176.094 0.166 0.000 1.014 96 V CA -0.613 61.736 62.300 0.081 0.000 0.826 96 V CB 1.364 33.198 31.823 0.019 0.000 1.009 96 V HN 0.430 nan 8.190 nan 0.000 0.431 97 Y N 5.278 125.594 120.300 0.027 0.000 2.350 97 Y HA 0.664 5.204 4.550 -0.017 0.000 0.340 97 Y C 0.482 176.353 175.900 -0.047 0.000 1.006 97 Y CA -0.491 57.523 58.100 -0.142 0.000 1.166 97 Y CB 1.238 39.719 38.460 0.034 0.000 1.168 97 Y HN 0.802 nan 8.280 nan 0.000 0.502 98 T N 0.737 114.981 114.554 -0.517 0.000 2.838 98 T HA 0.254 4.595 4.350 -0.016 0.000 0.292 98 T C 0.695 174.577 174.700 -1.363 0.000 1.113 98 T CA -0.445 61.091 62.100 -0.940 0.000 1.008 98 T CB 1.440 69.839 68.868 -0.783 0.000 1.259 98 T HN 0.648 nan 8.240 nan 0.000 0.520 99 E N 0.302 119.406 120.200 -1.828 0.000 2.204 99 E HA -0.086 4.254 4.350 -0.016 0.000 0.195 99 E C 1.562 177.834 176.600 -0.548 0.000 0.990 99 E CA 1.131 56.756 56.400 -1.292 0.000 0.821 99 E CB -0.050 29.086 29.700 -0.941 0.000 0.750 99 E HN 0.600 nan 8.360 nan 0.000 0.477 100 K N -0.360 119.786 120.400 -0.424 0.000 2.404 100 K HA 0.175 4.485 4.320 -0.016 0.000 0.194 100 K C 0.083 176.664 176.600 -0.031 0.000 1.023 100 K CA 0.314 56.513 56.287 -0.146 0.000 1.094 100 K CB 0.849 33.333 32.500 -0.028 0.000 0.841 100 K HN 0.295 nan 8.250 nan 0.000 0.523 101 G N 0.385 109.111 108.800 -0.122 0.000 2.362 101 G HA2 -0.174 3.777 3.960 -0.016 0.000 0.517 101 G HA3 -0.174 3.777 3.960 -0.016 0.000 0.517 101 G C -1.146 173.658 174.900 -0.161 0.000 1.256 101 G CA -1.080 43.954 45.100 -0.110 0.000 1.027 101 G HN 0.045 nan 8.290 nan 0.000 0.491 102 F N 0.232 120.167 119.950 -0.026 0.000 2.384 102 F HA 0.736 5.253 4.527 -0.017 0.000 0.338 102 F C 0.332 175.875 175.800 -0.427 0.000 1.103 102 F CA 0.141 58.068 58.000 -0.122 0.000 1.157 102 F CB 1.263 40.117 39.000 -0.242 0.000 1.167 102 F HN 0.437 nan 8.300 nan 0.000 0.529 103 Y N 1.070 121.271 120.300 -0.166 0.000 2.553 103 Y HA 0.375 4.916 4.550 -0.016 0.000 0.347 103 Y C -0.249 175.431 175.900 -0.368 0.000 1.019 103 Y CA -1.325 56.661 58.100 -0.190 0.000 1.032 103 Y CB 1.148 39.521 38.460 -0.146 0.000 1.284 103 Y HN 0.403 nan 8.280 nan 0.000 0.466 104 F N 0.170 120.213 119.950 0.155 0.000 2.660 104 F HA 0.344 4.861 4.527 -0.017 0.000 0.302 104 F C 0.165 176.014 175.800 0.081 0.000 1.103 104 F CA -0.040 58.016 58.000 0.092 0.000 1.340 104 F CB 0.475 39.505 39.000 0.051 0.000 1.048 104 F HN 0.341 nan 8.300 nan 0.000 0.551 105 E N -0.610 119.709 120.200 0.198 0.000 2.537 105 E HA 0.254 4.595 4.350 -0.016 0.000 0.301 105 E C -1.132 175.492 176.600 0.040 0.000 0.990 105 E CA -0.467 56.005 56.400 0.121 0.000 0.828 105 E CB 1.277 31.057 29.700 0.133 0.000 1.243 105 E HN -0.190 nan 8.360 nan 0.000 0.414 106 V N 6.343 126.257 119.914 -0.000 0.000 2.539 106 V HA 0.101 4.211 4.120 -0.016 0.000 0.294 106 V C -1.583 174.412 176.094 -0.165 0.000 0.994 106 V CA -0.015 62.232 62.300 -0.088 0.000 1.169 106 V CB -0.604 31.189 31.823 -0.049 0.000 0.898 106 V HN 0.516 nan 8.190 nan 0.000 0.471 107 P HA 0.223 nan 4.420 nan 0.000 0.275 107 P C 0.330 177.499 177.300 -0.219 0.000 1.227 107 P CA -0.107 62.674 63.100 -0.532 0.000 0.781 107 P CB 1.327 32.118 31.700 -1.514 0.000 0.906 108 T N -3.278 111.268 114.554 -0.013 0.000 3.130 108 T HA 0.046 4.387 4.350 -0.016 0.000 0.288 108 T C 0.621 175.542 174.700 0.368 0.000 0.936 108 T CA -0.217 61.990 62.100 0.178 0.000 0.897 108 T CB -0.495 68.469 68.868 0.160 0.000 1.178 108 T HN 0.341 nan 8.240 nan 0.000 0.543 109 D N 0.799 121.410 120.400 0.352 0.000 2.336 109 D HA 0.150 4.780 4.640 -0.016 0.000 0.229 109 D C 0.233 176.785 176.300 0.419 0.000 1.061 109 D CA 0.094 54.327 54.000 0.388 0.000 0.875 109 D CB 0.223 41.167 40.800 0.240 0.000 0.904 109 D HN 0.483 nan 8.370 nan 0.000 0.525 110 D N -1.246 119.498 120.400 0.573 0.000 2.694 110 D HA 0.060 4.691 4.640 -0.016 0.000 0.260 110 D C -0.212 176.284 176.300 0.327 0.000 1.250 110 D CA -0.146 54.055 54.000 0.336 0.000 0.763 110 D CB 1.500 42.317 40.800 0.029 0.000 1.311 110 D HN -0.077 nan 8.370 nan 0.000 0.420 111 T N -1.569 113.003 114.554 0.029 0.000 3.044 111 T HA 0.409 4.749 4.350 -0.016 0.000 0.260 111 T C 1.351 175.956 174.700 -0.159 0.000 1.019 111 T CA 0.596 62.549 62.100 -0.245 0.000 0.921 111 T CB 0.465 68.956 68.868 -0.628 0.000 1.053 111 T HN 0.316 nan 8.240 nan 0.000 0.533 112 A N 0.614 123.288 122.820 -0.244 0.000 2.067 112 A HA 0.183 4.494 4.320 -0.016 0.000 0.217 112 A C 1.675 179.012 177.584 -0.413 0.000 1.156 112 A CA 0.497 52.329 52.037 -0.341 0.000 0.683 112 A CB -0.885 17.874 19.000 -0.401 0.000 0.808 112 A HN 0.605 nan 8.150 nan 0.000 0.455 113 Y N -1.527 118.510 120.300 -0.439 0.000 2.352 113 Y HA -0.026 4.516 4.550 -0.014 0.000 0.292 113 Y C 0.482 175.842 175.900 -0.901 0.000 1.136 113 Y CA 0.236 57.914 58.100 -0.703 0.000 1.227 113 Y CB -0.666 37.167 38.460 -1.045 0.000 0.991 113 Y HN 0.330 nan 8.280 nan 0.000 0.545 114 Y N -0.716 119.393 120.300 -0.317 0.000 2.304 114 Y HA 0.251 4.792 4.550 -0.016 0.000 0.327 114 Y C 0.113 175.710 175.900 -0.505 0.000 1.209 114 Y CA -1.704 56.127 58.100 -0.448 0.000 1.299 114 Y CB 0.160 38.420 38.460 -0.334 0.000 1.249 114 Y HN -0.224 nan 8.280 nan 0.000 0.519 115 F N 1.110 120.805 119.950 -0.425 0.000 2.506 115 F HA 0.215 4.732 4.527 -0.017 0.000 0.351 115 F C 0.563 176.063 175.800 -0.500 0.000 1.136 115 F CA -0.244 57.415 58.000 -0.569 0.000 1.298 115 F CB 0.361 38.778 39.000 -0.971 0.000 1.145 115 F HN 0.397 nan 8.300 nan 0.000 0.593 116 C N 4.696 124.018 119.300 0.037 0.000 2.626 116 C HA 0.626 5.076 4.460 -0.016 0.000 0.310 116 C C -0.859 174.345 174.990 0.355 0.000 1.191 116 C CA -1.050 58.075 59.018 0.180 0.000 1.517 116 C CB 0.178 27.963 27.740 0.075 0.000 2.102 116 C HN 0.725 nan 8.230 nan 0.000 0.479 117 F N 6.960 127.104 119.950 0.324 0.000 2.660 117 F HA 0.399 4.917 4.527 -0.015 0.000 0.352 117 F C -1.691 174.228 175.800 0.199 0.000 1.257 117 F CA -1.783 56.373 58.000 0.261 0.000 1.200 117 F CB 0.962 40.103 39.000 0.236 0.000 1.473 117 F HN 0.492 nan 8.300 nan 0.000 0.561 118 P HA -0.265 nan 4.420 nan 0.000 0.218 118 P C -0.388 177.162 177.300 0.417 0.000 1.132 118 P CA 1.923 65.180 63.100 0.261 0.000 0.968 118 P CB 0.163 31.956 31.700 0.155 0.000 0.783 119 F N -3.504 116.533 119.950 0.144 0.000 2.668 119 F HA 0.404 4.923 4.527 -0.015 0.000 0.309 119 F C -1.297 174.467 175.800 -0.060 0.000 1.117 119 F CA -1.026 56.972 58.000 -0.003 0.000 0.951 119 F CB 1.309 40.177 39.000 -0.219 0.000 1.323 119 F HN -0.394 nan 8.300 nan 0.000 0.451 120 L N 5.552 126.567 121.223 -0.347 0.000 2.314 120 L HA 0.358 4.689 4.340 -0.016 0.000 0.275 120 L C -0.826 176.035 176.870 -0.015 0.000 1.068 120 L CA -0.536 54.241 54.840 -0.105 0.000 0.894 120 L CB -0.014 41.934 42.059 -0.186 0.000 1.275 120 L HN 0.426 nan 8.230 nan 0.000 0.432 121 H N 2.685 121.968 119.070 0.355 0.000 2.489 121 H HA 0.197 4.744 4.556 -0.015 0.000 0.322 121 H C 0.705 176.148 175.328 0.191 0.000 1.091 121 H CA -0.428 55.796 56.048 0.292 0.000 1.291 121 H CB 2.086 32.002 29.762 0.258 0.000 1.436 121 H HN 0.478 nan 8.280 nan 0.000 0.480 122 R N 2.375 123.036 120.500 0.268 0.000 2.120 122 R HA -0.111 4.219 4.340 -0.016 0.000 0.234 122 R C 1.529 177.919 176.300 0.150 0.000 1.123 122 R CA 1.501 57.701 56.100 0.167 0.000 0.975 122 R CB -0.072 30.303 30.300 0.124 0.000 0.866 122 R HN 0.473 nan 8.270 nan 0.000 0.446 123 V N -1.986 118.024 119.914 0.161 0.000 3.078 123 V HA -0.051 4.060 4.120 -0.016 0.000 0.265 123 V C 0.585 176.755 176.094 0.127 0.000 1.122 123 V CA 1.679 64.045 62.300 0.111 0.000 1.141 123 V CB -0.140 31.726 31.823 0.071 0.000 0.735 123 V HN 0.138 nan 8.190 nan 0.000 0.498 124 D N -0.085 120.430 120.400 0.192 0.000 2.398 124 D HA 0.271 4.901 4.640 -0.016 0.000 0.210 124 D C 0.554 176.979 176.300 0.208 0.000 1.094 124 D CA -0.141 53.977 54.000 0.197 0.000 0.839 124 D CB 0.643 41.591 40.800 0.248 0.000 0.963 124 D HN 0.464 nan 8.370 nan 0.000 0.506 125 L N 1.218 122.552 121.223 0.185 0.000 2.416 125 L HA 0.194 4.525 4.340 -0.016 0.000 0.272 125 L C -0.424 176.543 176.870 0.161 0.000 1.161 125 L CA -0.334 54.610 54.840 0.174 0.000 0.845 125 L CB 0.271 42.399 42.059 0.116 0.000 1.119 125 L HN -0.173 nan 8.230 nan 0.000 0.464 126 F N 4.872 124.843 119.950 0.035 0.000 2.438 126 F HA 0.394 4.911 4.527 -0.016 0.000 0.356 126 F C -0.141 175.636 175.800 -0.037 0.000 1.099 126 F CA -0.010 57.991 58.000 0.002 0.000 1.185 126 F CB 0.358 39.348 39.000 -0.017 0.000 1.115 126 F HN 0.586 nan 8.300 nan 0.000 0.526 127 E N 5.316 125.093 120.200 -0.704 0.000 2.302 127 E HA 0.523 4.864 4.350 -0.016 0.000 0.263 127 E C -1.283 174.969 176.600 -0.580 0.000 0.897 127 E CA -0.899 55.205 56.400 -0.494 0.000 0.809 127 E CB 1.635 31.207 29.700 -0.214 0.000 1.270 127 E HN 0.719 nan 8.360 nan 0.000 0.410 128 A N 3.930 126.476 122.820 -0.457 0.000 2.312 128 A HA 0.698 5.009 4.320 -0.016 0.000 0.328 128 A C -2.419 175.076 177.584 -0.148 0.000 1.158 128 A CA -1.619 50.267 52.037 -0.252 0.000 0.821 128 A CB 0.351 19.304 19.000 -0.078 0.000 1.170 128 A HN 0.313 nan 8.150 nan 0.000 0.490 129 P HA -0.017 nan 4.420 nan 0.000 0.266 129 P C -0.031 177.096 177.300 -0.289 0.000 1.186 129 P CA 0.640 63.630 63.100 -0.184 0.000 0.767 129 P CB 0.569 32.073 31.700 -0.326 0.000 0.820 130 D N 1.569 121.879 120.400 -0.149 0.000 2.216 130 D HA -0.078 4.553 4.640 -0.016 0.000 0.208 130 D C 1.483 177.715 176.300 -0.113 0.000 0.960 130 D CA 0.389 54.328 54.000 -0.101 0.000 0.861 130 D CB -0.251 40.550 40.800 0.000 0.000 0.985 130 D HN 0.526 nan 8.370 nan 0.000 0.493 131 W N 1.432 122.705 121.300 -0.044 0.000 2.350 131 W HA -0.188 4.463 4.660 -0.015 0.000 0.289 131 W C 1.634 178.084 176.519 -0.116 0.000 1.215 131 W CA 1.318 58.615 57.345 -0.080 0.000 1.236 131 W CB -1.421 27.985 29.460 -0.089 0.000 1.130 131 W HN -0.008 nan 8.180 nan 0.000 0.541 132 V N 1.059 120.421 119.914 -0.920 0.000 2.392 132 V HA -0.255 3.855 4.120 -0.016 0.000 0.249 132 V C 2.165 178.059 176.094 -0.332 0.000 1.059 132 V CA 2.195 63.964 62.300 -0.885 0.000 1.051 132 V CB -1.199 29.869 31.823 -1.258 0.000 0.658 132 V HN 0.142 nan 8.190 nan 0.000 0.455 133 K N 0.520 120.782 120.400 -0.229 0.000 2.574 133 K HA -0.024 4.287 4.320 -0.016 0.000 0.193 133 K C 0.660 177.221 176.600 -0.065 0.000 1.035 133 K CA 1.124 57.344 56.287 -0.111 0.000 0.982 133 K CB -0.141 32.312 32.500 -0.079 0.000 0.795 133 K HN 0.590 nan 8.250 nan 0.000 0.491 134 D N -0.244 120.123 120.400 -0.055 0.000 2.525 134 D HA 0.030 4.661 4.640 -0.016 0.000 0.231 134 D C -0.015 176.256 176.300 -0.048 0.000 1.216 134 D CA 0.124 54.104 54.000 -0.033 0.000 0.813 134 D CB 0.794 41.587 40.800 -0.011 0.000 1.108 134 D HN -0.035 nan 8.370 nan 0.000 0.524 135 T N 0.336 114.841 114.554 -0.081 0.000 2.816 135 T HA 0.473 4.813 4.350 -0.016 0.000 0.282 135 T C 0.398 175.006 174.700 -0.154 0.000 0.993 135 T CA -0.314 61.681 62.100 -0.174 0.000 0.994 135 T CB 2.141 70.803 68.868 -0.343 0.000 1.025 135 T HN -0.264 nan 8.240 nan 0.000 0.529 136 V N 1.159 120.951 119.914 -0.203 0.000 2.637 136 V HA 0.231 4.342 4.120 -0.016 0.000 0.274 136 V C -1.118 174.977 176.094 0.001 0.000 1.004 136 V CA -1.226 61.049 62.300 -0.043 0.000 0.894 136 V CB 0.378 32.198 31.823 -0.004 0.000 1.046 136 V HN 0.851 nan 8.190 nan 0.000 0.467 137 W N 2.550 123.901 121.300 0.085 0.000 2.126 137 W HA 0.555 5.206 4.660 -0.016 0.000 0.346 137 W C -0.235 176.426 176.519 0.237 0.000 1.279 137 W CA -0.138 57.321 57.345 0.190 0.000 1.259 137 W CB 0.438 30.059 29.460 0.269 0.000 1.133 137 W HN 0.584 nan 8.180 nan 0.000 0.592 138 Y N 1.746 122.302 120.300 0.427 0.000 2.329 138 Y HA 0.210 4.751 4.550 -0.016 0.000 0.328 138 Y C -0.286 175.782 175.900 0.280 0.000 0.992 138 Y CA -1.283 56.987 58.100 0.282 0.000 1.151 138 Y CB 1.114 39.682 38.460 0.180 0.000 1.150 138 Y HN 0.443 nan 8.280 nan 0.000 0.450 139 Q N 6.750 126.553 119.800 0.005 0.000 2.294 139 Q HA 0.512 4.843 4.340 -0.016 0.000 0.257 139 Q C -1.398 174.434 176.000 -0.281 0.000 0.955 139 Q CA -0.256 55.530 55.803 -0.028 0.000 0.936 139 Q CB 0.709 29.576 28.738 0.215 0.000 1.188 139 Q HN 0.788 nan 8.270 nan 0.000 0.420 140 I N 3.567 123.916 120.570 -0.369 0.000 2.530 140 I HA 0.296 4.456 4.170 -0.016 0.000 0.297 140 I C -0.917 174.933 176.117 -0.444 0.000 1.011 140 I CA -0.928 60.063 61.300 -0.516 0.000 1.107 140 I CB 1.482 39.109 38.000 -0.622 0.000 1.285 140 I HN 0.647 nan 8.210 nan 0.000 0.436 141 F N 8.170 127.692 119.950 -0.713 0.000 2.310 141 F HA 0.436 4.954 4.527 -0.016 0.000 0.365 141 F C -1.822 173.742 175.800 -0.393 0.000 1.080 141 F CA -2.403 55.314 58.000 -0.471 0.000 1.187 141 F CB 0.621 39.393 39.000 -0.380 0.000 1.465 141 F HN 0.253 nan 8.300 nan 0.000 0.496 142 P HA -0.297 nan 4.420 nan 0.000 0.225 142 P C 1.512 178.526 177.300 -0.476 0.000 1.154 142 P CA 1.520 64.217 63.100 -0.671 0.000 0.885 142 P CB 0.273 31.230 31.700 -1.239 0.000 0.785 143 E N -1.290 118.734 120.200 -0.293 0.000 2.274 143 E HA -0.106 4.234 4.350 -0.016 0.000 0.194 143 E C 1.129 177.915 176.600 0.311 0.000 0.996 143 E CA 0.839 57.331 56.400 0.152 0.000 0.840 143 E CB 0.076 29.876 29.700 0.167 0.000 0.772 143 E HN 0.190 nan 8.360 nan 0.000 0.491 144 R N -1.055 119.599 120.500 0.257 0.000 2.596 144 R HA 0.119 4.449 4.340 -0.016 0.000 0.369 144 R C 1.169 177.755 176.300 0.477 0.000 1.042 144 R CA -0.245 56.006 56.100 0.253 0.000 1.120 144 R CB -0.376 29.997 30.300 0.122 0.000 1.353 144 R HN 0.070 nan 8.270 nan 0.000 0.564 145 F N 1.156 121.279 119.950 0.289 0.000 2.222 145 F HA 0.445 4.963 4.527 -0.016 0.000 0.285 145 F C 0.226 176.297 175.800 0.450 0.000 1.068 145 F CA 0.071 58.231 58.000 0.266 0.000 1.265 145 F CB 0.403 39.438 39.000 0.058 0.000 1.087 145 F HN -0.034 nan 8.300 nan 0.000 0.511 146 A N 0.282 123.204 122.820 0.169 0.000 2.532 146 A HA 0.353 4.663 4.320 -0.016 0.000 0.296 146 A C -1.146 176.273 177.584 -0.276 0.000 1.058 146 A CA -0.577 51.248 52.037 -0.352 0.000 0.729 146 A CB 0.061 18.924 19.000 -0.229 0.000 1.285 146 A HN 0.134 nan 8.150 nan 0.000 0.396 147 N N 2.031 120.432 118.700 -0.499 0.000 3.243 147 N HA 0.173 4.903 4.740 -0.016 0.000 0.310 147 N C 1.421 176.858 175.510 -0.122 0.000 1.313 147 N CA 0.580 53.540 53.050 -0.150 0.000 1.204 147 N CB -0.067 38.388 38.487 -0.053 0.000 1.483 147 N HN 0.807 nan 8.380 nan 0.000 0.553 148 G N 0.847 109.589 108.800 -0.096 0.000 2.507 148 G HA2 -0.297 3.654 3.960 -0.016 0.000 0.221 148 G HA3 -0.297 3.654 3.960 -0.016 0.000 0.221 148 G C 0.697 175.567 174.900 -0.050 0.000 1.119 148 G CA 0.578 45.626 45.100 -0.087 0.000 0.751 148 G HN 0.588 nan 8.290 nan 0.000 0.574 149 N N -0.210 118.487 118.700 -0.006 0.000 2.746 149 N HA 0.303 5.033 4.740 -0.016 0.000 0.250 149 N C -1.658 173.873 175.510 0.036 0.000 1.146 149 N CA -1.972 51.085 53.050 0.011 0.000 0.828 149 N CB 1.825 40.328 38.487 0.026 0.000 1.158 149 N HN -0.114 nan 8.380 nan 0.000 0.519 150 P HA -0.091 nan 4.420 nan 0.000 0.236 150 P C 0.537 177.864 177.300 0.046 0.000 1.172 150 P CA 0.666 63.796 63.100 0.050 0.000 0.759 150 P CB 0.178 31.899 31.700 0.036 0.000 0.843 151 S N -0.124 115.595 115.700 0.032 0.000 2.496 151 S HA -0.015 4.446 4.470 -0.016 0.000 0.224 151 S C 1.758 176.367 174.600 0.016 0.000 0.996 151 S CA 0.208 58.421 58.200 0.021 0.000 0.927 151 S CB -1.139 62.068 63.200 0.011 0.000 0.774 151 S HN 0.363 nan 8.310 nan 0.000 0.524 152 I N -1.665 118.923 120.570 0.029 0.000 4.154 152 I HA 0.397 4.557 4.170 -0.016 0.000 0.334 152 I C -0.087 176.065 176.117 0.060 0.000 1.371 152 I CA -0.678 60.622 61.300 0.000 0.000 1.110 152 I CB 0.263 38.256 38.000 -0.012 0.000 1.085 152 I HN -0.061 nan 8.210 nan 0.000 0.398 153 S N 4.465 120.238 115.700 0.123 0.000 2.559 153 S HA 0.145 4.606 4.470 -0.016 0.000 0.282 153 S C -2.082 172.633 174.600 0.193 0.000 1.336 153 S CA -0.446 57.870 58.200 0.193 0.000 1.037 153 S CB -0.255 63.050 63.200 0.176 0.000 0.853 153 S HN 0.334 nan 8.310 nan 0.000 0.523 154 P HA 0.150 nan 4.420 nan 0.000 0.275 154 P C -0.550 176.717 177.300 -0.055 0.000 1.228 154 P CA -0.414 62.688 63.100 0.004 0.000 0.786 154 P CB 0.468 31.790 31.700 -0.630 0.000 0.927 155 E N 1.296 121.469 120.200 -0.044 0.000 2.493 155 E HA 0.165 4.506 4.350 -0.016 0.000 0.255 155 E C 1.432 178.001 176.600 -0.052 0.000 0.999 155 E CA 1.238 57.620 56.400 -0.030 0.000 0.934 155 E CB -0.318 29.369 29.700 -0.021 0.000 0.940 155 E HN 0.853 nan 8.360 nan 0.000 0.473 156 G N 2.820 111.609 108.800 -0.019 0.000 2.231 156 G HA2 -0.251 3.700 3.960 -0.016 0.000 0.206 156 G HA3 -0.251 3.700 3.960 -0.016 0.000 0.206 156 G C 0.481 175.375 174.900 -0.011 0.000 0.996 156 G CA 0.060 45.153 45.100 -0.013 0.000 0.645 156 G HN 0.471 nan 8.290 nan 0.000 0.498 157 S N 1.459 117.162 115.700 0.005 0.000 2.550 157 S HA 0.402 4.863 4.470 -0.016 0.000 0.285 157 S C 0.721 175.279 174.600 -0.070 0.000 1.326 157 S CA 0.097 58.302 58.200 0.007 0.000 1.037 157 S CB 0.703 63.965 63.200 0.105 0.000 0.838 157 S HN 0.485 nan 8.310 nan 0.000 0.519 158 R N 2.161 122.507 120.500 -0.256 0.000 2.598 158 R HA 0.417 4.748 4.340 -0.016 0.000 0.279 158 R C -2.597 173.698 176.300 -0.009 0.000 0.984 158 R CA -2.648 53.319 56.100 -0.220 0.000 0.999 158 R CB -0.196 29.840 30.300 -0.441 0.000 1.114 158 R HN 0.425 nan 8.270 nan 0.000 0.493 159 P HA -0.154 nan 4.420 nan 0.000 0.260 159 P C 0.193 177.707 177.300 0.356 0.000 1.185 159 P CA -0.061 63.164 63.100 0.209 0.000 0.763 159 P CB 0.375 32.168 31.700 0.154 0.000 0.776 160 W N 4.461 125.927 121.300 0.277 0.000 2.595 160 W HA -0.052 4.599 4.660 -0.016 0.000 0.362 160 W C 0.862 177.544 176.519 0.271 0.000 1.109 160 W CA 2.150 59.703 57.345 0.348 0.000 1.150 160 W CB -0.832 28.766 29.460 0.231 0.000 1.185 160 W HN 0.891 nan 8.180 nan 0.000 0.587 161 G N 2.895 111.627 108.800 -0.113 0.000 2.141 161 G HA2 -0.386 3.565 3.960 -0.016 0.000 0.231 161 G HA3 -0.386 3.565 3.960 -0.016 0.000 0.231 161 G C 1.066 176.020 174.900 0.090 0.000 0.984 161 G CA 0.699 45.708 45.100 -0.151 0.000 0.660 161 G HN 0.748 nan 8.290 nan 0.000 0.525 162 S N 0.306 116.158 115.700 0.253 0.000 2.392 162 S HA -0.025 4.435 4.470 -0.016 0.000 0.225 162 S C 1.219 175.905 174.600 0.145 0.000 1.041 162 S CA 2.291 60.600 58.200 0.182 0.000 1.100 162 S CB -0.157 63.136 63.200 0.154 0.000 1.029 162 S HN 1.291 nan 8.310 nan 0.000 0.424 163 E N -0.003 120.323 120.200 0.209 0.000 2.460 163 E HA 0.330 4.671 4.350 -0.016 0.000 0.277 163 E C -1.717 174.980 176.600 0.162 0.000 1.010 163 E CA -0.855 55.626 56.400 0.136 0.000 0.838 163 E CB -0.306 29.453 29.700 0.098 0.000 1.448 163 E HN 0.111 nan 8.360 nan 0.000 0.462 164 D N 2.987 123.437 120.400 0.082 0.000 2.493 164 D HA 0.171 4.802 4.640 -0.016 0.000 0.240 164 D C -1.757 174.621 176.300 0.130 0.000 1.142 164 D CA -0.389 53.642 54.000 0.053 0.000 0.872 164 D CB 0.125 40.940 40.800 0.025 0.000 1.173 164 D HN 0.197 nan 8.370 nan 0.000 0.467 165 P HA 0.079 nan 4.420 nan 0.000 0.273 165 P C -0.237 177.136 177.300 0.122 0.000 1.250 165 P CA -0.311 62.922 63.100 0.221 0.000 0.793 165 P CB 0.748 32.535 31.700 0.145 0.000 1.011 166 T N -4.661 109.963 114.554 0.117 0.000 2.888 166 T HA 0.466 4.807 4.350 -0.016 0.000 0.288 166 T C -2.098 172.636 174.700 0.056 0.000 1.063 166 T CA -1.820 60.320 62.100 0.066 0.000 1.010 166 T CB 1.155 70.053 68.868 0.050 0.000 1.214 166 T HN 0.210 nan 8.240 nan 0.000 0.533 167 P HA 0.075 nan 4.420 nan 0.000 0.239 167 P C 0.826 178.133 177.300 0.012 0.000 1.184 167 P CA 0.685 63.822 63.100 0.062 0.000 0.760 167 P CB -0.253 31.489 31.700 0.069 0.000 0.884 168 T N -5.272 109.270 114.554 -0.019 0.000 3.087 168 T HA 0.118 4.459 4.350 -0.016 0.000 0.283 168 T C 0.766 175.401 174.700 -0.110 0.000 0.956 168 T CA -0.201 61.863 62.100 -0.060 0.000 0.894 168 T CB -0.464 68.421 68.868 0.029 0.000 1.160 168 T HN 0.123 nan 8.240 nan 0.000 0.532 169 S N 1.100 116.750 115.700 -0.083 0.000 2.593 169 S HA 0.666 5.126 4.470 -0.016 0.000 0.269 169 S C -0.769 173.717 174.600 -0.189 0.000 1.334 169 S CA -0.504 57.667 58.200 -0.049 0.000 1.015 169 S CB 0.141 63.371 63.200 0.050 0.000 0.912 169 S HN 0.262 nan 8.310 nan 0.000 0.541 170 F N 0.306 120.223 119.950 -0.055 0.000 2.569 170 F HA 0.541 5.059 4.527 -0.016 0.000 0.312 170 F C -0.435 175.308 175.800 -0.094 0.000 1.109 170 F CA -1.023 57.008 58.000 0.052 0.000 0.919 170 F CB 1.920 40.928 39.000 0.013 0.000 1.211 170 F HN 0.578 nan 8.300 nan 0.000 0.446 171 F N 0.926 121.073 119.950 0.330 0.000 2.814 171 F HA 0.336 4.854 4.527 -0.015 0.000 0.326 171 F C 1.212 177.290 175.800 0.464 0.000 1.159 171 F CA -0.620 57.562 58.000 0.302 0.000 1.234 171 F CB 0.703 39.744 39.000 0.070 0.000 1.016 171 F HN 0.705 nan 8.300 nan 0.000 0.510 172 G N 1.148 110.273 108.800 0.541 0.000 2.379 172 G HA2 -0.230 3.721 3.960 -0.016 0.000 0.297 172 G HA3 -0.230 3.721 3.960 -0.016 0.000 0.297 172 G C 0.799 175.988 174.900 0.482 0.000 1.004 172 G CA 0.094 45.468 45.100 0.457 0.000 0.921 172 G HN 0.760 nan 8.290 nan 0.000 0.511 173 G N -0.191 108.948 108.800 0.565 0.000 2.442 173 G HA2 0.579 4.529 3.960 -0.016 0.000 0.249 173 G HA3 0.579 4.529 3.960 -0.016 0.000 0.249 173 G C 0.006 175.045 174.900 0.231 0.000 1.263 173 G CA 0.496 45.854 45.100 0.429 0.000 0.846 173 G HN 0.931 nan 8.290 nan 0.000 0.555 174 D N 0.031 120.477 120.400 0.078 0.000 2.610 174 D HA 0.241 4.871 4.640 -0.016 0.000 0.271 174 D C 1.109 177.349 176.300 -0.099 0.000 1.174 174 D CA -0.940 53.058 54.000 -0.004 0.000 0.949 174 D CB 0.668 41.555 40.800 0.146 0.000 1.430 174 D HN 0.174 nan 8.370 nan 0.000 0.467 175 L N -0.837 120.330 121.223 -0.094 0.000 2.083 175 L HA -0.144 4.186 4.340 -0.016 0.000 0.209 175 L C 2.338 179.213 176.870 0.007 0.000 1.083 175 L CA 1.303 56.103 54.840 -0.067 0.000 0.752 175 L CB -0.422 41.623 42.059 -0.023 0.000 0.899 175 L HN 0.507 nan 8.230 nan 0.000 0.433 176 Q N 0.557 120.371 119.800 0.023 0.000 2.135 176 Q HA -0.160 4.171 4.340 -0.016 0.000 0.204 176 Q C 2.105 178.117 176.000 0.021 0.000 0.981 176 Q CA 1.996 57.810 55.803 0.017 0.000 0.856 176 Q CB -0.707 28.036 28.738 0.008 0.000 0.902 176 Q HN 0.416 nan 8.270 nan 0.000 0.425 177 G N 0.668 109.491 108.800 0.039 0.000 2.476 177 G HA2 -0.267 3.684 3.960 -0.016 0.000 0.218 177 G HA3 -0.267 3.684 3.960 -0.016 0.000 0.218 177 G C 1.464 176.511 174.900 0.245 0.000 1.164 177 G CA 1.192 46.342 45.100 0.083 0.000 0.768 177 G HN 0.450 nan 8.290 nan 0.000 0.560 178 I N 0.626 121.375 120.570 0.298 0.000 2.127 178 I HA -0.199 3.962 4.170 -0.016 0.000 0.241 178 I C 2.741 179.012 176.117 0.258 0.000 1.075 178 I CA 1.030 62.574 61.300 0.407 0.000 1.334 178 I CB -0.375 37.722 38.000 0.163 0.000 1.040 178 I HN 0.158 nan 8.210 nan 0.000 0.405 179 I N 0.871 121.509 120.570 0.114 0.000 2.113 179 I HA -0.364 3.796 4.170 -0.016 0.000 0.242 179 I C 2.125 178.246 176.117 0.007 0.000 1.064 179 I CA 1.597 62.928 61.300 0.051 0.000 1.320 179 I CB -0.685 37.323 38.000 0.014 0.000 1.028 179 I HN 0.285 nan 8.210 nan 0.000 0.406 180 D N -0.234 120.130 120.400 -0.060 0.000 2.228 180 D HA -0.194 4.436 4.640 -0.016 0.000 0.203 180 D C 1.732 177.784 176.300 -0.414 0.000 0.988 180 D CA 1.402 55.249 54.000 -0.255 0.000 0.864 180 D CB -0.274 40.303 40.800 -0.370 0.000 0.928 180 D HN 0.534 nan 8.370 nan 0.000 0.469 181 H N -0.580 118.438 119.070 -0.086 0.000 2.594 181 H HA 0.210 4.756 4.556 -0.016 0.000 0.279 181 H C 2.098 177.518 175.328 0.153 0.000 1.042 181 H CA -0.177 55.830 56.048 -0.068 0.000 1.177 181 H CB 0.734 30.370 29.762 -0.211 0.000 1.524 181 H HN 0.117 nan 8.280 nan 0.000 0.537 182 L N 0.467 121.809 121.223 0.197 0.000 2.051 182 L HA -0.238 4.093 4.340 -0.016 0.000 0.214 182 L C 1.944 178.891 176.870 0.127 0.000 1.076 182 L CA 1.385 56.321 54.840 0.160 0.000 0.758 182 L CB -0.246 41.862 42.059 0.081 0.000 0.890 182 L HN 0.218 nan 8.230 nan 0.000 0.433 183 D N -0.799 119.656 120.400 0.092 0.000 2.149 183 D HA -0.252 4.379 4.640 -0.016 0.000 0.198 183 D C 1.921 178.302 176.300 0.135 0.000 0.990 183 D CA 1.447 55.491 54.000 0.072 0.000 0.839 183 D CB -0.188 40.630 40.800 0.031 0.000 0.948 183 D HN 0.395 nan 8.370 nan 0.000 0.460 184 Y N 1.811 122.168 120.300 0.096 0.000 2.165 184 Y HA -0.202 4.339 4.550 -0.015 0.000 0.286 184 Y C 2.164 178.140 175.900 0.127 0.000 1.155 184 Y CA 1.342 59.544 58.100 0.169 0.000 1.164 184 Y CB -0.418 38.237 38.460 0.326 0.000 0.978 184 Y HN -0.087 nan 8.280 nan 0.000 0.513 185 L N -1.358 119.883 121.223 0.031 0.000 2.095 185 L HA -0.144 4.186 4.340 -0.016 0.000 0.204 185 L C 2.354 179.146 176.870 -0.130 0.000 1.080 185 L CA 0.885 55.617 54.840 -0.180 0.000 0.759 185 L CB -0.793 41.210 42.059 -0.094 0.000 0.914 185 L HN 0.046 nan 8.230 nan 0.000 0.439 186 V N 0.451 120.340 119.914 -0.042 0.000 2.568 186 V HA -0.316 3.795 4.120 -0.016 0.000 0.253 186 V C 2.139 178.203 176.094 -0.049 0.000 1.072 186 V CA 2.160 64.437 62.300 -0.037 0.000 1.084 186 V CB -0.583 31.234 31.823 -0.010 0.000 0.676 186 V HN 0.524 nan 8.190 nan 0.000 0.469 187 D N -0.363 120.004 120.400 -0.055 0.000 2.137 187 D HA -0.127 4.504 4.640 -0.016 0.000 0.202 187 D C 1.922 178.179 176.300 -0.071 0.000 0.970 187 D CA 0.759 54.734 54.000 -0.042 0.000 0.837 187 D CB -0.094 40.703 40.800 -0.005 0.000 0.981 187 D HN 0.251 nan 8.370 nan 0.000 0.475 188 L N -0.339 120.778 121.223 -0.176 0.000 2.083 188 L HA 0.140 4.470 4.340 -0.016 0.000 0.209 188 L C 1.843 178.625 176.870 -0.146 0.000 1.083 188 L CA 2.322 57.024 54.840 -0.230 0.000 0.752 188 L CB -0.348 41.448 42.059 -0.438 0.000 0.899 188 L HN 0.409 nan 8.230 nan 0.000 0.433 189 G N -2.384 106.346 108.800 -0.117 0.000 2.273 189 G HA2 -0.134 3.817 3.960 -0.016 0.000 0.162 189 G HA3 -0.134 3.817 3.960 -0.016 0.000 0.162 189 G C 0.138 174.999 174.900 -0.065 0.000 1.006 189 G CA -0.084 44.970 45.100 -0.075 0.000 0.704 189 G HN 0.107 nan 8.290 nan 0.000 0.487 190 I N 2.963 123.488 120.570 -0.074 0.000 2.821 190 I HA 0.159 4.320 4.170 -0.016 0.000 0.294 190 I C 1.680 177.761 176.117 -0.060 0.000 1.210 190 I CA 1.883 63.161 61.300 -0.037 0.000 1.430 190 I CB 0.299 38.271 38.000 -0.046 0.000 1.356 190 I HN 0.374 nan 8.210 nan 0.000 0.563 191 T N 1.376 115.872 114.554 -0.096 0.000 3.091 191 T HA 0.465 4.806 4.350 -0.016 0.000 0.277 191 T C 0.457 175.000 174.700 -0.262 0.000 0.996 191 T CA -0.132 61.879 62.100 -0.148 0.000 0.897 191 T CB 0.341 69.121 68.868 -0.146 0.000 1.109 191 T HN 0.820 nan 8.240 nan 0.000 0.534 192 G N 0.911 109.551 108.800 -0.266 0.000 2.760 192 G HA2 0.606 4.557 3.960 -0.016 0.000 0.296 192 G HA3 0.606 4.557 3.960 -0.016 0.000 0.296 192 G C -1.537 173.451 174.900 0.145 0.000 1.427 192 G CA -0.779 44.050 45.100 -0.453 0.000 1.109 192 G HN 0.371 nan 8.290 nan 0.000 0.553 193 I N 2.337 123.116 120.570 0.349 0.000 2.389 193 I HA 0.292 4.453 4.170 -0.016 0.000 0.288 193 I C -1.055 175.435 176.117 0.622 0.000 0.999 193 I CA -1.046 60.530 61.300 0.459 0.000 1.129 193 I CB 1.986 40.116 38.000 0.217 0.000 1.288 193 I HN 0.581 nan 8.210 nan 0.000 0.444 194 Y N 8.055 128.622 120.300 0.445 0.000 2.331 194 Y HA 0.655 5.196 4.550 -0.015 0.000 0.338 194 Y C -1.505 174.421 175.900 0.045 0.000 0.976 194 Y CA -1.026 57.196 58.100 0.203 0.000 1.137 194 Y CB 0.913 39.438 38.460 0.108 0.000 1.172 194 Y HN 0.383 nan 8.280 nan 0.000 0.478 195 L N 6.247 127.324 121.223 -0.242 0.000 2.325 195 L HA 0.502 4.832 4.340 -0.016 0.000 0.278 195 L C 0.711 177.228 176.870 -0.589 0.000 1.023 195 L CA -0.979 53.580 54.840 -0.468 0.000 0.811 195 L CB 2.076 43.948 42.059 -0.312 0.000 1.249 195 L HN 0.830 nan 8.230 nan 0.000 0.431 196 T N -0.153 114.043 114.554 -0.596 0.000 2.729 196 T HA 0.304 4.644 4.350 -0.016 0.000 0.298 196 T C -2.467 171.966 174.700 -0.445 0.000 1.013 196 T CA -1.577 60.249 62.100 -0.457 0.000 0.957 196 T CB 0.217 68.879 68.868 -0.342 0.000 1.130 196 T HN 0.253 nan 8.240 nan 0.000 0.526 197 P HA 0.115 nan 4.420 nan 0.000 0.264 197 P C 0.301 177.350 177.300 -0.419 0.000 1.179 197 P CA 0.281 63.052 63.100 -0.549 0.000 0.763 197 P CB 0.049 31.378 31.700 -0.620 0.000 0.806 198 I N -2.445 117.784 120.570 -0.569 0.000 4.310 198 I HA 0.325 4.485 4.170 -0.016 0.000 0.328 198 I C -0.437 175.551 176.117 -0.215 0.000 1.406 198 I CA -0.268 60.895 61.300 -0.230 0.000 1.174 198 I CB 0.134 37.971 38.000 -0.272 0.000 1.279 198 I HN -0.081 nan 8.210 nan 0.000 0.471 199 F N 1.984 121.842 119.950 -0.154 0.000 2.370 199 F HA 0.488 5.005 4.527 -0.016 0.000 0.319 199 F C 1.215 176.939 175.800 -0.126 0.000 1.129 199 F CA -1.201 56.721 58.000 -0.130 0.000 1.109 199 F CB 0.250 39.164 39.000 -0.144 0.000 1.262 199 F HN -0.037 nan 8.300 nan 0.000 0.534 200 R N 1.107 121.703 120.500 0.160 0.000 2.486 200 R HA 0.240 4.571 4.340 -0.016 0.000 0.303 200 R C -0.676 175.634 176.300 0.017 0.000 0.958 200 R CA 0.579 56.716 56.100 0.060 0.000 1.077 200 R CB -0.114 30.250 30.300 0.108 0.000 0.921 200 R HN 0.664 nan 8.270 nan 0.000 0.406 201 S N 4.833 120.509 115.700 -0.041 0.000 2.584 201 S HA 0.275 4.736 4.470 -0.016 0.000 0.280 201 S C -2.046 172.525 174.600 -0.048 0.000 1.162 201 S CA -1.297 56.886 58.200 -0.028 0.000 0.951 201 S CB 1.760 64.936 63.200 -0.041 0.000 1.108 201 S HN 0.599 nan 8.310 nan 0.000 0.464 202 P HA -0.097 nan 4.420 nan 0.000 0.218 202 P C 0.758 178.076 177.300 0.030 0.000 1.146 202 P CA 0.998 64.100 63.100 0.002 0.000 0.813 202 P CB -0.253 31.472 31.700 0.041 0.000 0.778 203 S N 0.785 116.452 115.700 -0.056 0.000 2.661 203 S HA 0.144 4.604 4.470 -0.016 0.000 0.265 203 S C 1.137 175.649 174.600 -0.147 0.000 1.225 203 S CA -0.415 57.668 58.200 -0.194 0.000 0.986 203 S CB 0.061 62.840 63.200 -0.701 0.000 1.008 203 S HN 0.112 nan 8.310 nan 0.000 0.565 204 N N -0.310 118.143 118.700 -0.412 0.000 2.280 204 N HA 0.021 4.752 4.740 -0.016 0.000 0.192 204 N C 0.635 176.058 175.510 -0.146 0.000 1.109 204 N CA 0.536 53.313 53.050 -0.455 0.000 0.855 204 N CB -0.721 37.139 38.487 -1.044 0.000 0.974 204 N HN 0.938 nan 8.380 nan 0.000 0.482 205 H N -1.667 117.422 119.070 0.033 0.000 3.017 205 H HA 0.438 4.985 4.556 -0.015 0.000 0.255 205 H C 0.187 175.461 175.328 -0.090 0.000 0.990 205 H CA -0.197 55.929 56.048 0.129 0.000 1.205 205 H CB 0.232 30.313 29.762 0.533 0.000 1.460 205 H HN -0.141 nan 8.280 nan 0.000 0.478 206 K N -0.623 119.823 120.400 0.076 0.000 3.209 206 K HA -0.230 4.081 4.320 -0.016 0.000 0.289 206 K C -0.383 176.249 176.600 0.054 0.000 1.191 206 K CA 0.882 57.165 56.287 -0.007 0.000 0.851 206 K CB -2.733 29.653 32.500 -0.191 0.000 1.242 206 K HN 0.510 nan 8.250 nan 0.000 0.480 207 Y N 0.795 121.406 120.300 0.517 0.000 2.546 207 Y HA -0.009 4.531 4.550 -0.016 0.000 0.287 207 Y C 0.630 176.649 175.900 0.198 0.000 1.158 207 Y CA 0.723 58.935 58.100 0.186 0.000 1.307 207 Y CB 0.296 38.723 38.460 -0.055 0.000 1.036 207 Y HN 0.182 nan 8.280 nan 0.000 0.532 208 D N -0.596 120.019 120.400 0.358 0.000 2.514 208 D HA 0.097 4.727 4.640 -0.016 0.000 0.267 208 D C -0.185 176.191 176.300 0.127 0.000 1.165 208 D CA -0.301 53.859 54.000 0.266 0.000 0.958 208 D CB -0.053 40.917 40.800 0.284 0.000 0.992 208 D HN -0.128 nan 8.370 nan 0.000 0.506 209 T N 0.652 115.217 114.554 0.018 0.000 2.946 209 T HA 0.279 4.619 4.350 -0.016 0.000 0.312 209 T C 1.257 175.945 174.700 -0.019 0.000 1.066 209 T CA 0.336 62.348 62.100 -0.146 0.000 1.138 209 T CB 1.355 69.832 68.868 -0.651 0.000 1.014 209 T HN 0.536 nan 8.240 nan 0.000 0.544 210 A N 1.785 124.633 122.820 0.047 0.000 2.070 210 A HA 0.350 4.661 4.320 -0.016 0.000 0.202 210 A C 0.631 178.426 177.584 0.352 0.000 1.277 210 A CA 0.047 52.215 52.037 0.219 0.000 0.872 210 A CB 0.513 19.603 19.000 0.151 0.000 0.933 210 A HN 0.717 nan 8.150 nan 0.000 0.475 211 D N -1.788 118.747 120.400 0.224 0.000 2.333 211 D HA 0.259 4.889 4.640 -0.016 0.000 0.225 211 D C -0.569 175.857 176.300 0.210 0.000 1.345 211 D CA -0.501 53.712 54.000 0.355 0.000 0.971 211 D CB -0.010 40.965 40.800 0.292 0.000 1.451 211 D HN 0.084 nan 8.370 nan 0.000 0.561 212 Y N 1.719 122.157 120.300 0.230 0.000 2.569 212 Y HA 0.016 4.556 4.550 -0.016 0.000 0.293 212 Y C 1.463 177.070 175.900 -0.488 0.000 1.144 212 Y CA 0.882 58.878 58.100 -0.173 0.000 1.321 212 Y CB -0.179 38.178 38.460 -0.172 0.000 0.982 212 Y HN 0.383 nan 8.280 nan 0.000 0.558 213 F N -0.798 119.232 119.950 0.134 0.000 2.664 213 F HA 0.207 4.724 4.527 -0.016 0.000 0.303 213 F C 0.425 176.299 175.800 0.124 0.000 1.092 213 F CA -0.093 57.882 58.000 -0.042 0.000 1.305 213 F CB 0.483 39.332 39.000 -0.252 0.000 1.054 213 F HN -0.217 nan 8.300 nan 0.000 0.565 214 E N 0.951 121.355 120.200 0.340 0.000 2.199 214 E HA 0.315 4.656 4.350 -0.016 0.000 0.265 214 E C -0.628 176.204 176.600 0.388 0.000 0.882 214 E CA -0.511 56.098 56.400 0.348 0.000 0.759 214 E CB 2.781 32.627 29.700 0.244 0.000 1.148 214 E HN -0.236 nan 8.360 nan 0.000 0.412 215 V N 2.672 122.843 119.914 0.429 0.000 2.521 215 V HA -0.040 4.070 4.120 -0.016 0.000 0.286 215 V C 0.595 176.817 176.094 0.213 0.000 1.034 215 V CA -0.310 62.194 62.300 0.339 0.000 1.045 215 V CB 0.613 32.610 31.823 0.289 0.000 0.974 215 V HN 0.612 nan 8.190 nan 0.000 0.480 216 D N 7.748 128.222 120.400 0.123 0.000 2.586 216 D HA 0.002 4.632 4.640 -0.016 0.000 0.234 216 D C -0.892 175.441 176.300 0.056 0.000 1.132 216 D CA -0.705 53.292 54.000 -0.005 0.000 0.860 216 D CB 1.086 41.673 40.800 -0.354 0.000 1.159 216 D HN 0.333 nan 8.370 nan 0.000 0.490 217 P HA -0.220 nan 4.420 nan 0.000 0.216 217 P C 0.505 177.768 177.300 -0.062 0.000 1.153 217 P CA 1.567 64.653 63.100 -0.023 0.000 0.858 217 P CB -0.040 31.583 31.700 -0.128 0.000 0.789 218 H N -2.510 116.545 119.070 -0.025 0.000 2.561 218 H HA 0.033 4.580 4.556 -0.016 0.000 0.278 218 H C 1.411 176.912 175.328 0.289 0.000 1.014 218 H CA 0.718 56.794 56.048 0.047 0.000 1.211 218 H CB -0.595 29.133 29.762 -0.055 0.000 1.365 218 H HN 0.158 nan 8.280 nan 0.000 0.594 219 F N -0.933 119.091 119.950 0.124 0.000 2.559 219 F HA 0.437 4.955 4.527 -0.016 0.000 0.286 219 F C 1.616 177.447 175.800 0.053 0.000 1.108 219 F CA 0.873 58.916 58.000 0.073 0.000 1.436 219 F CB 0.270 39.283 39.000 0.023 0.000 1.130 219 F HN 0.262 nan 8.300 nan 0.000 0.584 220 G N -0.228 108.722 108.800 0.250 0.000 2.373 220 G HA2 0.288 4.239 3.960 -0.016 0.000 0.250 220 G HA3 0.288 4.239 3.960 -0.016 0.000 0.250 220 G C -2.102 172.889 174.900 0.151 0.000 1.304 220 G CA -0.270 44.925 45.100 0.159 0.000 0.948 220 G HN 0.170 nan 8.290 nan 0.000 0.474 221 D N -1.131 119.362 120.400 0.155 0.000 2.559 221 D HA 0.587 5.217 4.640 -0.016 0.000 0.250 221 D C 1.010 177.456 176.300 0.242 0.000 1.135 221 D CA -0.754 53.357 54.000 0.185 0.000 0.955 221 D CB 1.321 42.211 40.800 0.151 0.000 1.442 221 D HN 0.339 nan 8.370 nan 0.000 0.471 222 K N 0.271 120.863 120.400 0.321 0.000 2.052 222 K HA -0.294 4.017 4.320 -0.016 0.000 0.215 222 K C 1.594 178.479 176.600 0.474 0.000 1.053 222 K CA 1.931 58.508 56.287 0.483 0.000 0.934 222 K CB -0.301 32.547 32.500 0.580 0.000 0.717 222 K HN 0.736 nan 8.250 nan 0.000 0.450 223 E N 0.282 120.668 120.200 0.311 0.000 2.086 223 E HA -0.191 4.149 4.350 -0.016 0.000 0.200 223 E C 1.712 178.430 176.600 0.197 0.000 1.012 223 E CA 1.972 58.506 56.400 0.223 0.000 0.812 223 E CB 0.027 29.813 29.700 0.142 0.000 0.743 223 E HN 0.286 nan 8.360 nan 0.000 0.453 224 T N 1.275 115.931 114.554 0.171 0.000 2.833 224 T HA -0.150 4.191 4.350 -0.016 0.000 0.269 224 T C 1.717 176.497 174.700 0.133 0.000 1.054 224 T CA 0.975 63.151 62.100 0.127 0.000 1.135 224 T CB -0.181 68.750 68.868 0.106 0.000 0.869 224 T HN 0.118 nan 8.240 nan 0.000 0.466 225 L N 1.007 122.340 121.223 0.182 0.000 2.056 225 L HA 0.063 4.394 4.340 -0.016 0.000 0.207 225 L C 2.268 179.273 176.870 0.226 0.000 1.078 225 L CA 1.727 56.655 54.840 0.146 0.000 0.749 225 L CB -0.457 41.638 42.059 0.059 0.000 0.901 225 L HN -0.094 nan 8.230 nan 0.000 0.433 226 K N -0.622 120.005 120.400 0.379 0.000 2.001 226 K HA -0.233 4.078 4.320 -0.016 0.000 0.214 226 K C 2.230 178.900 176.600 0.117 0.000 1.050 226 K CA 2.094 58.556 56.287 0.293 0.000 0.934 226 K CB -1.027 31.591 32.500 0.197 0.000 0.718 226 K HN 0.513 nan 8.250 nan 0.000 0.443 227 T N 1.428 116.039 114.554 0.094 0.000 2.737 227 T HA -0.182 4.158 4.350 -0.016 0.000 0.269 227 T C 1.971 176.684 174.700 0.021 0.000 1.040 227 T CA 1.594 63.721 62.100 0.044 0.000 1.142 227 T CB -0.208 68.686 68.868 0.044 0.000 0.861 227 T HN 0.174 nan 8.240 nan 0.000 0.456 228 L N 0.458 121.699 121.223 0.031 0.000 2.017 228 L HA 0.153 4.484 4.340 -0.016 0.000 0.208 228 L C 2.322 179.171 176.870 -0.035 0.000 1.073 228 L CA 1.723 56.567 54.840 0.006 0.000 0.745 228 L CB -0.590 41.472 42.059 0.006 0.000 0.894 228 L HN 0.412 nan 8.230 nan 0.000 0.432 229 I N -0.387 120.152 120.570 -0.052 0.000 2.286 229 I HA -0.215 3.945 4.170 -0.016 0.000 0.245 229 I C 1.989 177.910 176.117 -0.327 0.000 1.104 229 I CA 1.166 62.349 61.300 -0.194 0.000 1.397 229 I CB -0.593 37.316 38.000 -0.152 0.000 1.072 229 I HN 0.264 nan 8.210 nan 0.000 0.417 230 D N 0.633 120.936 120.400 -0.161 0.000 2.144 230 D HA -0.178 4.452 4.640 -0.016 0.000 0.199 230 D C 2.237 178.513 176.300 -0.039 0.000 0.984 230 D CA 1.066 55.008 54.000 -0.096 0.000 0.834 230 D CB -0.203 40.584 40.800 -0.022 0.000 0.955 230 D HN 0.060 nan 8.370 nan 0.000 0.465 231 R N 0.296 120.776 120.500 -0.033 0.000 2.115 231 R HA 0.004 4.335 4.340 -0.016 0.000 0.230 231 R C 2.228 178.527 176.300 -0.002 0.000 1.111 231 R CA 0.632 56.727 56.100 -0.009 0.000 0.976 231 R CB -0.918 29.379 30.300 -0.005 0.000 0.870 231 R HN 0.162 nan 8.270 nan 0.000 0.445 232 C N -0.517 118.767 119.300 -0.027 0.000 2.440 232 C HA -0.050 4.401 4.460 -0.016 0.000 0.278 232 C C 2.310 177.346 174.990 0.077 0.000 1.295 232 C CA 0.603 59.621 59.018 0.001 0.000 1.738 232 C CB -1.024 26.697 27.740 -0.031 0.000 1.987 232 C HN 0.525 nan 8.230 nan 0.000 0.492 233 H N 1.167 120.212 119.070 -0.042 0.000 2.387 233 H HA -0.091 4.455 4.556 -0.015 0.000 0.299 233 H C 2.257 177.547 175.328 -0.064 0.000 1.090 233 H CA 1.823 57.830 56.048 -0.068 0.000 1.332 233 H CB -0.628 29.097 29.762 -0.061 0.000 1.386 233 H HN 0.731 nan 8.280 nan 0.000 0.516 234 E N 0.465 120.717 120.200 0.087 0.000 2.347 234 E HA -0.083 4.258 4.350 -0.016 0.000 0.196 234 E C 0.921 177.523 176.600 0.004 0.000 1.008 234 E CA 0.641 57.057 56.400 0.027 0.000 0.852 234 E CB 0.118 29.829 29.700 0.018 0.000 0.783 234 E HN 0.108 nan 8.360 nan 0.000 0.505 235 K N 0.648 121.054 120.400 0.009 0.000 2.410 235 K HA 0.119 4.430 4.320 -0.016 0.000 0.200 235 K C 0.754 177.342 176.600 -0.020 0.000 1.023 235 K CA 0.523 56.806 56.287 -0.006 0.000 1.149 235 K CB 0.618 33.119 32.500 0.001 0.000 0.859 235 K HN 0.324 nan 8.250 nan 0.000 0.514 236 G N 2.118 110.902 108.800 -0.026 0.000 2.323 236 G HA2 -0.263 3.688 3.960 -0.016 0.000 0.292 236 G HA3 -0.263 3.688 3.960 -0.016 0.000 0.292 236 G C -0.026 174.826 174.900 -0.080 0.000 1.040 236 G CA 0.117 45.178 45.100 -0.065 0.000 0.942 236 G HN 0.345 nan 8.290 nan 0.000 0.506 237 I N 0.118 120.664 120.570 -0.041 0.000 2.433 237 I HA 0.427 4.588 4.170 -0.016 0.000 0.292 237 I C 0.575 176.669 176.117 -0.038 0.000 1.001 237 I CA -1.129 60.135 61.300 -0.059 0.000 1.119 237 I CB 1.396 39.386 38.000 -0.016 0.000 1.289 237 I HN -0.005 nan 8.210 nan 0.000 0.438 238 R N 4.582 124.985 120.500 -0.162 0.000 2.459 238 R HA 0.571 4.901 4.340 -0.016 0.000 0.281 238 R C -0.916 175.428 176.300 0.074 0.000 1.050 238 R CA -0.682 55.329 56.100 -0.148 0.000 1.055 238 R CB 1.766 31.790 30.300 -0.461 0.000 1.045 238 R HN 0.291 nan 8.270 nan 0.000 0.495 239 V N 3.898 123.918 119.914 0.177 0.000 2.448 239 V HA 0.403 4.513 4.120 -0.016 0.000 0.295 239 V C -0.099 176.167 176.094 0.288 0.000 1.025 239 V CA -0.667 61.763 62.300 0.217 0.000 0.859 239 V CB 1.700 33.560 31.823 0.061 0.000 0.988 239 V HN 0.682 nan 8.190 nan 0.000 0.431 240 M N 6.365 126.188 119.600 0.371 0.000 2.190 240 M HA 0.613 5.084 4.480 -0.016 0.000 0.312 240 M C -1.745 174.612 176.300 0.095 0.000 0.990 240 M CA -0.387 55.057 55.300 0.240 0.000 0.927 240 M CB 1.355 34.097 32.600 0.236 0.000 1.571 240 M HN 0.507 nan 8.290 nan 0.000 0.427 241 L N 2.935 124.098 121.223 -0.100 0.000 2.360 241 L HA 0.465 4.796 4.340 -0.016 0.000 0.271 241 L C -0.214 176.682 176.870 0.044 0.000 1.057 241 L CA -0.724 54.014 54.840 -0.169 0.000 0.803 241 L CB 1.223 43.015 42.059 -0.446 0.000 1.207 241 L HN 0.639 nan 8.230 nan 0.000 0.445 242 D N 1.855 122.258 120.400 0.006 0.000 2.317 242 D HA 0.447 5.078 4.640 -0.016 0.000 0.234 242 D C -0.797 175.553 176.300 0.084 0.000 1.112 242 D CA -0.166 53.888 54.000 0.089 0.000 0.840 242 D CB 1.730 42.560 40.800 0.050 0.000 1.078 242 D HN 0.533 nan 8.370 nan 0.000 0.486 243 A N 3.806 126.702 122.820 0.127 0.000 2.271 243 A HA 0.485 4.796 4.320 -0.016 0.000 0.317 243 A C -0.471 176.989 177.584 -0.206 0.000 1.245 243 A CA -0.697 51.309 52.037 -0.051 0.000 0.857 243 A CB 1.052 19.669 19.000 -0.638 0.000 1.175 243 A HN 0.375 nan 8.150 nan 0.000 0.512 244 V N 4.281 124.245 119.914 0.083 0.000 2.284 244 V HA 0.198 4.308 4.120 -0.016 0.000 0.260 244 V C -0.040 176.266 176.094 0.353 0.000 1.084 244 V CA 0.008 62.354 62.300 0.076 0.000 0.894 244 V CB -0.492 31.342 31.823 0.019 0.000 1.119 244 V HN 0.860 nan 8.190 nan 0.000 0.484 245 F N 2.127 122.065 119.950 -0.020 0.000 2.717 245 F HA 0.145 4.662 4.527 -0.016 0.000 0.295 245 F C 1.991 177.682 175.800 -0.182 0.000 1.117 245 F CA -0.136 57.781 58.000 -0.138 0.000 1.361 245 F CB -0.757 38.107 39.000 -0.226 0.000 1.112 245 F HN 0.499 nan 8.300 nan 0.000 0.594 246 N N 0.017 118.743 118.700 0.044 0.000 2.188 246 N HA -0.140 4.591 4.740 -0.016 0.000 0.184 246 N C 0.346 175.953 175.510 0.162 0.000 1.018 246 N CA 1.201 54.298 53.050 0.078 0.000 0.858 246 N CB 0.008 38.603 38.487 0.180 0.000 0.989 246 N HN 0.343 nan 8.380 nan 0.000 0.426 247 H N -2.727 116.444 119.070 0.168 0.000 2.985 247 H HA 0.472 5.019 4.556 -0.016 0.000 0.360 247 H C -0.417 175.021 175.328 0.183 0.000 1.221 247 H CA -0.925 55.234 56.048 0.185 0.000 1.121 247 H CB 0.641 30.522 29.762 0.199 0.000 1.854 247 H HN 0.221 nan 8.280 nan 0.000 0.551 248 C N 0.458 119.940 119.300 0.304 0.000 2.711 248 C HA 0.975 5.426 4.460 -0.016 0.000 0.410 248 C C 0.777 175.891 174.990 0.207 0.000 1.553 248 C CA -0.132 58.982 59.018 0.160 0.000 1.759 248 C CB 0.999 28.735 27.740 -0.006 0.000 2.077 248 C HN 1.042 nan 8.230 nan 0.000 0.483 249 G N -1.564 107.339 108.800 0.172 0.000 2.432 249 G HA2 0.460 4.411 3.960 -0.016 0.000 0.331 249 G HA3 0.460 4.411 3.960 -0.016 0.000 0.331 249 G C -0.392 174.625 174.900 0.195 0.000 1.170 249 G CA -0.392 44.823 45.100 0.193 0.000 0.943 249 G HN 0.937 nan 8.290 nan 0.000 0.483 250 Y N 0.087 120.410 120.300 0.039 0.000 2.348 250 Y HA -0.177 4.364 4.550 -0.016 0.000 0.285 250 Y C 2.325 178.331 175.900 0.178 0.000 1.173 250 Y CA 2.188 60.333 58.100 0.074 0.000 1.263 250 Y CB 0.355 38.835 38.460 0.033 0.000 0.974 250 Y HN 0.649 nan 8.280 nan 0.000 0.547 251 E N -1.064 119.254 120.200 0.197 0.000 2.479 251 E HA -0.035 4.306 4.350 -0.016 0.000 0.193 251 E C -0.280 176.431 176.600 0.185 0.000 1.049 251 E CA -0.448 56.030 56.400 0.129 0.000 0.870 251 E CB -0.096 29.690 29.700 0.143 0.000 0.944 251 E HN 0.188 nan 8.360 nan 0.000 0.492 252 F N 1.442 121.446 119.950 0.089 0.000 2.557 252 F HA 0.030 4.548 4.527 -0.015 0.000 0.384 252 F C 1.226 177.068 175.800 0.070 0.000 1.057 252 F CA -0.230 57.849 58.000 0.131 0.000 1.169 252 F CB 0.379 39.526 39.000 0.245 0.000 1.070 252 F HN -0.052 nan 8.300 nan 0.000 0.554 253 A N 7.544 130.173 122.820 -0.318 0.000 1.909 253 A HA -0.238 4.072 4.320 -0.016 0.000 0.221 253 A C -0.428 176.795 177.584 -0.602 0.000 1.223 253 A CA 2.303 54.080 52.037 -0.434 0.000 0.658 253 A CB -2.166 16.574 19.000 -0.433 0.000 0.831 253 A HN 0.698 nan 8.150 nan 0.000 0.462 254 P HA -0.156 nan 4.420 nan 0.000 0.216 254 P C 1.419 178.621 177.300 -0.165 0.000 1.150 254 P CA 1.261 63.770 63.100 -0.984 0.000 0.843 254 P CB -0.132 30.822 31.700 -1.243 0.000 0.787 255 F N 0.323 120.242 119.950 -0.053 0.000 2.128 255 F HA -0.144 4.374 4.527 -0.015 0.000 0.295 255 F C 2.294 177.946 175.800 -0.247 0.000 1.100 255 F CA 1.461 59.304 58.000 -0.263 0.000 1.260 255 F CB -0.814 37.952 39.000 -0.389 0.000 1.009 255 F HN -0.191 nan 8.300 nan 0.000 0.476 256 Q N 0.307 119.976 119.800 -0.219 0.000 2.112 256 Q HA -0.299 4.032 4.340 -0.016 0.000 0.206 256 Q C 1.924 177.805 176.000 -0.199 0.000 0.987 256 Q CA 2.273 57.901 55.803 -0.291 0.000 0.858 256 Q CB -0.862 27.749 28.738 -0.213 0.000 0.905 256 Q HN 0.551 nan 8.270 nan 0.000 0.420 257 D N -0.665 119.623 120.400 -0.187 0.000 2.104 257 D HA -0.129 4.501 4.640 -0.016 0.000 0.194 257 D C 1.866 178.112 176.300 -0.090 0.000 0.994 257 D CA 1.220 55.153 54.000 -0.113 0.000 0.830 257 D CB 0.177 40.925 40.800 -0.087 0.000 0.959 257 D HN 0.034 nan 8.370 nan 0.000 0.452 258 V N 0.358 120.205 119.914 -0.112 0.000 2.490 258 V HA -0.167 3.943 4.120 -0.016 0.000 0.250 258 V C 1.867 177.852 176.094 -0.180 0.000 1.061 258 V CA 1.157 63.402 62.300 -0.092 0.000 1.064 258 V CB -0.632 31.169 31.823 -0.036 0.000 0.670 258 V HN 0.519 nan 8.190 nan 0.000 0.461 259 W N 0.658 121.663 121.300 -0.493 0.000 2.961 259 W HA -0.013 4.638 4.660 -0.016 0.000 0.240 259 W C 1.578 177.967 176.519 -0.217 0.000 1.305 259 W CA 0.719 57.806 57.345 -0.430 0.000 1.465 259 W CB 0.223 29.324 29.460 -0.599 0.000 1.135 259 W HN 0.240 nan 8.180 nan 0.000 0.688 260 K N -0.600 119.739 120.400 -0.102 0.000 2.403 260 K HA 0.096 4.407 4.320 -0.016 0.000 0.199 260 K C 0.787 177.314 176.600 -0.120 0.000 1.199 260 K CA 0.559 56.794 56.287 -0.088 0.000 0.924 260 K CB -0.474 32.010 32.500 -0.025 0.000 1.137 260 K HN 0.112 nan 8.250 nan 0.000 0.510 261 N N 1.473 120.100 118.700 -0.122 0.000 2.328 261 N HA 0.097 4.828 4.740 -0.016 0.000 0.247 261 N C 0.937 176.329 175.510 -0.198 0.000 1.165 261 N CA 0.532 53.502 53.050 -0.134 0.000 0.873 261 N CB 1.171 39.594 38.487 -0.108 0.000 1.125 261 N HN 0.166 nan 8.380 nan 0.000 0.513 262 G N 2.769 111.445 108.800 -0.207 0.000 2.627 262 G HA2 -0.418 3.532 3.960 -0.016 0.000 0.400 262 G HA3 -0.418 3.532 3.960 -0.016 0.000 0.400 262 G C 0.817 175.257 174.900 -0.767 0.000 1.334 262 G CA 0.947 45.868 45.100 -0.297 0.000 0.960 262 G HN 0.418 nan 8.290 nan 0.000 0.533 263 E N 0.365 119.830 120.200 -1.225 0.000 2.333 263 E HA -0.138 4.202 4.350 -0.016 0.000 0.200 263 E C 2.656 178.923 176.600 -0.554 0.000 1.010 263 E CA 1.651 57.285 56.400 -1.276 0.000 0.841 263 E CB -0.225 29.023 29.700 -0.753 0.000 0.757 263 E HN 0.559 nan 8.360 nan 0.000 0.508 264 S N -0.594 114.883 115.700 -0.371 0.000 2.528 264 S HA 0.027 4.487 4.470 -0.016 0.000 0.219 264 S C 0.983 175.469 174.600 -0.190 0.000 0.985 264 S CA 0.002 58.068 58.200 -0.223 0.000 0.914 264 S CB 0.312 63.414 63.200 -0.163 0.000 0.776 264 S HN 0.095 nan 8.310 nan 0.000 0.526 265 S N 1.863 117.438 115.700 -0.208 0.000 2.563 265 S HA 0.053 4.514 4.470 -0.016 0.000 0.294 265 S C 0.887 175.412 174.600 -0.125 0.000 1.279 265 S CA -0.272 57.856 58.200 -0.120 0.000 1.069 265 S CB 0.513 63.679 63.200 -0.056 0.000 0.828 265 S HN 0.587 nan 8.310 nan 0.000 0.497 266 K N 3.347 123.637 120.400 -0.184 0.000 2.574 266 K HA -0.022 4.289 4.320 -0.016 0.000 0.193 266 K C -0.202 176.050 176.600 -0.579 0.000 1.035 266 K CA 1.083 57.145 56.287 -0.374 0.000 0.982 266 K CB -0.016 32.187 32.500 -0.496 0.000 0.795 266 K HN 0.834 nan 8.250 nan 0.000 0.491 267 Y N -0.529 119.689 120.300 -0.137 0.000 2.626 267 Y HA 0.107 4.647 4.550 -0.016 0.000 0.248 267 Y C 0.920 176.891 175.900 0.118 0.000 1.147 267 Y CA -0.555 57.426 58.100 -0.198 0.000 1.219 267 Y CB 0.658 38.860 38.460 -0.430 0.000 1.279 267 Y HN 0.016 nan 8.280 nan 0.000 0.541 268 K N -0.628 119.928 120.400 0.259 0.000 2.442 268 K HA -0.142 4.168 4.320 -0.016 0.000 0.199 268 K C 0.410 177.274 176.600 0.440 0.000 1.044 268 K CA 1.984 58.511 56.287 0.399 0.000 0.941 268 K CB -0.231 32.412 32.500 0.239 0.000 0.759 268 K HN 0.091 nan 8.250 nan 0.000 0.472 269 D N -1.106 119.505 120.400 0.351 0.000 2.342 269 D HA 0.072 4.703 4.640 -0.016 0.000 0.221 269 D C -0.158 176.289 176.300 0.246 0.000 1.101 269 D CA 0.084 54.243 54.000 0.265 0.000 0.837 269 D CB 0.088 40.998 40.800 0.182 0.000 0.938 269 D HN 0.294 nan 8.370 nan 0.000 0.508 270 W N -0.172 121.065 121.300 -0.104 0.000 3.278 270 W HA 0.307 4.958 4.660 -0.015 0.000 0.308 270 W C -0.395 175.625 176.519 -0.832 0.000 1.253 270 W CA -0.300 56.761 57.345 -0.473 0.000 1.759 270 W CB -0.093 28.997 29.460 -0.616 0.000 1.093 270 W HN -0.184 nan 8.180 nan 0.000 0.648 271 F N -1.789 118.336 119.950 0.292 0.000 2.675 271 F HA 0.336 4.854 4.527 -0.016 0.000 0.324 271 F C 0.427 176.249 175.800 0.037 0.000 1.106 271 F CA -1.487 56.658 58.000 0.242 0.000 0.970 271 F CB 0.763 40.006 39.000 0.404 0.000 1.385 271 F HN -0.309 nan 8.300 nan 0.000 0.489 272 H N 2.372 121.677 119.070 0.391 0.000 2.565 272 H HA 0.415 4.961 4.556 -0.016 0.000 0.231 272 H C -0.516 174.861 175.328 0.082 0.000 1.692 272 H CA 0.016 56.164 56.048 0.167 0.000 1.269 272 H CB -0.030 29.815 29.762 0.137 0.000 1.615 272 H HN 0.250 nan 8.280 nan 0.000 0.554 273 I N 1.193 121.828 120.570 0.108 0.000 2.428 273 I HA 0.020 4.180 4.170 -0.016 0.000 0.289 273 I C 0.949 176.911 176.117 -0.258 0.000 1.019 273 I CA -0.248 61.039 61.300 -0.022 0.000 1.351 273 I CB 1.154 39.049 38.000 -0.175 0.000 1.412 273 I HN 0.467 nan 8.210 nan 0.000 0.513 274 H N 2.412 121.468 119.070 -0.023 0.000 2.516 274 H HA 0.256 4.803 4.556 -0.016 0.000 0.284 274 H C -0.228 175.035 175.328 -0.108 0.000 0.999 274 H CA 0.473 56.507 56.048 -0.025 0.000 1.303 274 H CB 0.487 30.271 29.762 0.037 0.000 1.452 274 H HN 0.491 nan 8.280 nan 0.000 0.530 275 E N -0.605 119.531 120.200 -0.107 0.000 2.366 275 E HA 0.367 4.708 4.350 -0.016 0.000 0.278 275 E C -1.616 174.792 176.600 -0.320 0.000 0.923 275 E CA -0.582 55.740 56.400 -0.129 0.000 0.761 275 E CB 1.796 31.502 29.700 0.010 0.000 1.231 275 E HN -0.065 nan 8.360 nan 0.000 0.443 276 F N 2.158 122.136 119.950 0.047 0.000 2.480 276 F HA 0.565 5.083 4.527 -0.016 0.000 0.329 276 F C -1.516 174.266 175.800 -0.030 0.000 1.091 276 F CA -1.596 56.400 58.000 -0.006 0.000 0.972 276 F CB 0.955 39.946 39.000 -0.017 0.000 1.150 276 F HN 0.279 nan 8.300 nan 0.000 0.467 277 P HA 0.313 nan 4.420 nan 0.000 0.278 277 P C -0.850 176.416 177.300 -0.056 0.000 1.258 277 P CA -0.548 62.599 63.100 0.078 0.000 0.811 277 P CB 0.919 32.561 31.700 -0.097 0.000 1.063 278 L N 0.964 122.092 121.223 -0.159 0.000 2.516 278 L HA 0.038 4.369 4.340 -0.016 0.000 0.288 278 L C 0.996 177.768 176.870 -0.163 0.000 1.246 278 L CA 1.327 56.071 54.840 -0.161 0.000 0.844 278 L CB -0.601 41.290 42.059 -0.280 0.000 1.106 278 L HN 0.375 nan 8.230 nan 0.000 0.509 279 Q N 0.060 120.009 119.800 0.248 0.000 2.391 279 Q HA 0.355 4.686 4.340 -0.016 0.000 0.279 279 Q C 0.048 176.362 176.000 0.524 0.000 1.028 279 Q CA 0.063 56.055 55.803 0.316 0.000 0.836 279 Q CB 2.134 30.970 28.738 0.163 0.000 1.414 279 Q HN 0.758 nan 8.270 nan 0.000 0.397 280 T N -3.347 111.479 114.554 0.453 0.000 2.975 280 T HA 0.250 4.590 4.350 -0.016 0.000 0.257 280 T C 0.079 174.876 174.700 0.161 0.000 1.003 280 T CA -0.029 62.266 62.100 0.325 0.000 0.932 280 T CB 0.590 69.656 68.868 0.330 0.000 1.087 280 T HN 0.260 nan 8.240 nan 0.000 0.512 281 E N 2.160 122.451 120.200 0.152 0.000 2.222 281 E HA 0.352 4.693 4.350 -0.016 0.000 0.267 281 E C -1.864 174.776 176.600 0.066 0.000 0.884 281 E CA -2.307 54.144 56.400 0.086 0.000 0.764 281 E CB 2.255 32.005 29.700 0.083 0.000 1.169 281 E HN 0.048 nan 8.360 nan 0.000 0.413 282 P HA -0.116 nan 4.420 nan 0.000 0.220 282 P C 0.016 177.316 177.300 -0.000 0.000 1.148 282 P CA 1.102 64.208 63.100 0.010 0.000 0.803 282 P CB 0.755 32.449 31.700 -0.009 0.000 0.782 283 R N -1.579 118.923 120.500 0.002 0.000 2.707 283 R HA 0.593 4.924 4.340 -0.016 0.000 0.272 283 R C -3.378 172.920 176.300 -0.003 0.000 1.011 283 R CA -2.412 53.678 56.100 -0.017 0.000 0.893 283 R CB 0.261 30.520 30.300 -0.067 0.000 1.233 283 R HN -0.306 nan 8.270 nan 0.000 0.464 284 P HA -0.007 nan 4.420 nan 0.000 0.262 284 P C -0.538 176.687 177.300 -0.125 0.000 1.182 284 P CA 0.036 63.021 63.100 -0.191 0.000 0.761 284 P CB 0.415 31.703 31.700 -0.686 0.000 0.795 285 N N 1.946 120.714 118.700 0.114 0.000 2.362 285 N HA -0.016 4.715 4.740 -0.016 0.000 0.204 285 N C -0.513 175.220 175.510 0.372 0.000 1.166 285 N CA -0.118 53.040 53.050 0.180 0.000 0.831 285 N CB -0.730 37.866 38.487 0.183 0.000 1.008 285 N HN 0.397 nan 8.380 nan 0.000 0.472 286 Y N -2.876 117.606 120.300 0.303 0.000 2.512 286 Y HA 0.560 5.100 4.550 -0.016 0.000 0.348 286 Y C -0.756 175.351 175.900 0.345 0.000 0.990 286 Y CA -1.935 56.385 58.100 0.367 0.000 1.033 286 Y CB 0.790 39.456 38.460 0.343 0.000 1.259 286 Y HN -0.241 nan 8.280 nan 0.000 0.461 287 D N 2.452 123.124 120.400 0.454 0.000 2.458 287 D HA 0.243 4.874 4.640 -0.016 0.000 0.243 287 D C 0.270 176.720 176.300 0.250 0.000 1.146 287 D CA 0.795 54.964 54.000 0.281 0.000 0.877 287 D CB 1.432 42.383 40.800 0.250 0.000 1.176 287 D HN 0.840 nan 8.370 nan 0.000 0.461 288 T N -1.242 113.357 114.554 0.076 0.000 2.831 288 T HA 0.448 4.789 4.350 -0.016 0.000 0.287 288 T C -0.301 174.380 174.700 -0.032 0.000 1.070 288 T CA -1.023 61.121 62.100 0.073 0.000 1.010 288 T CB 0.949 69.816 68.868 -0.001 0.000 1.264 288 T HN 0.131 nan 8.240 nan 0.000 0.532 289 F N 2.517 122.342 119.950 -0.208 0.000 2.504 289 F HA 0.500 5.017 4.527 -0.016 0.000 0.369 289 F C 1.078 176.675 175.800 -0.338 0.000 1.082 289 F CA 0.434 58.224 58.000 -0.350 0.000 1.216 289 F CB -0.684 37.835 39.000 -0.801 0.000 1.108 289 F HN 1.306 nan 8.300 nan 0.000 0.554 290 A N 5.130 127.244 122.820 -1.178 0.000 5.395 290 A HA -0.346 3.965 4.320 -0.016 0.000 0.324 290 A C 0.496 177.400 177.584 -1.133 0.000 1.813 290 A CA 1.815 53.096 52.037 -1.260 0.000 0.714 290 A CB -1.729 16.510 19.000 -1.268 0.000 1.374 290 A HN 0.959 nan 8.150 nan 0.000 0.390 291 F N -0.692 119.079 119.950 -0.299 0.000 2.855 291 F HA 0.428 4.946 4.527 -0.016 0.000 0.317 291 F C 0.205 175.922 175.800 -0.137 0.000 1.169 291 F CA -0.189 57.697 58.000 -0.190 0.000 1.299 291 F CB 1.098 40.001 39.000 -0.162 0.000 0.962 291 F HN 0.255 nan 8.300 nan 0.000 0.506 292 V N 2.812 122.695 119.914 -0.051 0.000 2.372 292 V HA 0.095 4.206 4.120 -0.016 0.000 0.261 292 V C -1.487 174.633 176.094 0.044 0.000 1.055 292 V CA -1.244 61.069 62.300 0.023 0.000 0.930 292 V CB 1.091 32.961 31.823 0.079 0.000 1.031 292 V HN 0.058 nan 8.190 nan 0.000 0.479 293 P HA -0.163 nan 4.420 nan 0.000 0.215 293 P C 1.391 178.804 177.300 0.188 0.000 1.153 293 P CA 0.975 64.143 63.100 0.114 0.000 0.853 293 P CB 0.210 31.960 31.700 0.082 0.000 0.788 294 Q N -1.509 118.347 119.800 0.094 0.000 2.368 294 Q HA -0.027 4.304 4.340 -0.016 0.000 0.210 294 Q C 0.721 176.811 176.000 0.150 0.000 0.982 294 Q CA 1.039 56.906 55.803 0.108 0.000 0.884 294 Q CB -0.731 28.057 28.738 0.084 0.000 0.933 294 Q HN 0.347 nan 8.270 nan 0.000 0.460 295 M N 1.053 120.733 119.600 0.134 0.000 2.158 295 M HA 0.327 4.798 4.480 -0.016 0.000 0.326 295 M C -2.460 173.929 176.300 0.149 0.000 1.014 295 M CA -1.972 53.403 55.300 0.125 0.000 0.961 295 M CB 1.660 34.268 32.600 0.012 0.000 1.327 295 M HN -0.282 nan 8.290 nan 0.000 0.393 296 P HA 0.094 nan 4.420 nan 0.000 0.276 296 P C -0.914 176.615 177.300 0.382 0.000 1.230 296 P CA -0.353 62.828 63.100 0.135 0.000 0.776 296 P CB 0.627 31.938 31.700 -0.648 0.000 0.888 297 K N 4.361 125.037 120.400 0.461 0.000 2.339 297 K HA 0.226 4.537 4.320 -0.016 0.000 0.286 297 K C -0.501 176.400 176.600 0.501 0.000 1.050 297 K CA -0.352 56.202 56.287 0.446 0.000 0.956 297 K CB 0.086 32.797 32.500 0.351 0.000 0.990 297 K HN 0.436 nan 8.250 nan 0.000 0.475 298 L N 3.363 124.770 121.223 0.307 0.000 2.395 298 L HA 0.113 4.444 4.340 -0.016 0.000 0.269 298 L C 0.370 177.285 176.870 0.075 0.000 1.133 298 L CA -0.534 54.363 54.840 0.096 0.000 0.812 298 L CB 0.649 42.664 42.059 -0.073 0.000 1.125 298 L HN 0.705 nan 8.230 nan 0.000 0.452 299 N N 0.170 118.804 118.700 -0.110 0.000 2.801 299 N HA 0.050 4.781 4.740 -0.016 0.000 0.235 299 N C 0.626 175.999 175.510 -0.228 0.000 1.069 299 N CA -0.464 52.487 53.050 -0.164 0.000 0.946 299 N CB 0.636 38.885 38.487 -0.397 0.000 1.212 299 N HN 0.590 nan 8.380 nan 0.000 0.509 300 T N -0.422 114.000 114.554 -0.221 0.000 3.400 300 T HA 0.138 4.478 4.350 -0.016 0.000 0.254 300 T C 1.176 175.790 174.700 -0.144 0.000 1.153 300 T CA 0.322 62.225 62.100 -0.327 0.000 1.012 300 T CB -0.040 68.416 68.868 -0.687 0.000 0.994 300 T HN 0.389 nan 8.240 nan 0.000 0.555 301 A N 1.180 123.937 122.820 -0.105 0.000 2.140 301 A HA 0.247 4.558 4.320 -0.016 0.000 0.209 301 A C 1.187 178.725 177.584 -0.077 0.000 1.181 301 A CA -0.397 51.614 52.037 -0.044 0.000 0.824 301 A CB -0.114 18.881 19.000 -0.009 0.000 0.879 301 A HN 0.526 nan 8.150 nan 0.000 0.480 302 N N 0.752 119.362 118.700 -0.151 0.000 2.492 302 N HA 0.073 4.803 4.740 -0.016 0.000 0.262 302 N C -2.049 173.351 175.510 -0.184 0.000 1.202 302 N CA -1.061 51.883 53.050 -0.177 0.000 0.926 302 N CB 1.284 39.597 38.487 -0.290 0.000 1.078 302 N HN -0.076 nan 8.380 nan 0.000 0.454 303 P HA -0.052 nan 4.420 nan 0.000 0.218 303 P C 0.487 177.720 177.300 -0.113 0.000 1.149 303 P CA 1.311 64.362 63.100 -0.082 0.000 0.817 303 P CB 0.362 32.041 31.700 -0.035 0.000 0.785 304 E N -0.742 119.360 120.200 -0.163 0.000 2.046 304 E HA -0.080 4.260 4.350 -0.016 0.000 0.190 304 E C 2.012 178.300 176.600 -0.519 0.000 0.982 304 E CA 0.837 57.145 56.400 -0.153 0.000 0.800 304 E CB -0.707 29.075 29.700 0.137 0.000 0.756 304 E HN -0.009 nan 8.360 nan 0.000 0.449 305 V N 1.992 121.308 119.914 -0.997 0.000 2.255 305 V HA -0.326 3.785 4.120 -0.016 0.000 0.247 305 V C 2.437 178.278 176.094 -0.421 0.000 1.051 305 V CA 2.221 63.878 62.300 -1.072 0.000 1.018 305 V CB -0.480 30.768 31.823 -0.958 0.000 0.641 305 V HN 0.200 nan 8.190 nan 0.000 0.445 306 K N 0.739 120.992 120.400 -0.245 0.000 2.015 306 K HA -0.290 4.021 4.320 -0.016 0.000 0.216 306 K C 2.218 178.830 176.600 0.019 0.000 1.052 306 K CA 2.314 58.611 56.287 0.018 0.000 0.937 306 K CB -0.415 32.105 32.500 0.035 0.000 0.719 306 K HN 0.229 nan 8.250 nan 0.000 0.446 307 R N -0.424 120.062 120.500 -0.024 0.000 2.105 307 R HA -0.172 4.159 4.340 -0.016 0.000 0.239 307 R C 2.214 178.543 176.300 0.047 0.000 1.135 307 R CA 1.900 58.007 56.100 0.013 0.000 0.967 307 R CB -1.069 29.249 30.300 0.031 0.000 0.861 307 R HN 0.560 nan 8.270 nan 0.000 0.442 308 Y N 0.245 120.492 120.300 -0.089 0.000 2.114 308 Y HA -0.127 4.413 4.550 -0.016 0.000 0.284 308 Y C 1.727 177.553 175.900 -0.123 0.000 1.143 308 Y CA 2.021 60.104 58.100 -0.028 0.000 1.135 308 Y CB -0.229 38.199 38.460 -0.054 0.000 0.980 308 Y HN 0.045 nan 8.280 nan 0.000 0.499 309 L N -0.240 120.869 121.223 -0.190 0.000 2.191 309 L HA -0.226 4.104 4.340 -0.016 0.000 0.212 309 L C 2.378 179.060 176.870 -0.313 0.000 1.103 309 L CA 0.908 55.380 54.840 -0.614 0.000 0.769 309 L CB -0.534 41.042 42.059 -0.804 0.000 0.908 309 L HN 0.353 nan 8.230 nan 0.000 0.438 310 L N -0.547 120.637 121.223 -0.066 0.000 2.093 310 L HA -0.187 4.144 4.340 -0.016 0.000 0.208 310 L C 2.166 179.046 176.870 0.017 0.000 1.085 310 L CA 0.991 55.831 54.840 0.001 0.000 0.755 310 L CB -0.492 41.541 42.059 -0.042 0.000 0.904 310 L HN 0.297 nan 8.230 nan 0.000 0.435 311 D N -0.397 120.002 120.400 -0.001 0.000 2.144 311 D HA -0.127 4.504 4.640 -0.016 0.000 0.200 311 D C 2.313 178.723 176.300 0.184 0.000 0.978 311 D CA 0.997 55.064 54.000 0.112 0.000 0.833 311 D CB -0.076 40.806 40.800 0.137 0.000 0.961 311 D HN 0.128 nan 8.370 nan 0.000 0.470 312 V N 1.667 121.522 119.914 -0.099 0.000 2.343 312 V HA -0.221 3.890 4.120 -0.016 0.000 0.247 312 V C 2.595 178.893 176.094 0.339 0.000 1.051 312 V CA 1.700 63.867 62.300 -0.221 0.000 1.036 312 V CB -0.803 30.675 31.823 -0.574 0.000 0.654 312 V HN 0.163 nan 8.190 nan 0.000 0.451 313 A N 0.964 123.936 122.820 0.254 0.000 1.877 313 A HA -0.240 4.071 4.320 -0.016 0.000 0.216 313 A C 2.454 180.428 177.584 0.650 0.000 1.186 313 A CA 2.665 54.893 52.037 0.319 0.000 0.620 313 A CB -0.999 18.097 19.000 0.160 0.000 0.822 313 A HN 0.630 nan 8.150 nan 0.000 0.443 314 T N -4.289 110.500 114.554 0.391 0.000 3.088 314 T HA -0.031 4.310 4.350 -0.016 0.000 0.259 314 T C 1.614 176.532 174.700 0.363 0.000 1.122 314 T CA 1.058 63.363 62.100 0.341 0.000 1.095 314 T CB -0.410 68.565 68.868 0.178 0.000 0.930 314 T HN 0.461 nan 8.240 nan 0.000 0.508 315 Y N 1.079 121.556 120.300 0.294 0.000 2.084 315 Y HA -0.056 4.485 4.550 -0.016 0.000 0.279 315 Y C 1.971 178.006 175.900 0.225 0.000 1.119 315 Y CA 1.160 59.364 58.100 0.173 0.000 1.101 315 Y CB -0.623 37.895 38.460 0.097 0.000 0.989 315 Y HN 0.198 nan 8.280 nan 0.000 0.484 316 W N 0.719 122.409 121.300 0.649 0.000 2.321 316 W HA -0.233 4.417 4.660 -0.016 0.000 0.306 316 W C 2.371 179.088 176.519 0.330 0.000 1.217 316 W CA 1.665 59.319 57.345 0.515 0.000 1.257 316 W CB -0.652 29.092 29.460 0.472 0.000 1.145 316 W HN 0.118 nan 8.180 nan 0.000 0.509 317 I N 0.104 120.971 120.570 0.495 0.000 2.076 317 I HA -0.353 3.807 4.170 -0.016 0.000 0.237 317 I C 2.642 178.869 176.117 0.184 0.000 1.059 317 I CA 1.837 63.314 61.300 0.296 0.000 1.317 317 I CB -0.820 37.369 38.000 0.315 0.000 1.037 317 I HN -0.068 nan 8.210 nan 0.000 0.398 318 R N 0.863 121.439 120.500 0.126 0.000 2.103 318 R HA -0.206 4.125 4.340 -0.016 0.000 0.242 318 R C 2.024 178.263 176.300 -0.102 0.000 1.142 318 R CA 1.753 57.859 56.100 0.010 0.000 0.960 318 R CB -0.004 30.294 30.300 -0.005 0.000 0.858 318 R HN 0.353 nan 8.270 nan 0.000 0.439 319 E N -1.213 118.855 120.200 -0.220 0.000 2.364 319 E HA -0.019 4.321 4.350 -0.016 0.000 0.196 319 E C 0.954 177.175 176.600 -0.632 0.000 0.990 319 E CA 0.634 56.746 56.400 -0.479 0.000 0.886 319 E CB 0.320 29.539 29.700 -0.802 0.000 0.866 319 E HN 0.397 nan 8.360 nan 0.000 0.493 320 F N 0.439 120.386 119.950 -0.005 0.000 2.706 320 F HA 0.174 4.692 4.527 -0.016 0.000 0.313 320 F C 0.217 176.049 175.800 0.053 0.000 1.096 320 F CA -0.504 57.539 58.000 0.071 0.000 1.219 320 F CB 0.555 39.681 39.000 0.210 0.000 1.051 320 F HN -0.209 nan 8.300 nan 0.000 0.568 321 D N 2.626 123.126 120.400 0.166 0.000 2.686 321 D HA -0.222 4.408 4.640 -0.016 0.000 0.235 321 D C 0.114 176.528 176.300 0.191 0.000 1.160 321 D CA 0.482 54.577 54.000 0.157 0.000 0.645 321 D CB -0.962 39.931 40.800 0.154 0.000 1.039 321 D HN 0.490 nan 8.370 nan 0.000 0.423 322 I N -3.107 117.558 120.570 0.157 0.000 2.779 322 I HA 0.239 4.399 4.170 -0.016 0.000 0.285 322 I C 0.814 176.993 176.117 0.104 0.000 1.134 322 I CA -0.379 60.971 61.300 0.084 0.000 1.398 322 I CB 0.727 38.689 38.000 -0.063 0.000 1.404 322 I HN -0.261 nan 8.210 nan 0.000 0.587 323 D N 3.444 123.931 120.400 0.144 0.000 2.342 323 D HA 0.347 4.978 4.640 -0.016 0.000 0.221 323 D C 0.516 177.076 176.300 0.435 0.000 1.101 323 D CA 0.370 54.496 54.000 0.210 0.000 0.837 323 D CB 0.698 41.526 40.800 0.048 0.000 0.938 323 D HN 0.919 nan 8.370 nan 0.000 0.508 324 G N -0.058 108.903 108.800 0.267 0.000 2.368 324 G HA2 0.221 4.171 3.960 -0.016 0.000 0.303 324 G HA3 0.221 4.171 3.960 -0.016 0.000 0.303 324 G C -2.014 172.963 174.900 0.128 0.000 1.590 324 G CA -1.203 44.096 45.100 0.332 0.000 0.938 324 G HN 0.002 nan 8.290 nan 0.000 0.675 325 W N 1.435 122.844 121.300 0.181 0.000 2.529 325 W HA 0.697 5.347 4.660 -0.016 0.000 0.321 325 W C 0.528 176.966 176.519 -0.134 0.000 1.047 325 W CA -0.978 56.425 57.345 0.098 0.000 1.216 325 W CB 1.926 31.552 29.460 0.277 0.000 1.357 325 W HN 0.392 nan 8.180 nan 0.000 0.489 326 R N 4.609 125.130 120.500 0.036 0.000 2.280 326 R HA 0.316 4.647 4.340 -0.016 0.000 0.326 326 R C -1.183 174.998 176.300 -0.199 0.000 1.080 326 R CA -0.568 55.351 56.100 -0.301 0.000 1.002 326 R CB 0.029 30.037 30.300 -0.487 0.000 1.136 326 R HN 0.659 nan 8.270 nan 0.000 0.509 327 L N 4.067 125.102 121.223 -0.314 0.000 2.342 327 L HA 0.140 4.471 4.340 -0.016 0.000 0.285 327 L C 0.457 177.133 176.870 -0.323 0.000 1.095 327 L CA -0.155 54.479 54.840 -0.343 0.000 0.843 327 L CB 0.648 42.444 42.059 -0.438 0.000 1.201 327 L HN 0.436 nan 8.230 nan 0.000 0.445 328 D N 2.235 122.533 120.400 -0.170 0.000 2.424 328 D HA 0.133 4.764 4.640 -0.016 0.000 0.244 328 D C 0.486 176.758 176.300 -0.047 0.000 1.134 328 D CA 0.198 54.150 54.000 -0.079 0.000 0.881 328 D CB 0.747 41.562 40.800 0.024 0.000 1.191 328 D HN 0.298 nan 8.370 nan 0.000 0.445 329 V N 2.791 122.690 119.914 -0.025 0.000 5.479 329 V HA -0.312 3.799 4.120 -0.016 0.000 0.289 329 V C 1.505 177.642 176.094 0.072 0.000 0.595 329 V CA 0.935 63.270 62.300 0.057 0.000 0.649 329 V CB -2.324 29.607 31.823 0.179 0.000 0.390 329 V HN 0.741 nan 8.190 nan 0.000 0.974 330 A N 1.366 124.134 122.820 -0.087 0.000 2.015 330 A HA -0.160 4.151 4.320 -0.016 0.000 0.219 330 A C 1.847 179.539 177.584 0.179 0.000 1.163 330 A CA 1.629 53.691 52.037 0.041 0.000 0.646 330 A CB -0.543 17.993 19.000 -0.774 0.000 0.806 330 A HN 1.093 nan 8.150 nan 0.000 0.448 331 N N -0.880 117.727 118.700 -0.156 0.000 2.520 331 N HA -0.106 4.625 4.740 -0.016 0.000 0.185 331 N C 1.088 176.780 175.510 0.304 0.000 1.068 331 N CA 1.017 53.997 53.050 -0.117 0.000 0.911 331 N CB -0.146 38.135 38.487 -0.343 0.000 0.961 331 N HN 0.582 nan 8.380 nan 0.000 0.446 332 E N -0.094 120.265 120.200 0.264 0.000 2.474 332 E HA 0.255 4.595 4.350 -0.016 0.000 0.195 332 E C -0.166 176.555 176.600 0.202 0.000 1.039 332 E CA -0.195 56.342 56.400 0.228 0.000 0.881 332 E CB 0.526 30.333 29.700 0.178 0.000 0.970 332 E HN 0.419 nan 8.360 nan 0.000 0.486 333 I N 2.585 123.328 120.570 0.288 0.000 2.437 333 I HA 0.057 4.218 4.170 -0.016 0.000 0.298 333 I C 0.360 176.514 176.117 0.062 0.000 0.984 333 I CA -0.956 60.373 61.300 0.048 0.000 1.214 333 I CB 1.048 38.925 38.000 -0.205 0.000 1.365 333 I HN 0.053 nan 8.210 nan 0.000 0.469 334 D N 4.945 125.304 120.400 -0.068 0.000 2.400 334 D HA -0.066 4.565 4.640 -0.016 0.000 0.238 334 D C 0.755 177.068 176.300 0.023 0.000 1.157 334 D CA -0.056 53.943 54.000 -0.002 0.000 0.889 334 D CB 0.998 41.820 40.800 0.036 0.000 1.199 334 D HN 0.505 nan 8.370 nan 0.000 0.436 335 H N 1.181 120.369 119.070 0.197 0.000 2.293 335 H HA -0.136 4.411 4.556 -0.015 0.000 0.300 335 H C 1.780 177.203 175.328 0.158 0.000 1.082 335 H CA 1.692 57.863 56.048 0.204 0.000 1.308 335 H CB -0.079 29.710 29.762 0.045 0.000 1.375 335 H HN 0.661 nan 8.280 nan 0.000 0.495 336 E N 0.088 120.416 120.200 0.214 0.000 2.108 336 E HA -0.231 4.109 4.350 -0.016 0.000 0.203 336 E C 2.069 178.724 176.600 0.091 0.000 1.022 336 E CA 1.545 58.021 56.400 0.126 0.000 0.823 336 E CB -0.284 29.470 29.700 0.091 0.000 0.744 336 E HN 0.287 nan 8.360 nan 0.000 0.456 337 F N -0.558 119.344 119.950 -0.080 0.000 2.069 337 F HA -0.197 4.321 4.527 -0.016 0.000 0.298 337 F C 1.674 177.424 175.800 -0.084 0.000 1.113 337 F CA 1.812 59.708 58.000 -0.175 0.000 1.214 337 F CB -0.583 38.179 39.000 -0.397 0.000 0.978 337 F HN 0.129 nan 8.300 nan 0.000 0.474 338 W N 0.839 122.293 121.300 0.257 0.000 2.350 338 W HA -0.168 4.483 4.660 -0.015 0.000 0.289 338 W C 2.547 179.042 176.519 -0.039 0.000 1.215 338 W CA 0.908 58.294 57.345 0.068 0.000 1.236 338 W CB -0.365 29.082 29.460 -0.021 0.000 1.130 338 W HN -0.109 nan 8.180 nan 0.000 0.541 339 R N 0.433 121.043 120.500 0.184 0.000 2.096 339 R HA -0.144 4.187 4.340 -0.016 0.000 0.235 339 R C 1.780 178.080 176.300 0.001 0.000 1.127 339 R CA 1.449 57.602 56.100 0.087 0.000 0.968 339 R CB -0.511 29.833 30.300 0.073 0.000 0.861 339 R HN 0.405 nan 8.270 nan 0.000 0.440 340 E N 0.059 120.197 120.200 -0.103 0.000 2.072 340 E HA -0.157 4.183 4.350 -0.016 0.000 0.190 340 E C 1.754 178.250 176.600 -0.174 0.000 0.982 340 E CA 0.701 56.997 56.400 -0.174 0.000 0.803 340 E CB -0.214 29.312 29.700 -0.290 0.000 0.755 340 E HN 0.171 nan 8.360 nan 0.000 0.453 341 F N 2.529 122.254 119.950 -0.374 0.000 2.063 341 F HA -0.313 4.204 4.527 -0.016 0.000 0.298 341 F C 2.558 178.338 175.800 -0.034 0.000 1.109 341 F CA 2.212 60.099 58.000 -0.188 0.000 1.212 341 F CB -0.119 38.928 39.000 0.078 0.000 0.973 341 F HN -0.176 nan 8.300 nan 0.000 0.480 342 R N 0.074 120.612 120.500 0.063 0.000 2.066 342 R HA -0.182 4.149 4.340 -0.016 0.000 0.232 342 R C 2.293 178.547 176.300 -0.077 0.000 1.131 342 R CA 1.844 57.932 56.100 -0.020 0.000 0.955 342 R CB -0.513 29.811 30.300 0.039 0.000 0.851 342 R HN 0.450 nan 8.270 nan 0.000 0.432 343 Q N 0.070 119.835 119.800 -0.059 0.000 2.014 343 Q HA -0.218 4.113 4.340 -0.016 0.000 0.207 343 Q C 2.097 178.052 176.000 -0.076 0.000 0.993 343 Q CA 2.033 57.803 55.803 -0.054 0.000 0.850 343 Q CB -0.099 28.610 28.738 -0.049 0.000 0.916 343 Q HN 0.432 nan 8.270 nan 0.000 0.417 344 E N 0.060 120.190 120.200 -0.117 0.000 2.013 344 E HA -0.200 4.141 4.350 -0.016 0.000 0.202 344 E C 2.247 178.783 176.600 -0.106 0.000 1.018 344 E CA 1.369 57.702 56.400 -0.112 0.000 0.834 344 E CB -0.632 28.980 29.700 -0.146 0.000 0.770 344 E HN 0.156 nan 8.360 nan 0.000 0.459 345 V N 2.350 122.140 119.914 -0.206 0.000 2.233 345 V HA -0.302 3.808 4.120 -0.016 0.000 0.252 345 V C 2.389 178.469 176.094 -0.024 0.000 1.063 345 V CA 2.179 64.395 62.300 -0.138 0.000 1.032 345 V CB -0.523 31.112 31.823 -0.314 0.000 0.645 345 V HN 0.223 nan 8.190 nan 0.000 0.446 346 K N -0.064 120.317 120.400 -0.031 0.000 2.147 346 K HA -0.076 4.235 4.320 -0.016 0.000 0.205 346 K C 2.219 178.828 176.600 0.014 0.000 1.049 346 K CA 1.529 57.822 56.287 0.010 0.000 0.936 346 K CB -0.806 31.694 32.500 0.000 0.000 0.722 346 K HN 0.539 nan 8.250 nan 0.000 0.446 347 A N 1.048 123.867 122.820 -0.002 0.000 1.969 347 A HA -0.119 4.192 4.320 -0.016 0.000 0.218 347 A C 2.183 179.777 177.584 0.016 0.000 1.169 347 A CA 1.035 53.074 52.037 0.004 0.000 0.635 347 A CB -0.335 18.662 19.000 -0.006 0.000 0.810 347 A HN 0.221 nan 8.150 nan 0.000 0.445 348 L N -1.227 120.010 121.223 0.024 0.000 2.071 348 L HA 0.206 4.537 4.340 -0.016 0.000 0.201 348 L C 1.032 177.934 176.870 0.053 0.000 1.076 348 L CA 1.776 56.641 54.840 0.041 0.000 0.755 348 L CB 0.066 42.160 42.059 0.059 0.000 0.915 348 L HN 0.254 nan 8.230 nan 0.000 0.445 349 K N -1.219 119.225 120.400 0.072 0.000 2.756 349 K HA 0.259 4.570 4.320 -0.016 0.000 0.218 349 K C -2.173 174.489 176.600 0.103 0.000 1.057 349 K CA -1.547 54.791 56.287 0.085 0.000 1.056 349 K CB 1.405 33.969 32.500 0.107 0.000 1.235 349 K HN -0.121 nan 8.250 nan 0.000 0.547 350 P HA -0.251 nan 4.420 nan 0.000 0.219 350 P C 0.372 177.754 177.300 0.137 0.000 1.158 350 P CA 1.625 64.776 63.100 0.085 0.000 0.895 350 P CB 0.121 31.858 31.700 0.062 0.000 0.792 351 D N -1.224 119.289 120.400 0.188 0.000 2.344 351 D HA -0.017 4.614 4.640 -0.016 0.000 0.242 351 D C -0.116 176.489 176.300 0.507 0.000 1.159 351 D CA -0.044 54.161 54.000 0.343 0.000 0.859 351 D CB -0.958 40.077 40.800 0.392 0.000 0.925 351 D HN -0.042 nan 8.370 nan 0.000 0.510 352 V N 1.772 121.899 119.914 0.356 0.000 2.521 352 V HA -0.032 4.079 4.120 -0.016 0.000 0.286 352 V C -0.140 176.226 176.094 0.453 0.000 1.034 352 V CA -0.614 61.933 62.300 0.413 0.000 1.045 352 V CB -0.165 31.841 31.823 0.304 0.000 0.974 352 V HN 0.181 nan 8.190 nan 0.000 0.480 353 Y N 6.404 126.943 120.300 0.398 0.000 2.480 353 Y HA 0.340 4.881 4.550 -0.016 0.000 0.341 353 Y C 0.344 176.352 175.900 0.179 0.000 1.031 353 Y CA -0.882 57.331 58.100 0.188 0.000 1.295 353 Y CB 0.370 38.938 38.460 0.180 0.000 1.162 353 Y HN 0.512 nan 8.280 nan 0.000 0.523 354 I N 8.965 129.506 120.570 -0.048 0.000 2.313 354 I HA 0.101 4.261 4.170 -0.016 0.000 0.286 354 I C -0.909 175.048 176.117 -0.267 0.000 1.091 354 I CA -0.724 60.599 61.300 0.038 0.000 1.216 354 I CB 0.417 38.586 38.000 0.282 0.000 1.434 354 I HN 0.416 nan 8.210 nan 0.000 0.487 355 L N 6.238 127.121 121.223 -0.568 0.000 2.289 355 L HA 0.734 5.064 4.340 -0.016 0.000 0.285 355 L C 0.217 176.606 176.870 -0.800 0.000 1.049 355 L CA 0.126 54.468 54.840 -0.831 0.000 0.804 355 L CB 1.375 42.742 42.059 -1.153 0.000 1.195 355 L HN 0.427 nan 8.230 nan 0.000 0.428 356 G N 3.794 111.956 108.800 -1.064 0.000 2.461 356 G HA2 0.356 4.306 3.960 -0.016 0.000 0.323 356 G HA3 0.356 4.306 3.960 -0.016 0.000 0.323 356 G C -1.269 173.049 174.900 -0.970 0.000 1.229 356 G CA -0.542 43.702 45.100 -1.426 0.000 0.941 356 G HN 0.693 nan 8.290 nan 0.000 0.477 357 Q N 2.307 121.665 119.800 -0.737 0.000 2.423 357 Q HA 0.393 4.724 4.340 -0.016 0.000 0.235 357 Q C -0.837 174.911 176.000 -0.420 0.000 1.100 357 Q CA -0.090 55.419 55.803 -0.490 0.000 0.908 357 Q CB 0.175 28.759 28.738 -0.258 0.000 1.312 357 Q HN 0.445 nan 8.270 nan 0.000 0.497 358 I N 3.405 123.693 120.570 -0.471 0.000 2.439 358 I HA 0.168 4.329 4.170 -0.016 0.000 0.285 358 I C -0.390 175.604 176.117 -0.205 0.000 1.021 358 I CA -0.690 60.315 61.300 -0.491 0.000 1.091 358 I CB 1.266 38.773 38.000 -0.822 0.000 1.242 358 I HN 0.665 nan 8.210 nan 0.000 0.439 359 W N 8.008 129.210 121.300 -0.163 0.000 2.136 359 W HA 0.175 4.826 4.660 -0.016 0.000 0.436 359 W C -0.225 176.339 176.519 0.073 0.000 0.624 359 W CA 0.243 57.637 57.345 0.081 0.000 2.276 359 W CB -0.609 28.774 29.460 -0.128 0.000 1.277 359 W HN 0.750 nan 8.180 nan 0.000 0.595 360 H N -2.344 116.898 119.070 0.287 0.000 2.893 360 H HA -0.012 4.535 4.556 -0.016 0.000 0.251 360 H C -0.928 174.522 175.328 0.204 0.000 1.388 360 H CA -1.219 54.965 56.048 0.228 0.000 1.321 360 H CB -0.345 29.529 29.762 0.186 0.000 1.828 360 H HN -0.147 nan 8.280 nan 0.000 0.455 361 D N 0.246 120.914 120.400 0.447 0.000 2.923 361 D HA 0.143 4.774 4.640 -0.016 0.000 0.220 361 D C 0.621 177.226 176.300 0.509 0.000 1.099 361 D CA 1.297 55.528 54.000 0.385 0.000 0.807 361 D CB 0.365 41.331 40.800 0.277 0.000 1.155 361 D HN 0.893 nan 8.370 nan 0.000 0.524 362 A N 4.471 127.592 122.820 0.502 0.000 2.564 362 A HA 0.099 4.410 4.320 -0.016 0.000 0.279 362 A C 1.690 179.695 177.584 0.701 0.000 1.232 362 A CA -0.048 52.314 52.037 0.541 0.000 0.950 362 A CB -0.125 18.955 19.000 0.133 0.000 1.138 362 A HN 0.586 nan 8.150 nan 0.000 0.526 363 M N 1.434 121.394 119.600 0.599 0.000 2.124 363 M HA -0.154 4.317 4.480 -0.016 0.000 0.253 363 M C -1.136 175.371 176.300 0.345 0.000 1.077 363 M CA 2.303 57.864 55.300 0.436 0.000 1.085 363 M CB -1.271 31.477 32.600 0.247 0.000 1.320 363 M HN 0.199 nan 8.290 nan 0.000 0.404 364 P HA -0.176 nan 4.420 nan 0.000 0.218 364 P C 0.687 177.989 177.300 0.003 0.000 1.148 364 P CA 1.472 64.557 63.100 -0.025 0.000 0.822 364 P CB -0.367 31.102 31.700 -0.385 0.000 0.784 365 W N -1.292 120.191 121.300 0.305 0.000 3.330 365 W HA 0.342 4.992 4.660 -0.016 0.000 0.348 365 W C 0.104 176.786 176.519 0.271 0.000 1.205 365 W CA -0.015 57.545 57.345 0.358 0.000 1.841 365 W CB 0.190 29.908 29.460 0.430 0.000 1.084 365 W HN -0.044 nan 8.180 nan 0.000 0.665 366 L N 0.298 121.756 121.223 0.392 0.000 3.193 366 L HA 0.296 4.626 4.340 -0.016 0.000 0.305 366 L C 1.254 178.259 176.870 0.225 0.000 1.299 366 L CA -0.069 54.950 54.840 0.299 0.000 0.904 366 L CB 0.224 42.361 42.059 0.129 0.000 1.331 366 L HN -0.212 nan 8.230 nan 0.000 0.588 367 R N 0.170 120.819 120.500 0.247 0.000 2.334 367 R HA 0.274 4.604 4.340 -0.016 0.000 0.216 367 R C 1.426 177.916 176.300 0.317 0.000 0.905 367 R CA 0.595 56.824 56.100 0.216 0.000 1.064 367 R CB 0.598 30.975 30.300 0.127 0.000 1.046 367 R HN 0.511 nan 8.270 nan 0.000 0.508 368 G N 1.565 110.616 108.800 0.418 0.000 2.195 368 G HA2 -0.259 3.692 3.960 -0.016 0.000 0.246 368 G HA3 -0.259 3.692 3.960 -0.016 0.000 0.246 368 G C 0.431 175.391 174.900 0.100 0.000 0.984 368 G CA 0.418 45.663 45.100 0.242 0.000 0.633 368 G HN 0.531 nan 8.290 nan 0.000 0.525 369 D N -0.264 120.207 120.400 0.117 0.000 2.395 369 D HA 0.215 4.846 4.640 -0.016 0.000 0.213 369 D C 1.182 177.523 176.300 0.069 0.000 1.110 369 D CA 0.618 54.663 54.000 0.074 0.000 0.835 369 D CB 0.213 41.055 40.800 0.070 0.000 0.965 369 D HN 0.596 nan 8.370 nan 0.000 0.505 370 Q N -0.887 118.951 119.800 0.063 0.000 1.668 370 Q HA 0.239 4.570 4.340 -0.016 0.000 0.149 370 Q C -0.577 175.302 176.000 -0.201 0.000 0.412 370 Q CA -0.524 55.248 55.803 -0.053 0.000 0.676 370 Q CB 0.628 29.381 28.738 0.025 0.000 0.893 370 Q HN -0.004 nan 8.270 nan 0.000 0.213 371 F N 2.176 122.183 119.950 0.096 0.000 2.375 371 F HA 0.161 4.679 4.527 -0.016 0.000 0.333 371 F C 1.097 176.898 175.800 0.001 0.000 1.104 371 F CA -0.225 57.754 58.000 -0.035 0.000 1.149 371 F CB 0.652 39.551 39.000 -0.168 0.000 1.190 371 F HN 0.240 nan 8.300 nan 0.000 0.533 372 D N 0.932 121.393 120.400 0.102 0.000 2.183 372 D HA 0.225 4.856 4.640 -0.016 0.000 0.205 372 D C 0.354 176.706 176.300 0.086 0.000 0.962 372 D CA 0.978 54.981 54.000 0.005 0.000 0.849 372 D CB 0.357 41.107 40.800 -0.083 0.000 0.978 372 D HN 0.461 nan 8.370 nan 0.000 0.488 373 A N -0.351 122.397 122.820 -0.120 0.000 2.601 373 A HA 0.566 4.877 4.320 -0.016 0.000 0.291 373 A C -1.155 176.194 177.584 -0.391 0.000 1.075 373 A CA -0.548 51.376 52.037 -0.188 0.000 0.671 373 A CB 1.307 20.239 19.000 -0.112 0.000 1.277 373 A HN 0.011 nan 8.150 nan 0.000 0.417 374 V N -1.509 118.172 119.914 -0.388 0.000 3.102 374 V HA 0.798 4.908 4.120 -0.016 0.000 0.312 374 V C -0.227 175.593 176.094 -0.457 0.000 1.135 374 V CA -1.324 60.670 62.300 -0.511 0.000 1.022 374 V CB 1.898 33.430 31.823 -0.484 0.000 1.056 374 V HN 0.890 nan 8.190 nan 0.000 0.436 375 M N 3.117 122.360 119.600 -0.596 0.000 2.269 375 M HA 0.231 4.701 4.480 -0.016 0.000 0.350 375 M C 0.208 176.111 176.300 -0.662 0.000 1.429 375 M CA 0.418 55.309 55.300 -0.682 0.000 1.063 375 M CB -0.959 30.882 32.600 -1.266 0.000 1.841 375 M HN 0.879 nan 8.290 nan 0.000 0.455 376 N N 2.779 121.218 118.700 -0.435 0.000 3.245 376 N HA 0.094 4.825 4.740 -0.016 0.000 0.296 376 N C 0.545 175.991 175.510 -0.107 0.000 1.254 376 N CA 0.070 52.990 53.050 -0.217 0.000 1.190 376 N CB -0.371 38.039 38.487 -0.128 0.000 1.460 376 N HN 0.448 nan 8.380 nan 0.000 0.538 377 Y N 0.652 120.888 120.300 -0.106 0.000 2.151 377 Y HA -0.170 4.371 4.550 -0.016 0.000 0.284 377 Y C -0.494 175.446 175.900 0.067 0.000 1.166 377 Y CA 0.994 59.030 58.100 -0.107 0.000 1.163 377 Y CB -0.872 37.406 38.460 -0.303 0.000 0.974 377 Y HN 0.415 nan 8.280 nan 0.000 0.511 378 P HA -0.246 nan 4.420 nan 0.000 0.216 378 P C 1.390 178.813 177.300 0.204 0.000 1.150 378 P CA 1.601 64.838 63.100 0.228 0.000 0.843 378 P CB -0.263 31.579 31.700 0.237 0.000 0.787 379 F N 0.469 120.453 119.950 0.056 0.000 2.026 379 F HA -0.258 4.259 4.527 -0.016 0.000 0.296 379 F C 2.058 177.882 175.800 0.040 0.000 1.133 379 F CA 2.275 60.270 58.000 -0.007 0.000 1.188 379 F CB -1.321 37.629 39.000 -0.084 0.000 0.968 379 F HN -0.144 nan 8.300 nan 0.000 0.476 380 T N -0.139 114.609 114.554 0.325 0.000 2.653 380 T HA -0.323 4.018 4.350 -0.016 0.000 0.268 380 T C 1.461 176.186 174.700 0.043 0.000 1.035 380 T CA 1.952 64.147 62.100 0.158 0.000 1.154 380 T CB -0.764 68.241 68.868 0.228 0.000 0.862 380 T HN 0.464 nan 8.240 nan 0.000 0.441 381 D N 0.594 121.053 120.400 0.099 0.000 2.106 381 D HA -0.081 4.550 4.640 -0.016 0.000 0.191 381 D C 2.353 178.669 176.300 0.026 0.000 0.997 381 D CA 1.604 55.646 54.000 0.069 0.000 0.834 381 D CB -0.713 40.147 40.800 0.099 0.000 0.956 381 D HN 0.375 nan 8.370 nan 0.000 0.448 382 G N -0.141 108.679 108.800 0.034 0.000 2.433 382 G HA2 -0.231 3.719 3.960 -0.016 0.000 0.216 382 G HA3 -0.231 3.719 3.960 -0.016 0.000 0.216 382 G C 1.848 176.797 174.900 0.081 0.000 1.186 382 G CA 1.148 46.315 45.100 0.112 0.000 0.779 382 G HN 0.306 nan 8.290 nan 0.000 0.543 383 V N 0.936 120.826 119.914 -0.040 0.000 2.380 383 V HA -0.190 3.920 4.120 -0.016 0.000 0.251 383 V C 2.888 178.876 176.094 -0.177 0.000 1.063 383 V CA 1.728 63.865 62.300 -0.272 0.000 1.055 383 V CB -0.426 31.163 31.823 -0.390 0.000 0.657 383 V HN 0.340 nan 8.190 nan 0.000 0.455 384 L N -1.007 120.151 121.223 -0.108 0.000 2.127 384 L HA -0.023 4.308 4.340 -0.016 0.000 0.203 384 L C 2.652 179.466 176.870 -0.093 0.000 1.080 384 L CA 1.121 55.913 54.840 -0.080 0.000 0.768 384 L CB -0.519 41.508 42.059 -0.053 0.000 0.924 384 L HN 0.125 nan 8.230 nan 0.000 0.444 385 R N -0.934 119.524 120.500 -0.071 0.000 2.249 385 R HA -0.176 4.155 4.340 -0.016 0.000 0.230 385 R C 1.866 178.121 176.300 -0.076 0.000 1.121 385 R CA 1.445 57.511 56.100 -0.057 0.000 0.997 385 R CB -0.118 30.170 30.300 -0.019 0.000 0.867 385 R HN 0.277 nan 8.270 nan 0.000 0.465 386 F N -1.213 118.508 119.950 -0.382 0.000 2.480 386 F HA 0.155 4.673 4.527 -0.015 0.000 0.280 386 F C 1.298 176.777 175.800 -0.535 0.000 1.002 386 F CA 0.382 58.041 58.000 -0.569 0.000 1.325 386 F CB -0.024 38.351 39.000 -1.042 0.000 1.134 386 F HN -0.236 nan 8.300 nan 0.000 0.646 387 F N 0.511 120.172 119.950 -0.481 0.000 2.270 387 F HA 0.209 4.727 4.527 -0.016 0.000 0.295 387 F C 2.366 177.985 175.800 -0.301 0.000 1.087 387 F CA 1.125 58.854 58.000 -0.452 0.000 1.365 387 F CB -1.162 37.647 39.000 -0.318 0.000 1.056 387 F HN 0.098 nan 8.300 nan 0.000 0.506 388 A N -0.478 122.302 122.820 -0.066 0.000 1.881 388 A HA 0.054 4.365 4.320 -0.016 0.000 0.210 388 A C 2.127 179.650 177.584 -0.102 0.000 1.239 388 A CA 0.592 52.578 52.037 -0.085 0.000 0.629 388 A CB -0.178 18.776 19.000 -0.077 0.000 0.906 388 A HN -0.035 nan 8.150 nan 0.000 0.460 389 K N -0.201 120.136 120.400 -0.104 0.000 2.305 389 K HA 0.046 4.357 4.320 -0.016 0.000 0.199 389 K C -0.240 176.298 176.600 -0.102 0.000 1.047 389 K CA 0.678 56.911 56.287 -0.090 0.000 0.976 389 K CB -0.235 32.221 32.500 -0.072 0.000 0.765 389 K HN 0.638 nan 8.250 nan 0.000 0.474 390 E N 0.463 120.569 120.200 -0.156 0.000 2.320 390 E HA -0.237 4.103 4.350 -0.016 0.000 0.234 390 E C 0.140 176.677 176.600 -0.105 0.000 1.183 390 E CA 0.557 56.848 56.400 -0.182 0.000 0.713 390 E CB -0.991 28.625 29.700 -0.140 0.000 1.226 390 E HN 0.443 nan 8.360 nan 0.000 0.382 391 E N -0.282 119.872 120.200 -0.076 0.000 2.079 391 E HA 0.059 4.400 4.350 -0.016 0.000 0.191 391 E C 1.496 178.082 176.600 -0.023 0.000 0.961 391 E CA 0.786 57.159 56.400 -0.046 0.000 0.823 391 E CB 0.138 29.814 29.700 -0.040 0.000 0.789 391 E HN 0.498 nan 8.360 nan 0.000 0.459 392 I N 0.161 120.734 120.570 0.006 0.000 2.970 392 I HA 0.251 4.412 4.170 -0.016 0.000 0.310 392 I C 0.542 176.727 176.117 0.113 0.000 1.010 392 I CA -0.983 60.336 61.300 0.032 0.000 1.228 392 I CB 1.071 39.084 38.000 0.022 0.000 1.433 392 I HN -0.087 nan 8.210 nan 0.000 0.573 393 S N 2.353 118.093 115.700 0.068 0.000 2.694 393 S HA 0.620 5.081 4.470 -0.016 0.000 0.278 393 S C 1.044 175.673 174.600 0.048 0.000 1.152 393 S CA -0.262 58.002 58.200 0.108 0.000 1.010 393 S CB 1.279 64.483 63.200 0.007 0.000 1.104 393 S HN 0.909 nan 8.310 nan 0.000 0.547 394 A N 0.660 123.504 122.820 0.040 0.000 1.873 394 A HA -0.033 4.277 4.320 -0.016 0.000 0.215 394 A C 2.261 179.618 177.584 -0.379 0.000 1.186 394 A CA 1.493 53.307 52.037 -0.372 0.000 0.616 394 A CB -1.001 17.980 19.000 -0.032 0.000 0.823 394 A HN 0.890 nan 8.150 nan 0.000 0.442 395 R N -0.242 120.135 120.500 -0.204 0.000 2.103 395 R HA -0.223 4.108 4.340 -0.016 0.000 0.242 395 R C 2.321 178.463 176.300 -0.262 0.000 1.142 395 R CA 2.044 58.019 56.100 -0.210 0.000 0.960 395 R CB -0.316 29.918 30.300 -0.110 0.000 0.858 395 R HN 0.733 nan 8.270 nan 0.000 0.439 396 Q N -0.653 119.020 119.800 -0.212 0.000 2.016 396 Q HA -0.189 4.142 4.340 -0.016 0.000 0.200 396 Q C 2.006 177.840 176.000 -0.277 0.000 0.978 396 Q CA 1.573 57.260 55.803 -0.193 0.000 0.833 396 Q CB -0.327 28.343 28.738 -0.113 0.000 0.895 396 Q HN 0.326 nan 8.270 nan 0.000 0.427 397 F N 1.722 121.344 119.950 -0.547 0.000 2.154 397 F HA -0.234 4.284 4.527 -0.015 0.000 0.301 397 F C 2.111 177.491 175.800 -0.701 0.000 1.087 397 F CA 1.231 58.812 58.000 -0.697 0.000 1.274 397 F CB -0.470 37.773 39.000 -1.261 0.000 1.009 397 F HN 0.015 nan 8.300 nan 0.000 0.485 398 A N 0.867 123.121 122.820 -0.943 0.000 1.845 398 A HA -0.239 4.072 4.320 -0.016 0.000 0.215 398 A C 2.176 179.269 177.584 -0.818 0.000 1.195 398 A CA 1.917 53.108 52.037 -1.410 0.000 0.616 398 A CB -1.082 17.163 19.000 -1.258 0.000 0.832 398 A HN 0.534 nan 8.150 nan 0.000 0.443 399 N N -0.421 117.995 118.700 -0.473 0.000 2.069 399 N HA -0.225 4.506 4.740 -0.016 0.000 0.191 399 N C 1.870 177.281 175.510 -0.166 0.000 1.031 399 N CA 1.844 54.758 53.050 -0.227 0.000 0.852 399 N CB -0.545 37.853 38.487 -0.148 0.000 1.018 399 N HN 0.615 nan 8.380 nan 0.000 0.423 400 Q N 0.242 119.892 119.800 -0.249 0.000 2.135 400 Q HA 0.006 4.337 4.340 -0.016 0.000 0.204 400 Q C 1.957 177.865 176.000 -0.152 0.000 0.981 400 Q CA 1.215 56.916 55.803 -0.170 0.000 0.856 400 Q CB -0.068 28.549 28.738 -0.202 0.000 0.902 400 Q HN 0.232 nan 8.270 nan 0.000 0.425 401 M N -1.019 118.357 119.600 -0.375 0.000 2.099 401 M HA -0.118 4.353 4.480 -0.016 0.000 0.262 401 M C 1.936 178.285 176.300 0.081 0.000 1.067 401 M CA 1.394 56.578 55.300 -0.194 0.000 1.124 401 M CB -0.754 31.654 32.600 -0.320 0.000 1.353 401 M HN 0.346 nan 8.290 nan 0.000 0.410 402 M N -1.590 118.050 119.600 0.066 0.000 2.175 402 M HA -0.171 4.300 4.480 -0.016 0.000 0.264 402 M C 2.173 178.543 176.300 0.115 0.000 1.063 402 M CA 1.540 56.943 55.300 0.171 0.000 1.119 402 M CB -1.593 31.101 32.600 0.156 0.000 1.377 402 M HN 0.334 nan 8.290 nan 0.000 0.415 403 H N 0.361 119.428 119.070 -0.004 0.000 2.289 403 H HA -0.155 4.392 4.556 -0.016 0.000 0.296 403 H C 2.096 177.417 175.328 -0.012 0.000 1.091 403 H CA 2.673 58.718 56.048 -0.005 0.000 1.274 403 H CB -0.200 29.581 29.762 0.032 0.000 1.364 403 H HN 0.101 nan 8.280 nan 0.000 0.490 404 V N 0.212 120.191 119.914 0.108 0.000 2.261 404 V HA -0.212 3.898 4.120 -0.016 0.000 0.246 404 V C 2.442 178.559 176.094 0.039 0.000 1.047 404 V CA 2.090 64.441 62.300 0.085 0.000 1.015 404 V CB -0.657 31.299 31.823 0.222 0.000 0.642 404 V HN 0.533 nan 8.190 nan 0.000 0.446 405 L N -0.264 121.009 121.223 0.083 0.000 2.043 405 L HA -0.259 4.072 4.340 -0.016 0.000 0.212 405 L C 2.476 179.234 176.870 -0.187 0.000 1.075 405 L CA 2.334 57.173 54.840 -0.003 0.000 0.752 405 L CB -0.775 41.254 42.059 -0.050 0.000 0.891 405 L HN 0.483 nan 8.230 nan 0.000 0.432 406 H N -1.527 117.372 119.070 -0.286 0.000 2.555 406 H HA -0.032 4.515 4.556 -0.016 0.000 0.269 406 H C 2.149 177.216 175.328 -0.435 0.000 0.988 406 H CA 0.844 56.625 56.048 -0.446 0.000 1.178 406 H CB 0.169 29.331 29.762 -1.000 0.000 1.373 406 H HN 0.326 nan 8.280 nan 0.000 0.588 407 S N -0.663 114.832 115.700 -0.342 0.000 2.593 407 S HA 0.065 4.526 4.470 -0.016 0.000 0.217 407 S C -0.219 174.045 174.600 -0.561 0.000 0.966 407 S CA -0.226 57.686 58.200 -0.480 0.000 0.914 407 S CB 0.010 62.843 63.200 -0.613 0.000 0.776 407 S HN 0.154 nan 8.310 nan 0.000 0.523 408 Y N 0.062 120.266 120.300 -0.160 0.000 2.615 408 Y HA 0.601 5.142 4.550 -0.016 0.000 0.341 408 Y C -2.997 172.748 175.900 -0.258 0.000 1.089 408 Y CA -2.830 55.154 58.100 -0.193 0.000 1.049 408 Y CB 0.794 39.150 38.460 -0.172 0.000 1.296 408 Y HN -0.105 nan 8.280 nan 0.000 0.470 409 P HA 0.179 nan 4.420 nan 0.000 0.276 409 P C 0.217 177.338 177.300 -0.299 0.000 1.230 409 P CA -0.054 62.637 63.100 -0.682 0.000 0.776 409 P CB 0.759 31.661 31.700 -1.330 0.000 0.888 410 N N 3.063 121.810 118.700 0.078 0.000 2.096 410 N HA -0.218 4.513 4.740 -0.016 0.000 0.195 410 N C 1.190 176.787 175.510 0.144 0.000 1.017 410 N CA 1.691 54.853 53.050 0.188 0.000 0.870 410 N CB -0.619 38.127 38.487 0.430 0.000 1.024 410 N HN 0.554 nan 8.380 nan 0.000 0.434 411 N N 0.345 119.126 118.700 0.135 0.000 2.459 411 N HA -0.046 4.684 4.740 -0.016 0.000 0.181 411 N C 1.479 176.963 175.510 -0.044 0.000 1.046 411 N CA 0.514 53.595 53.050 0.052 0.000 0.904 411 N CB -0.580 37.878 38.487 -0.049 0.000 0.964 411 N HN 0.087 nan 8.380 nan 0.000 0.444 412 V N 1.074 120.772 119.914 -0.359 0.000 2.426 412 V HA -0.065 4.046 4.120 -0.016 0.000 0.242 412 V C 1.837 177.801 176.094 -0.217 0.000 1.036 412 V CA 1.085 63.084 62.300 -0.502 0.000 1.044 412 V CB -0.600 30.759 31.823 -0.772 0.000 0.688 412 V HN 0.242 nan 8.190 nan 0.000 0.462 413 N N 0.539 119.129 118.700 -0.184 0.000 2.272 413 N HA -0.204 4.526 4.740 -0.016 0.000 0.185 413 N C 1.730 177.186 175.510 -0.089 0.000 1.014 413 N CA 1.259 54.234 53.050 -0.125 0.000 0.870 413 N CB -0.229 38.200 38.487 -0.097 0.000 0.975 413 N HN 0.591 nan 8.380 nan 0.000 0.433 414 E N 0.008 120.181 120.200 -0.045 0.000 2.333 414 E HA -0.025 4.316 4.350 -0.016 0.000 0.198 414 E C 0.799 177.394 176.600 -0.009 0.000 1.007 414 E CA 0.785 57.173 56.400 -0.020 0.000 0.845 414 E CB 0.092 29.811 29.700 0.033 0.000 0.766 414 E HN 0.337 nan 8.360 nan 0.000 0.507 415 A N 0.249 123.084 122.820 0.026 0.000 2.564 415 A HA 0.526 4.837 4.320 -0.016 0.000 0.279 415 A C 0.485 178.125 177.584 0.093 0.000 1.232 415 A CA -0.115 51.964 52.037 0.070 0.000 0.950 415 A CB 0.387 19.480 19.000 0.155 0.000 1.138 415 A HN 0.160 nan 8.150 nan 0.000 0.526 416 A N -0.262 122.558 122.820 -0.001 0.000 2.511 416 A HA 0.421 4.731 4.320 -0.016 0.000 0.242 416 A C -0.250 177.343 177.584 0.016 0.000 1.069 416 A CA 0.057 52.072 52.037 -0.038 0.000 0.763 416 A CB -0.389 18.559 19.000 -0.086 0.000 1.001 416 A HN 0.612 nan 8.150 nan 0.000 0.498 417 F N 2.949 122.784 119.950 -0.191 0.000 2.515 417 F HA 0.185 4.702 4.527 -0.016 0.000 0.353 417 F C 0.279 175.890 175.800 -0.316 0.000 1.213 417 F CA -0.584 57.281 58.000 -0.224 0.000 1.194 417 F CB -0.280 38.522 39.000 -0.329 0.000 1.488 417 F HN 0.622 nan 8.300 nan 0.000 0.619 418 N N 7.400 125.804 118.700 -0.495 0.000 2.415 418 N HA 0.289 5.019 4.740 -0.016 0.000 0.250 418 N C -0.724 174.432 175.510 -0.589 0.000 1.127 418 N CA -0.375 52.239 53.050 -0.726 0.000 0.945 418 N CB 0.628 38.487 38.487 -1.047 0.000 1.196 418 N HN 0.535 nan 8.380 nan 0.000 0.499 419 L N -0.541 120.451 121.223 -0.385 0.000 2.319 419 L HA 0.538 4.869 4.340 -0.016 0.000 0.267 419 L C 0.056 176.946 176.870 0.033 0.000 1.011 419 L CA -0.961 53.762 54.840 -0.196 0.000 0.818 419 L CB 1.407 43.349 42.059 -0.195 0.000 1.316 419 L HN 0.394 nan 8.230 nan 0.000 0.432 420 L N 1.164 122.398 121.223 0.019 0.000 2.463 420 L HA 0.501 4.832 4.340 -0.016 0.000 0.219 420 L C 0.838 177.686 176.870 -0.037 0.000 1.088 420 L CA 0.494 55.342 54.840 0.014 0.000 0.849 420 L CB 0.417 42.412 42.059 -0.107 0.000 1.012 420 L HN 0.938 nan 8.230 nan 0.000 0.468 421 G N -0.755 108.009 108.800 -0.060 0.000 2.579 421 G HA2 0.468 4.418 3.960 -0.016 0.000 0.292 421 G HA3 0.468 4.418 3.960 -0.016 0.000 0.292 421 G C -1.280 173.478 174.900 -0.236 0.000 1.484 421 G CA 0.092 45.106 45.100 -0.144 0.000 0.813 421 G HN -0.029 nan 8.290 nan 0.000 0.515 422 S N -0.838 114.644 115.700 -0.363 0.000 2.806 422 S HA 0.570 5.031 4.470 -0.016 0.000 0.306 422 S C 0.879 175.100 174.600 -0.632 0.000 1.167 422 S CA -0.179 57.827 58.200 -0.323 0.000 0.847 422 S CB 1.289 64.571 63.200 0.136 0.000 1.216 422 S HN 1.285 nan 8.310 nan 0.000 0.532 423 H N -0.110 118.801 119.070 -0.264 0.000 2.563 423 H HA 0.215 4.762 4.556 -0.016 0.000 0.272 423 H C -0.129 175.129 175.328 -0.117 0.000 1.005 423 H CA 0.823 56.825 56.048 -0.077 0.000 1.171 423 H CB -0.588 29.223 29.762 0.081 0.000 1.351 423 H HN 0.560 nan 8.280 nan 0.000 0.602 424 D N 0.827 120.962 120.400 -0.442 0.000 2.431 424 D HA -0.006 4.625 4.640 -0.016 0.000 0.227 424 D C 1.204 177.405 176.300 -0.165 0.000 1.030 424 D CA 1.114 54.914 54.000 -0.334 0.000 0.897 424 D CB 0.446 41.102 40.800 -0.241 0.000 1.058 424 D HN 0.512 nan 8.370 nan 0.000 0.500 425 T N -1.344 113.118 114.554 -0.153 0.000 2.862 425 T HA 0.466 4.807 4.350 -0.016 0.000 0.276 425 T C 0.944 175.546 174.700 -0.162 0.000 0.974 425 T CA -0.554 61.477 62.100 -0.114 0.000 0.966 425 T CB 1.883 70.698 68.868 -0.087 0.000 1.072 425 T HN -0.243 nan 8.240 nan 0.000 0.538 426 S N 0.227 115.856 115.700 -0.120 0.000 2.562 426 S HA 0.364 4.825 4.470 -0.016 0.000 0.256 426 S C 0.459 174.979 174.600 -0.134 0.000 1.248 426 S CA -0.738 57.395 58.200 -0.111 0.000 0.988 426 S CB -0.007 63.144 63.200 -0.082 0.000 1.035 426 S HN 0.580 nan 8.310 nan 0.000 0.548 427 R N 1.262 121.704 120.500 -0.096 0.000 2.474 427 R HA 0.309 4.640 4.340 -0.016 0.000 0.295 427 R C 1.458 177.714 176.300 -0.074 0.000 0.980 427 R CA -0.361 55.691 56.100 -0.080 0.000 0.934 427 R CB 0.619 30.890 30.300 -0.049 0.000 1.101 427 R HN 0.688 nan 8.270 nan 0.000 0.469 428 I N -0.044 120.482 120.570 -0.073 0.000 2.335 428 I HA -0.254 3.906 4.170 -0.016 0.000 0.251 428 I C 1.770 177.848 176.117 -0.065 0.000 1.129 428 I CA 1.311 62.560 61.300 -0.085 0.000 1.402 428 I CB -0.252 37.670 38.000 -0.130 0.000 1.069 428 I HN 0.349 nan 8.210 nan 0.000 0.424 429 L N 1.509 122.710 121.223 -0.038 0.000 2.109 429 L HA -0.063 4.267 4.340 -0.016 0.000 0.207 429 L C 2.385 179.225 176.870 -0.049 0.000 1.086 429 L CA 2.132 56.951 54.840 -0.034 0.000 0.760 429 L CB -0.933 41.118 42.059 -0.013 0.000 0.910 429 L HN 0.218 nan 8.230 nan 0.000 0.437 430 T N -1.417 113.107 114.554 -0.050 0.000 2.962 430 T HA -0.074 4.267 4.350 -0.016 0.000 0.270 430 T C 1.857 176.523 174.700 -0.057 0.000 1.088 430 T CA 1.300 63.369 62.100 -0.052 0.000 1.127 430 T CB -0.161 68.676 68.868 -0.052 0.000 0.883 430 T HN 0.200 nan 8.240 nan 0.000 0.493 431 V N 0.252 120.128 119.914 -0.063 0.000 2.788 431 V HA -0.049 4.062 4.120 -0.016 0.000 0.251 431 V C 2.381 178.433 176.094 -0.071 0.000 1.068 431 V CA 0.777 63.037 62.300 -0.066 0.000 1.090 431 V CB -0.442 31.340 31.823 -0.068 0.000 0.710 431 V HN 0.524 nan 8.190 nan 0.000 0.467 432 C N 1.037 120.291 119.300 -0.077 0.000 2.539 432 C HA 0.374 4.824 4.460 -0.016 0.000 0.271 432 C C 1.950 176.886 174.990 -0.090 0.000 1.412 432 C CA 0.262 59.224 59.018 -0.093 0.000 1.729 432 C CB -1.440 26.237 27.740 -0.105 0.000 1.739 432 C HN 0.816 nan 8.230 nan 0.000 0.570 433 G N 0.195 108.952 108.800 -0.072 0.000 2.221 433 G HA2 0.081 4.032 3.960 -0.016 0.000 0.265 433 G HA3 0.081 4.032 3.960 -0.016 0.000 0.265 433 G C 0.959 175.821 174.900 -0.063 0.000 1.041 433 G CA 0.671 45.733 45.100 -0.063 0.000 0.807 433 G HN 1.418 nan 8.290 nan 0.000 0.502 434 G N -0.939 107.823 108.800 -0.063 0.000 2.299 434 G HA2 -0.280 3.671 3.960 -0.016 0.000 0.237 434 G HA3 -0.280 3.671 3.960 -0.016 0.000 0.237 434 G C 0.320 175.177 174.900 -0.072 0.000 1.027 434 G CA 0.818 45.883 45.100 -0.057 0.000 0.619 434 G HN 1.224 nan 8.290 nan 0.000 0.513 435 D N 1.848 122.186 120.400 -0.104 0.000 2.402 435 D HA 0.160 4.790 4.640 -0.016 0.000 0.268 435 D C 1.975 178.191 176.300 -0.140 0.000 1.294 435 D CA -0.233 53.677 54.000 -0.150 0.000 0.945 435 D CB 0.114 40.766 40.800 -0.246 0.000 1.112 435 D HN 0.179 nan 8.370 nan 0.000 0.517 436 I N 4.167 124.673 120.570 -0.105 0.000 2.493 436 I HA -0.192 3.969 4.170 -0.016 0.000 0.254 436 I C 2.257 178.307 176.117 -0.112 0.000 1.160 436 I CA 0.715 61.967 61.300 -0.080 0.000 1.445 436 I CB -0.539 37.429 38.000 -0.053 0.000 1.086 436 I HN 0.369 nan 8.210 nan 0.000 0.433 437 R N 1.178 121.582 120.500 -0.159 0.000 2.073 437 R HA -0.152 4.179 4.340 -0.016 0.000 0.234 437 R C 2.311 178.492 176.300 -0.197 0.000 1.134 437 R CA 1.317 57.320 56.100 -0.163 0.000 0.952 437 R CB -0.224 29.936 30.300 -0.232 0.000 0.850 437 R HN 0.352 nan 8.270 nan 0.000 0.433 438 K N 0.273 120.486 120.400 -0.313 0.000 2.009 438 K HA -0.128 4.182 4.320 -0.016 0.000 0.210 438 K C 2.131 178.645 176.600 -0.143 0.000 1.049 438 K CA 1.665 57.819 56.287 -0.223 0.000 0.929 438 K CB -0.348 32.011 32.500 -0.236 0.000 0.714 438 K HN -0.019 nan 8.250 nan 0.000 0.440 439 V N 1.885 121.732 119.914 -0.112 0.000 2.317 439 V HA -0.312 3.799 4.120 -0.016 0.000 0.251 439 V C 2.264 178.369 176.094 0.018 0.000 1.065 439 V CA 1.856 64.124 62.300 -0.053 0.000 1.049 439 V CB -0.441 31.402 31.823 0.034 0.000 0.651 439 V HN 0.332 nan 8.190 nan 0.000 0.450 440 K N -0.586 119.794 120.400 -0.033 0.000 2.211 440 K HA -0.114 4.197 4.320 -0.016 0.000 0.204 440 K C 1.937 178.448 176.600 -0.148 0.000 1.047 440 K CA 1.190 57.392 56.287 -0.142 0.000 0.935 440 K CB -0.165 32.085 32.500 -0.418 0.000 0.728 440 K HN 0.429 nan 8.250 nan 0.000 0.452 441 L N 0.337 121.423 121.223 -0.228 0.000 2.313 441 L HA -0.089 4.242 4.340 -0.016 0.000 0.214 441 L C 1.930 178.460 176.870 -0.566 0.000 1.119 441 L CA 0.400 54.982 54.840 -0.430 0.000 0.809 441 L CB -0.155 41.657 42.059 -0.412 0.000 0.933 441 L HN 0.169 nan 8.230 nan 0.000 0.449 442 L N -1.262 119.744 121.223 -0.362 0.000 2.005 442 L HA -0.166 4.165 4.340 -0.016 0.000 0.207 442 L C 2.465 179.230 176.870 -0.175 0.000 1.072 442 L CA 1.398 56.050 54.840 -0.314 0.000 0.744 442 L CB -0.590 41.284 42.059 -0.309 0.000 0.895 442 L HN 0.094 nan 8.230 nan 0.000 0.433 443 F N -0.261 119.669 119.950 -0.034 0.000 2.161 443 F HA -0.284 4.234 4.527 -0.016 0.000 0.300 443 F C 2.313 178.107 175.800 -0.009 0.000 1.089 443 F CA 1.166 59.181 58.000 0.024 0.000 1.282 443 F CB -0.441 38.607 39.000 0.080 0.000 1.010 443 F HN 0.036 nan 8.300 nan 0.000 0.485 444 L N -0.424 120.860 121.223 0.101 0.000 1.961 444 L HA -0.230 4.101 4.340 -0.016 0.000 0.210 444 L C 2.163 179.083 176.870 0.084 0.000 1.072 444 L CA 1.808 56.636 54.840 -0.020 0.000 0.749 444 L CB -1.274 40.644 42.059 -0.234 0.000 0.889 444 L HN 0.123 nan 8.230 nan 0.000 0.432 445 F N -0.083 119.819 119.950 -0.080 0.000 2.250 445 F HA -0.228 4.289 4.527 -0.016 0.000 0.301 445 F C 2.606 178.544 175.800 0.231 0.000 1.077 445 F CA 1.935 59.996 58.000 0.102 0.000 1.348 445 F CB -0.223 38.803 39.000 0.042 0.000 1.040 445 F HN 0.391 nan 8.300 nan 0.000 0.509 446 Q N 0.098 120.051 119.800 0.256 0.000 2.062 446 Q HA -0.102 4.228 4.340 -0.016 0.000 0.196 446 Q C 1.783 177.884 176.000 0.168 0.000 0.967 446 Q CA 1.287 57.280 55.803 0.317 0.000 0.832 446 Q CB -0.164 28.714 28.738 0.234 0.000 0.899 446 Q HN 0.474 nan 8.270 nan 0.000 0.442 447 L N 0.901 122.200 121.223 0.126 0.000 2.645 447 L HA 0.048 4.379 4.340 -0.016 0.000 0.235 447 L C 1.148 178.053 176.870 0.057 0.000 1.150 447 L CA 0.722 55.611 54.840 0.082 0.000 0.911 447 L CB 0.041 42.145 42.059 0.074 0.000 1.077 447 L HN 0.308 nan 8.230 nan 0.000 0.438 448 T N -5.266 109.324 114.554 0.060 0.000 3.058 448 T HA 0.183 4.524 4.350 -0.016 0.000 0.278 448 T C -0.014 174.712 174.700 0.043 0.000 0.974 448 T CA -0.298 61.834 62.100 0.054 0.000 0.893 448 T CB -0.041 68.893 68.868 0.111 0.000 1.138 448 T HN -0.058 nan 8.240 nan 0.000 0.529 449 F N 2.668 122.518 119.950 -0.167 0.000 2.397 449 F HA 0.604 5.122 4.527 -0.015 0.000 0.331 449 F C 0.525 176.255 175.800 -0.117 0.000 1.090 449 F CA -0.579 57.310 58.000 -0.184 0.000 1.065 449 F CB 1.542 40.481 39.000 -0.101 0.000 1.184 449 F HN -0.093 nan 8.300 nan 0.000 0.499 450 T N 3.355 117.600 114.554 -0.515 0.000 2.900 450 T HA 0.530 4.871 4.350 -0.016 0.000 0.307 450 T C 0.246 174.834 174.700 -0.187 0.000 1.065 450 T CA 0.915 62.818 62.100 -0.328 0.000 1.105 450 T CB 0.519 69.153 68.868 -0.389 0.000 0.979 450 T HN 1.123 nan 8.240 nan 0.000 0.544 451 G N 1.273 110.007 108.800 -0.111 0.000 2.337 451 G HA2 0.036 3.987 3.960 -0.016 0.000 0.197 451 G HA3 0.036 3.987 3.960 -0.016 0.000 0.197 451 G C -0.425 174.447 174.900 -0.046 0.000 1.238 451 G CA -0.167 44.892 45.100 -0.069 0.000 1.119 451 G HN 0.881 nan 8.290 nan 0.000 0.514 452 S N 2.838 118.523 115.700 -0.025 0.000 2.622 452 S HA 0.696 5.157 4.470 -0.016 0.000 0.283 452 S C -2.269 172.289 174.600 -0.069 0.000 1.197 452 S CA -0.696 57.526 58.200 0.036 0.000 1.146 452 S CB 1.343 64.652 63.200 0.181 0.000 1.007 452 S HN 0.638 nan 8.310 nan 0.000 0.478 453 P HA 0.306 nan 4.420 nan 0.000 0.274 453 P C -0.638 176.581 177.300 -0.136 0.000 1.231 453 P CA -0.480 62.514 63.100 -0.176 0.000 0.790 453 P CB 0.891 32.553 31.700 -0.063 0.000 0.951 454 C N 3.856 122.997 119.300 -0.265 0.000 2.609 454 C HA 0.647 5.097 4.460 -0.016 0.000 0.313 454 C C -0.644 174.357 174.990 0.019 0.000 1.175 454 C CA -0.674 58.265 59.018 -0.130 0.000 1.434 454 C CB -0.052 27.358 27.740 -0.551 0.000 2.005 454 C HN 0.460 nan 8.230 nan 0.000 0.471 455 I N 5.644 126.299 120.570 0.142 0.000 2.362 455 I HA 0.241 4.402 4.170 -0.016 0.000 0.289 455 I C -0.733 175.374 176.117 -0.018 0.000 0.994 455 I CA -0.576 60.812 61.300 0.147 0.000 1.158 455 I CB 1.071 39.247 38.000 0.294 0.000 1.315 455 I HN 0.649 nan 8.210 nan 0.000 0.451 456 Y N 8.325 128.572 120.300 -0.088 0.000 2.544 456 Y HA 0.022 4.563 4.550 -0.016 0.000 0.330 456 Y C 0.186 175.938 175.900 -0.246 0.000 1.136 456 Y CA -0.589 57.434 58.100 -0.128 0.000 1.417 456 Y CB 0.151 38.573 38.460 -0.062 0.000 1.229 456 Y HN 0.460 nan 8.280 nan 0.000 0.532 457 Y N 4.655 124.460 120.300 -0.825 0.000 2.865 457 Y HA 0.286 4.826 4.550 -0.016 0.000 0.338 457 Y C 1.019 176.772 175.900 -0.244 0.000 1.269 457 Y CA -0.174 57.596 58.100 -0.550 0.000 1.585 457 Y CB -0.212 38.040 38.460 -0.347 0.000 1.224 457 Y HN 0.907 nan 8.280 nan 0.000 0.554 458 G N 2.977 111.745 108.800 -0.054 0.000 2.317 458 G HA2 -0.358 3.593 3.960 -0.016 0.000 0.227 458 G HA3 -0.358 3.593 3.960 -0.016 0.000 0.227 458 G C 0.852 175.738 174.900 -0.023 0.000 1.042 458 G CA 0.283 45.291 45.100 -0.153 0.000 0.623 458 G HN 0.590 nan 8.290 nan 0.000 0.509 459 D N 1.403 121.828 120.400 0.043 0.000 2.158 459 D HA -0.076 4.555 4.640 -0.016 0.000 0.197 459 D C 2.462 178.940 176.300 0.297 0.000 0.995 459 D CA 1.547 55.679 54.000 0.219 0.000 0.846 459 D CB -0.122 40.868 40.800 0.316 0.000 0.941 459 D HN 0.731 nan 8.370 nan 0.000 0.456 460 E N 1.145 121.473 120.200 0.212 0.000 2.409 460 E HA -0.144 4.197 4.350 -0.016 0.000 0.198 460 E C 1.763 178.377 176.600 0.023 0.000 1.024 460 E CA 0.551 56.945 56.400 -0.010 0.000 0.861 460 E CB -0.460 29.220 29.700 -0.032 0.000 0.788 460 E HN 0.545 nan 8.360 nan 0.000 0.521 461 I N -4.527 116.106 120.570 0.104 0.000 4.050 461 I HA 0.563 4.724 4.170 -0.016 0.000 0.327 461 I C 0.944 177.094 176.117 0.055 0.000 1.473 461 I CA -0.080 61.287 61.300 0.113 0.000 1.124 461 I CB 0.769 38.853 38.000 0.140 0.000 1.129 461 I HN 0.012 nan 8.210 nan 0.000 0.428 462 G N 1.973 110.803 108.800 0.051 0.000 2.137 462 G HA2 -0.248 3.702 3.960 -0.016 0.000 0.237 462 G HA3 -0.248 3.702 3.960 -0.016 0.000 0.237 462 G C 0.113 175.010 174.900 -0.005 0.000 1.002 462 G CA 0.010 45.128 45.100 0.031 0.000 0.702 462 G HN 0.407 nan 8.290 nan 0.000 0.515 463 M N 1.126 120.706 119.600 -0.033 0.000 2.252 463 M HA 0.406 4.877 4.480 -0.016 0.000 0.333 463 M C 1.274 177.538 176.300 -0.060 0.000 1.111 463 M CA 1.399 56.650 55.300 -0.081 0.000 1.140 463 M CB 0.560 33.059 32.600 -0.168 0.000 1.538 463 M HN 0.560 nan 8.290 nan 0.000 0.448 464 T N -0.391 114.123 114.554 -0.067 0.000 2.888 464 T HA 0.969 5.309 4.350 -0.016 0.000 0.288 464 T C -0.208 174.456 174.700 -0.060 0.000 1.063 464 T CA -0.339 61.729 62.100 -0.053 0.000 1.010 464 T CB 2.144 70.986 68.868 -0.044 0.000 1.214 464 T HN 1.030 nan 8.240 nan 0.000 0.533 465 G N -1.355 107.413 108.800 -0.052 0.000 2.333 465 G HA2 0.484 4.434 3.960 -0.016 0.000 0.330 465 G HA3 0.484 4.434 3.960 -0.016 0.000 0.330 465 G C -0.295 174.573 174.900 -0.053 0.000 1.465 465 G CA -0.264 44.804 45.100 -0.052 0.000 0.996 465 G HN 1.114 nan 8.290 nan 0.000 0.655 466 G N -0.632 108.137 108.800 -0.051 0.000 2.531 466 G HA2 0.520 4.471 3.960 -0.016 0.000 0.281 466 G HA3 0.520 4.471 3.960 -0.016 0.000 0.281 466 G C 0.224 175.085 174.900 -0.064 0.000 1.382 466 G CA -0.382 44.685 45.100 -0.055 0.000 1.045 466 G HN 0.727 nan 8.290 nan 0.000 0.533 467 N N 0.478 119.137 118.700 -0.067 0.000 2.479 467 N HA -0.004 4.727 4.740 -0.016 0.000 0.257 467 N C -0.011 175.456 175.510 -0.072 0.000 1.232 467 N CA -0.236 52.766 53.050 -0.079 0.000 0.920 467 N CB 0.599 39.039 38.487 -0.078 0.000 1.105 467 N HN 0.415 nan 8.380 nan 0.000 0.444 468 D N 2.104 122.451 120.400 -0.088 0.000 3.587 468 D HA -0.142 4.488 4.640 -0.016 0.000 0.190 468 D C -1.429 174.847 176.300 -0.039 0.000 1.039 468 D CA -0.281 53.676 54.000 -0.072 0.000 0.710 468 D CB 0.683 41.428 40.800 -0.091 0.000 1.146 468 D HN 0.423 nan 8.370 nan 0.000 0.552 469 P HA 0.005 nan 4.420 nan 0.000 0.245 469 P C 1.083 178.368 177.300 -0.024 0.000 1.203 469 P CA 0.204 63.299 63.100 -0.009 0.000 0.792 469 P CB 0.321 32.039 31.700 0.030 0.000 0.997 470 E N 0.524 120.707 120.200 -0.028 0.000 2.233 470 E HA -0.217 4.124 4.350 -0.016 0.000 0.199 470 E C 1.666 178.240 176.600 -0.044 0.000 1.004 470 E CA 1.823 58.202 56.400 -0.035 0.000 0.819 470 E CB -0.382 29.296 29.700 -0.036 0.000 0.738 470 E HN 0.385 nan 8.360 nan 0.000 0.478 471 C N -0.689 118.586 119.300 -0.042 0.000 2.522 471 C HA 0.209 4.660 4.460 -0.016 0.000 0.271 471 C C 1.456 176.485 174.990 0.065 0.000 1.425 471 C CA -0.461 58.551 59.018 -0.009 0.000 1.751 471 C CB -0.963 26.743 27.740 -0.056 0.000 1.775 471 C HN 0.119 nan 8.230 nan 0.000 0.557 472 R N 1.069 121.567 120.500 -0.004 0.000 3.039 472 R HA 0.266 4.596 4.340 -0.016 0.000 0.336 472 R C 0.287 176.576 176.300 -0.018 0.000 1.258 472 R CA -0.167 55.928 56.100 -0.008 0.000 1.125 472 R CB 0.117 30.266 30.300 -0.252 0.000 1.427 472 R HN 0.598 nan 8.270 nan 0.000 0.588 473 K N 0.154 120.507 120.400 -0.080 0.000 2.143 473 K HA 0.124 4.435 4.320 -0.016 0.000 0.239 473 K C 0.010 176.435 176.600 -0.291 0.000 1.048 473 K CA -0.254 55.889 56.287 -0.241 0.000 0.867 473 K CB 0.478 32.844 32.500 -0.222 0.000 1.088 473 K HN 0.121 nan 8.250 nan 0.000 0.510 474 C N 1.967 120.902 119.300 -0.608 0.000 2.514 474 C HA 0.142 4.592 4.460 -0.016 0.000 0.392 474 C C 0.513 175.319 174.990 -0.308 0.000 1.294 474 C CA -0.780 57.764 59.018 -0.789 0.000 1.957 474 C CB -0.400 26.357 27.740 -1.639 0.000 2.541 474 C HN 0.660 nan 8.230 nan 0.000 0.569 475 M N 4.638 124.261 119.600 0.039 0.000 2.286 475 M HA 0.058 4.529 4.480 -0.016 0.000 0.365 475 M C -0.280 175.838 176.300 -0.303 0.000 1.443 475 M CA 0.511 55.746 55.300 -0.107 0.000 0.951 475 M CB 0.179 32.594 32.600 -0.309 0.000 1.961 475 M HN 0.506 nan 8.290 nan 0.000 0.468 476 V N 8.585 128.289 119.914 -0.351 0.000 2.397 476 V HA -0.031 4.079 4.120 -0.016 0.000 0.262 476 V C 0.298 176.219 176.094 -0.289 0.000 1.047 476 V CA 0.376 62.552 62.300 -0.207 0.000 1.003 476 V CB -0.582 31.162 31.823 -0.132 0.000 1.037 476 V HN 1.047 nan 8.190 nan 0.000 0.480 477 W N 1.082 122.396 121.300 0.022 0.000 3.211 477 W HA 0.176 4.826 4.660 -0.016 0.000 0.292 477 W C 1.062 177.564 176.519 -0.028 0.000 1.268 477 W CA -0.583 56.717 57.345 -0.074 0.000 1.702 477 W CB 0.519 29.910 29.460 -0.116 0.000 1.092 477 W HN 0.464 nan 8.180 nan 0.000 0.643 478 D N 1.049 121.577 120.400 0.214 0.000 2.371 478 D HA 0.018 4.649 4.640 -0.016 0.000 0.256 478 D C -1.673 174.687 176.300 0.100 0.000 1.193 478 D CA -1.373 52.711 54.000 0.139 0.000 0.881 478 D CB 1.714 42.580 40.800 0.110 0.000 1.143 478 D HN -0.081 nan 8.370 nan 0.000 0.473 479 P HA -0.039 nan 4.420 nan 0.000 0.221 479 P C 1.559 178.887 177.300 0.048 0.000 1.150 479 P CA 0.683 63.823 63.100 0.066 0.000 0.800 479 P CB 0.219 31.952 31.700 0.056 0.000 0.787 480 M N -1.202 118.425 119.600 0.046 0.000 2.374 480 M HA -0.072 4.399 4.480 -0.016 0.000 0.264 480 M C 1.529 177.848 176.300 0.031 0.000 1.067 480 M CA 1.540 56.861 55.300 0.035 0.000 1.103 480 M CB -0.999 31.621 32.600 0.034 0.000 1.402 480 M HN 0.022 nan 8.290 nan 0.000 0.444 481 Q N 0.098 119.919 119.800 0.035 0.000 2.396 481 Q HA 0.111 4.441 4.340 -0.016 0.000 0.220 481 Q C 0.565 176.574 176.000 0.016 0.000 0.900 481 Q CA 0.216 56.033 55.803 0.023 0.000 0.925 481 Q CB 0.263 29.015 28.738 0.022 0.000 1.065 481 Q HN 0.659 nan 8.270 nan 0.000 0.535 482 Q N 0.883 120.698 119.800 0.024 0.000 2.340 482 Q HA 0.154 4.484 4.340 -0.016 0.000 0.249 482 Q C -0.038 175.986 176.000 0.040 0.000 0.957 482 Q CA -0.198 55.621 55.803 0.027 0.000 0.882 482 Q CB 0.536 29.297 28.738 0.038 0.000 1.235 482 Q HN -0.151 nan 8.270 nan 0.000 0.439 483 N N 2.208 120.936 118.700 0.046 0.000 2.448 483 N HA -0.002 4.729 4.740 -0.016 0.000 0.250 483 N C 0.045 175.601 175.510 0.076 0.000 1.136 483 N CA -0.110 52.968 53.050 0.047 0.000 0.953 483 N CB 0.679 39.186 38.487 0.033 0.000 1.251 483 N HN 0.467 nan 8.380 nan 0.000 0.502 484 K N 2.010 122.449 120.400 0.064 0.000 2.439 484 K HA -0.110 4.201 4.320 -0.016 0.000 0.197 484 K C 1.312 177.963 176.600 0.085 0.000 1.041 484 K CA 0.422 56.752 56.287 0.071 0.000 0.970 484 K CB 0.254 32.768 32.500 0.023 0.000 0.773 484 K HN 0.681 nan 8.250 nan 0.000 0.479 485 E N 0.892 121.130 120.200 0.062 0.000 2.028 485 E HA -0.128 4.213 4.350 -0.016 0.000 0.191 485 E C 1.973 178.616 176.600 0.072 0.000 0.988 485 E CA 0.740 57.175 56.400 0.059 0.000 0.799 485 E CB 0.048 29.766 29.700 0.030 0.000 0.755 485 E HN 0.155 nan 8.360 nan 0.000 0.447 486 L N 0.687 121.930 121.223 0.035 0.000 2.017 486 L HA -0.219 4.112 4.340 -0.016 0.000 0.208 486 L C 2.928 179.790 176.870 -0.014 0.000 1.073 486 L CA 1.378 56.202 54.840 -0.026 0.000 0.745 486 L CB -0.822 41.191 42.059 -0.075 0.000 0.894 486 L HN 0.390 nan 8.230 nan 0.000 0.432 487 H N 0.444 119.488 119.070 -0.043 0.000 2.289 487 H HA -0.212 4.334 4.556 -0.015 0.000 0.294 487 H C 2.233 177.540 175.328 -0.036 0.000 1.095 487 H CA 1.997 58.024 56.048 -0.036 0.000 1.256 487 H CB 0.145 29.926 29.762 0.032 0.000 1.359 487 H HN 0.318 nan 8.280 nan 0.000 0.487 488 Q N -0.279 119.676 119.800 0.258 0.000 2.079 488 Q HA -0.142 4.188 4.340 -0.016 0.000 0.200 488 Q C 2.407 178.461 176.000 0.091 0.000 0.974 488 Q CA 1.563 57.473 55.803 0.178 0.000 0.840 488 Q CB -0.935 27.882 28.738 0.130 0.000 0.898 488 Q HN 0.693 nan 8.270 nan 0.000 0.430 489 H N 0.625 119.691 119.070 -0.007 0.000 2.289 489 H HA -0.118 4.428 4.556 -0.016 0.000 0.296 489 H C 1.919 177.186 175.328 -0.101 0.000 1.091 489 H CA 2.194 58.226 56.048 -0.027 0.000 1.274 489 H CB -0.059 29.677 29.762 -0.045 0.000 1.364 489 H HN 0.009 nan 8.280 nan 0.000 0.490 490 V N 0.759 120.557 119.914 -0.194 0.000 2.343 490 V HA -0.226 3.885 4.120 -0.016 0.000 0.247 490 V C 2.533 178.501 176.094 -0.210 0.000 1.051 490 V CA 2.180 64.290 62.300 -0.317 0.000 1.036 490 V CB -0.587 30.933 31.823 -0.505 0.000 0.654 490 V HN 0.460 nan 8.190 nan 0.000 0.451 491 K N -0.163 120.137 120.400 -0.168 0.000 2.097 491 K HA -0.252 4.059 4.320 -0.016 0.000 0.206 491 K C 2.266 178.828 176.600 -0.064 0.000 1.049 491 K CA 1.750 57.977 56.287 -0.101 0.000 0.933 491 K CB -0.099 32.398 32.500 -0.006 0.000 0.717 491 K HN 0.522 nan 8.250 nan 0.000 0.442 492 Q N 0.484 120.244 119.800 -0.067 0.000 2.050 492 Q HA -0.141 4.190 4.340 -0.016 0.000 0.202 492 Q C 2.136 178.093 176.000 -0.071 0.000 0.980 492 Q CA 1.461 57.233 55.803 -0.053 0.000 0.840 492 Q CB 0.011 28.718 28.738 -0.052 0.000 0.898 492 Q HN 0.354 nan 8.270 nan 0.000 0.424 493 L N 0.026 121.166 121.223 -0.137 0.000 2.005 493 L HA -0.165 4.166 4.340 -0.016 0.000 0.207 493 L C 2.380 179.225 176.870 -0.042 0.000 1.072 493 L CA 0.856 55.632 54.840 -0.108 0.000 0.744 493 L CB -0.435 41.523 42.059 -0.168 0.000 0.895 493 L HN 0.265 nan 8.230 nan 0.000 0.433 494 I N 0.274 120.818 120.570 -0.043 0.000 2.399 494 I HA -0.337 3.823 4.170 -0.016 0.000 0.254 494 I C 2.743 178.855 176.117 -0.009 0.000 1.146 494 I CA 1.152 62.441 61.300 -0.018 0.000 1.412 494 I CB -0.478 37.504 38.000 -0.030 0.000 1.076 494 I HN 0.255 nan 8.210 nan 0.000 0.432 495 A N 0.914 123.729 122.820 -0.009 0.000 1.873 495 A HA -0.101 4.210 4.320 -0.016 0.000 0.215 495 A C 2.270 179.882 177.584 0.047 0.000 1.186 495 A CA 1.139 53.181 52.037 0.008 0.000 0.616 495 A CB -0.691 18.313 19.000 0.007 0.000 0.823 495 A HN 0.365 nan 8.150 nan 0.000 0.442 496 L N -1.141 120.123 121.223 0.068 0.000 2.141 496 L HA -0.142 4.189 4.340 -0.016 0.000 0.209 496 L C 2.752 179.731 176.870 0.181 0.000 1.094 496 L CA 1.624 56.564 54.840 0.167 0.000 0.763 496 L CB -0.521 41.592 42.059 0.090 0.000 0.908 496 L HN 0.466 nan 8.230 nan 0.000 0.437 497 R N 0.786 121.335 120.500 0.083 0.000 2.081 497 R HA -0.191 4.140 4.340 -0.016 0.000 0.235 497 R C 2.358 178.689 176.300 0.051 0.000 1.131 497 R CA 1.457 57.596 56.100 0.065 0.000 0.960 497 R CB -0.027 30.291 30.300 0.030 0.000 0.856 497 R HN 0.161 nan 8.270 nan 0.000 0.436 498 K N 0.206 120.622 120.400 0.027 0.000 2.026 498 K HA -0.207 4.104 4.320 -0.016 0.000 0.208 498 K C 2.099 178.683 176.600 -0.027 0.000 1.048 498 K CA 2.026 58.309 56.287 -0.006 0.000 0.929 498 K CB 0.067 32.557 32.500 -0.017 0.000 0.713 498 K HN 0.443 nan 8.250 nan 0.000 0.439 499 Q N -1.342 118.440 119.800 -0.030 0.000 2.398 499 Q HA -0.081 4.250 4.340 -0.016 0.000 0.204 499 Q C -0.105 175.696 176.000 -0.331 0.000 0.932 499 Q CA 0.743 56.441 55.803 -0.175 0.000 0.916 499 Q CB 0.131 28.734 28.738 -0.225 0.000 1.024 499 Q HN 0.279 nan 8.270 nan 0.000 0.504 500 Y N 1.395 121.680 120.300 -0.025 0.000 2.850 500 Y HA 0.282 4.822 4.550 -0.016 0.000 0.360 500 Y C 1.145 177.024 175.900 -0.035 0.000 1.174 500 Y CA -1.036 57.047 58.100 -0.029 0.000 1.373 500 Y CB 0.473 38.916 38.460 -0.028 0.000 1.487 500 Y HN 0.047 nan 8.280 nan 0.000 0.553 501 R N 1.130 121.644 120.500 0.024 0.000 2.301 501 R HA -0.384 3.947 4.340 -0.016 0.000 0.250 501 R C 2.114 178.424 176.300 0.016 0.000 1.102 501 R CA 2.734 58.838 56.100 0.006 0.000 0.933 501 R CB -0.909 29.380 30.300 -0.018 0.000 0.955 501 R HN 0.568 nan 8.270 nan 0.000 0.439 502 S N -0.369 115.351 115.700 0.033 0.000 2.440 502 S HA -0.162 4.298 4.470 -0.016 0.000 0.240 502 S C 2.008 176.604 174.600 -0.008 0.000 1.014 502 S CA 1.592 59.795 58.200 0.005 0.000 0.980 502 S CB -0.487 62.721 63.200 0.013 0.000 0.775 502 S HN 0.455 nan 8.310 nan 0.000 0.499 503 L N 1.061 122.300 121.223 0.026 0.000 2.240 503 L HA 0.058 4.389 4.340 -0.016 0.000 0.211 503 L C 2.887 179.744 176.870 -0.022 0.000 1.106 503 L CA 1.164 56.008 54.840 0.008 0.000 0.793 503 L CB -0.333 41.753 42.059 0.044 0.000 0.927 503 L HN 0.512 nan 8.230 nan 0.000 0.446 504 R N -0.508 119.979 120.500 -0.022 0.000 2.279 504 R HA 0.126 4.457 4.340 -0.016 0.000 0.195 504 R C 1.564 177.825 176.300 -0.065 0.000 0.905 504 R CA 0.015 56.089 56.100 -0.042 0.000 1.044 504 R CB 0.106 30.391 30.300 -0.025 0.000 1.056 504 R HN 0.165 nan 8.270 nan 0.000 0.535 505 R N 0.925 121.392 120.500 -0.055 0.000 2.509 505 R HA 0.241 4.572 4.340 -0.016 0.000 0.297 505 R C 0.579 176.837 176.300 -0.069 0.000 0.951 505 R CA 0.164 56.232 56.100 -0.052 0.000 1.103 505 R CB 1.530 31.818 30.300 -0.020 0.000 1.283 505 R HN 0.162 nan 8.270 nan 0.000 0.534 506 G N 0.825 109.572 108.800 -0.089 0.000 2.588 506 G HA2 0.091 4.042 3.960 -0.016 0.000 0.281 506 G HA3 0.091 4.042 3.960 -0.016 0.000 0.281 506 G C -0.797 174.008 174.900 -0.160 0.000 1.236 506 G CA -0.402 44.635 45.100 -0.105 0.000 0.969 506 G HN 0.131 nan 8.290 nan 0.000 0.504 507 E N -1.267 118.838 120.200 -0.159 0.000 2.319 507 E HA 0.510 4.851 4.350 -0.016 0.000 0.268 507 E C -0.732 175.760 176.600 -0.180 0.000 1.050 507 E CA -0.663 55.619 56.400 -0.195 0.000 0.878 507 E CB 1.270 30.850 29.700 -0.201 0.000 1.066 507 E HN 0.335 nan 8.360 nan 0.000 0.406 508 I N 1.993 122.443 120.570 -0.201 0.000 2.785 508 I HA 0.468 4.629 4.170 -0.016 0.000 0.302 508 I C -1.422 174.588 176.117 -0.179 0.000 1.069 508 I CA -0.391 60.794 61.300 -0.191 0.000 1.045 508 I CB 1.811 39.657 38.000 -0.257 0.000 1.236 508 I HN 0.749 nan 8.210 nan 0.000 0.429 509 S N 4.345 119.909 115.700 -0.227 0.000 2.547 509 S HA 0.553 5.014 4.470 -0.016 0.000 0.270 509 S C -1.346 173.086 174.600 -0.281 0.000 1.150 509 S CA -0.704 57.400 58.200 -0.160 0.000 0.850 509 S CB 1.248 64.428 63.200 -0.034 0.000 1.118 509 S HN 0.384 nan 8.310 nan 0.000 0.461 510 F N 1.587 121.551 119.950 0.023 0.000 2.334 510 F HA 0.465 4.983 4.527 -0.016 0.000 0.367 510 F C -0.220 175.485 175.800 -0.159 0.000 1.115 510 F CA -0.872 57.133 58.000 0.009 0.000 1.116 510 F CB 0.844 39.816 39.000 -0.047 0.000 1.230 510 F HN 0.369 nan 8.300 nan 0.000 0.484 511 L N 4.800 126.086 121.223 0.105 0.000 2.530 511 L HA 0.053 4.384 4.340 -0.016 0.000 0.273 511 L C 0.093 177.026 176.870 0.104 0.000 1.141 511 L CA -0.019 54.880 54.840 0.097 0.000 0.905 511 L CB -0.949 41.200 42.059 0.150 0.000 1.202 511 L HN 0.412 nan 8.230 nan 0.000 0.473 512 H N 2.034 121.207 119.070 0.173 0.000 3.237 512 H HA 0.257 4.804 4.556 -0.015 0.000 0.270 512 H C 0.528 175.945 175.328 0.147 0.000 0.900 512 H CA 0.438 56.573 56.048 0.145 0.000 1.415 512 H CB -0.105 29.719 29.762 0.102 0.000 1.484 512 H HN 0.734 nan 8.280 nan 0.000 0.540 513 A N 3.120 126.084 122.820 0.239 0.000 2.264 513 A HA 0.176 4.487 4.320 -0.016 0.000 0.304 513 A C 1.018 178.727 177.584 0.208 0.000 1.100 513 A CA -0.672 51.511 52.037 0.243 0.000 0.839 513 A CB 0.686 19.868 19.000 0.304 0.000 1.121 513 A HN 0.715 nan 8.150 nan 0.000 0.496 514 D N 0.057 120.587 120.400 0.217 0.000 2.077 514 D HA -0.103 4.527 4.640 -0.016 0.000 0.193 514 D C 0.346 176.712 176.300 0.109 0.000 0.989 514 D CA 1.769 55.866 54.000 0.161 0.000 0.831 514 D CB -0.081 40.823 40.800 0.173 0.000 0.979 514 D HN 0.651 nan 8.370 nan 0.000 0.449 515 D N 0.875 121.333 120.400 0.097 0.000 2.508 515 D HA -0.039 4.592 4.640 -0.016 0.000 0.224 515 D C 0.252 176.480 176.300 -0.121 0.000 1.171 515 D CA -0.048 53.876 54.000 -0.127 0.000 1.006 515 D CB 0.299 40.782 40.800 -0.527 0.000 1.073 515 D HN -0.176 nan 8.370 nan 0.000 0.513 516 E N 2.636 122.822 120.200 -0.024 0.000 2.428 516 E HA -0.065 4.275 4.350 -0.016 0.000 0.199 516 E C 0.877 177.454 176.600 -0.039 0.000 1.172 516 E CA 0.438 56.837 56.400 -0.000 0.000 0.941 516 E CB -0.080 29.633 29.700 0.022 0.000 1.001 516 E HN 0.470 nan 8.360 nan 0.000 0.501 517 M N -0.646 118.895 119.600 -0.098 0.000 2.740 517 M HA 0.172 4.643 4.480 -0.016 0.000 0.253 517 M C 0.614 176.864 176.300 -0.083 0.000 1.341 517 M CA 0.669 55.917 55.300 -0.087 0.000 1.176 517 M CB 0.353 32.887 32.600 -0.110 0.000 1.310 517 M HN 0.069 nan 8.290 nan 0.000 0.531 518 N N -1.278 117.280 118.700 -0.238 0.000 2.143 518 N HA 0.166 4.897 4.740 -0.016 0.000 0.222 518 N C -0.881 174.649 175.510 0.034 0.000 1.264 518 N CA 0.104 53.052 53.050 -0.171 0.000 0.897 518 N CB 1.206 39.530 38.487 -0.272 0.000 1.092 518 N HN 0.266 nan 8.380 nan 0.000 0.516 519 Y N 0.345 120.738 120.300 0.155 0.000 2.487 519 Y HA 0.569 5.109 4.550 -0.016 0.000 0.337 519 Y C -0.339 175.710 175.900 0.248 0.000 1.076 519 Y CA -1.341 56.873 58.100 0.191 0.000 1.115 519 Y CB 2.059 40.607 38.460 0.147 0.000 1.235 519 Y HN -0.222 nan 8.280 nan 0.000 0.468 520 L N 4.189 125.713 121.223 0.501 0.000 2.439 520 L HA 0.604 4.934 4.340 -0.016 0.000 0.270 520 L C -1.609 175.570 176.870 0.515 0.000 0.972 520 L CA -0.484 54.648 54.840 0.486 0.000 0.836 520 L CB 1.215 43.602 42.059 0.547 0.000 1.255 520 L HN 0.512 nan 8.230 nan 0.000 0.404 521 I N 6.359 127.209 120.570 0.465 0.000 2.447 521 I HA 0.496 4.657 4.170 -0.016 0.000 0.287 521 I C -1.253 175.096 176.117 0.387 0.000 1.023 521 I CA -0.723 60.787 61.300 0.351 0.000 1.083 521 I CB 1.560 39.706 38.000 0.242 0.000 1.245 521 I HN 0.682 nan 8.210 nan 0.000 0.434 522 Y N 4.646 125.032 120.300 0.144 0.000 2.571 522 Y HA 0.754 5.294 4.550 -0.016 0.000 0.341 522 Y C -1.404 174.475 175.900 -0.034 0.000 1.076 522 Y CA -1.325 56.750 58.100 -0.042 0.000 1.029 522 Y CB 1.433 39.737 38.460 -0.260 0.000 1.308 522 Y HN 0.546 nan 8.280 nan 0.000 0.461 523 K N 1.343 121.733 120.400 -0.018 0.000 2.395 523 K HA 0.707 5.018 4.320 -0.016 0.000 0.247 523 K C -1.514 175.069 176.600 -0.027 0.000 0.973 523 K CA -1.261 54.981 56.287 -0.076 0.000 0.828 523 K CB 2.429 34.901 32.500 -0.046 0.000 1.272 523 K HN 0.440 nan 8.250 nan 0.000 0.439 524 K N 1.545 121.915 120.400 -0.050 0.000 2.270 524 K HA 0.424 4.735 4.320 -0.016 0.000 0.255 524 K C -0.949 175.614 176.600 -0.062 0.000 0.936 524 K CA -0.602 55.654 56.287 -0.052 0.000 0.809 524 K CB 1.983 34.459 32.500 -0.039 0.000 1.131 524 K HN 0.994 nan 8.250 nan 0.000 0.427 525 T N -1.668 112.841 114.554 -0.074 0.000 2.956 525 T HA 0.328 4.669 4.350 -0.016 0.000 0.312 525 T C -0.280 174.374 174.700 -0.076 0.000 1.151 525 T CA -0.774 61.284 62.100 -0.070 0.000 1.024 525 T CB 1.482 70.309 68.868 -0.068 0.000 1.140 525 T HN 0.522 nan 8.240 nan 0.000 0.473 526 D N -0.014 120.349 120.400 -0.061 0.000 2.513 526 D HA 0.354 4.985 4.640 -0.016 0.000 0.222 526 D C 1.438 177.706 176.300 -0.054 0.000 1.210 526 D CA 0.325 54.291 54.000 -0.057 0.000 0.825 526 D CB -0.030 40.748 40.800 -0.037 0.000 1.037 526 D HN 1.263 nan 8.370 nan 0.000 0.506 527 G N 0.718 109.483 108.800 -0.059 0.000 2.376 527 G HA2 -0.295 3.655 3.960 -0.016 0.000 0.208 527 G HA3 -0.295 3.655 3.960 -0.016 0.000 0.208 527 G C 0.619 175.487 174.900 -0.053 0.000 1.032 527 G CA 0.473 45.541 45.100 -0.053 0.000 0.641 527 G HN 0.505 nan 8.290 nan 0.000 0.503 528 D N 0.352 120.718 120.400 -0.057 0.000 3.239 528 D HA 0.179 4.809 4.640 -0.016 0.000 0.265 528 D C 0.788 177.038 176.300 -0.083 0.000 1.442 528 D CA 0.557 54.513 54.000 -0.073 0.000 1.178 528 D CB -0.095 40.667 40.800 -0.063 0.000 1.198 528 D HN 0.365 nan 8.370 nan 0.000 0.366 529 E N -0.118 120.051 120.200 -0.051 0.000 2.467 529 E HA 0.227 4.568 4.350 -0.016 0.000 0.264 529 E C -0.751 175.821 176.600 -0.046 0.000 1.020 529 E CA 0.790 57.178 56.400 -0.021 0.000 0.945 529 E CB 0.656 30.376 29.700 0.032 0.000 0.942 529 E HN 0.197 nan 8.360 nan 0.000 0.449 530 T N 1.988 116.511 114.554 -0.052 0.000 3.348 530 T HA 0.253 4.594 4.350 -0.016 0.000 0.328 530 T C -0.799 173.853 174.700 -0.080 0.000 0.913 530 T CA -0.595 61.455 62.100 -0.084 0.000 1.043 530 T CB 0.758 69.535 68.868 -0.152 0.000 1.021 530 T HN 0.116 nan 8.240 nan 0.000 0.461 531 V N 3.847 123.712 119.914 -0.083 0.000 2.630 531 V HA 0.715 4.825 4.120 -0.016 0.000 0.305 531 V C -0.426 175.597 176.094 -0.118 0.000 1.046 531 V CA -0.928 61.298 62.300 -0.123 0.000 0.934 531 V CB 1.913 33.633 31.823 -0.173 0.000 1.003 531 V HN 0.700 nan 8.190 nan 0.000 0.451 532 L N 4.797 125.958 121.223 -0.102 0.000 2.365 532 L HA 0.821 5.151 4.340 -0.016 0.000 0.273 532 L C -0.803 175.958 176.870 -0.181 0.000 1.000 532 L CA -0.101 54.675 54.840 -0.107 0.000 0.819 532 L CB 2.086 44.166 42.059 0.036 0.000 1.284 532 L HN 0.451 nan 8.230 nan 0.000 0.418 533 V N 5.829 125.513 119.914 -0.384 0.000 2.588 533 V HA 0.555 4.665 4.120 -0.016 0.000 0.304 533 V C -0.355 175.634 176.094 -0.176 0.000 1.042 533 V CA -0.477 61.595 62.300 -0.381 0.000 0.877 533 V CB 1.807 33.194 31.823 -0.727 0.000 0.996 533 V HN 0.607 nan 8.190 nan 0.000 0.425 534 I N 5.374 125.955 120.570 0.018 0.000 2.447 534 I HA 0.546 4.707 4.170 -0.016 0.000 0.287 534 I C -0.866 175.389 176.117 0.231 0.000 1.023 534 I CA -0.323 61.066 61.300 0.149 0.000 1.083 534 I CB 1.920 40.000 38.000 0.134 0.000 1.245 534 I HN 0.438 nan 8.210 nan 0.000 0.434 535 I N 5.211 125.988 120.570 0.345 0.000 2.569 535 I HA 0.294 4.455 4.170 -0.016 0.000 0.296 535 I C -0.234 176.098 176.117 0.358 0.000 1.028 535 I CA -0.634 60.905 61.300 0.398 0.000 1.082 535 I CB 2.089 40.421 38.000 0.553 0.000 1.264 535 I HN 0.469 nan 8.210 nan 0.000 0.429 536 N N 4.922 123.788 118.700 0.278 0.000 3.194 536 N HA 0.093 4.823 4.740 -0.016 0.000 0.271 536 N C -0.076 175.509 175.510 0.125 0.000 1.308 536 N CA -0.436 52.744 53.050 0.216 0.000 1.042 536 N CB 0.350 38.881 38.487 0.072 0.000 1.310 536 N HN 0.324 nan 8.380 nan 0.000 0.502 537 R N 1.840 122.449 120.500 0.182 0.000 4.045 537 R HA 0.084 4.415 4.340 -0.016 0.000 0.174 537 R C -0.964 175.226 176.300 -0.183 0.000 1.805 537 R CA 0.300 56.400 56.100 -0.000 0.000 1.368 537 R CB -1.550 28.628 30.300 -0.203 0.000 1.362 537 R HN 0.460 nan 8.270 nan 0.000 0.777 538 S N 0.488 115.905 115.700 -0.472 0.000 2.547 538 S HA 0.188 4.649 4.470 -0.016 0.000 0.270 538 S C -0.636 173.395 174.600 -0.949 0.000 1.150 538 S CA -0.773 57.140 58.200 -0.478 0.000 0.850 538 S CB 1.182 64.303 63.200 -0.132 0.000 1.118 538 S HN 0.508 nan 8.310 nan 0.000 0.461 539 D N 1.582 121.682 120.400 -0.499 0.000 2.395 539 D HA 0.230 4.861 4.640 -0.016 0.000 0.226 539 D C 0.216 176.459 176.300 -0.095 0.000 1.146 539 D CA 0.109 53.965 54.000 -0.241 0.000 0.830 539 D CB 0.031 40.884 40.800 0.088 0.000 0.958 539 D HN 0.453 nan 8.370 nan 0.000 0.501 540 Q N 0.133 119.861 119.800 -0.119 0.000 2.484 540 Q HA 0.314 4.645 4.340 -0.016 0.000 0.285 540 Q C -0.555 175.429 176.000 -0.026 0.000 1.097 540 Q CA -1.232 54.549 55.803 -0.037 0.000 0.802 540 Q CB 2.394 31.125 28.738 -0.011 0.000 1.444 540 Q HN 0.108 nan 8.270 nan 0.000 0.429 541 K N -0.089 120.308 120.400 -0.005 0.000 2.350 541 K HA 0.651 4.962 4.320 -0.016 0.000 0.279 541 K C -0.971 175.631 176.600 0.004 0.000 1.027 541 K CA -0.291 55.992 56.287 -0.007 0.000 0.969 541 K CB 0.794 33.291 32.500 -0.005 0.000 0.954 541 K HN 0.495 nan 8.250 nan 0.000 0.474 542 A N 2.756 125.560 122.820 -0.026 0.000 2.414 542 A HA 0.352 4.663 4.320 -0.016 0.000 0.306 542 A C -1.513 175.999 177.584 -0.120 0.000 1.054 542 A CA -1.006 51.001 52.037 -0.050 0.000 0.724 542 A CB 1.407 20.344 19.000 -0.104 0.000 1.267 542 A HN 0.767 nan 8.150 nan 0.000 0.418 543 D N 2.043 122.386 120.400 -0.094 0.000 2.454 543 D HA 0.466 5.096 4.640 -0.016 0.000 0.225 543 D C -0.653 175.563 176.300 -0.139 0.000 1.081 543 D CA 0.398 54.345 54.000 -0.089 0.000 0.864 543 D CB 0.861 41.642 40.800 -0.032 0.000 1.040 543 D HN 0.417 nan 8.370 nan 0.000 0.517 544 I N 4.480 124.929 120.570 -0.200 0.000 2.339 544 I HA 0.264 4.425 4.170 -0.016 0.000 0.290 544 I C -2.151 173.931 176.117 -0.057 0.000 0.994 544 I CA -2.026 59.146 61.300 -0.213 0.000 1.191 544 I CB 1.970 39.758 38.000 -0.354 0.000 1.343 544 I HN -0.016 nan 8.210 nan 0.000 0.458 545 P HA 0.276 nan 4.420 nan 0.000 0.280 545 P C -0.573 176.759 177.300 0.053 0.000 1.244 545 P CA -0.181 62.935 63.100 0.026 0.000 0.784 545 P CB 1.296 33.020 31.700 0.040 0.000 0.913 546 I N 5.879 126.476 120.570 0.045 0.000 2.301 546 I HA 0.160 4.321 4.170 -0.016 0.000 0.292 546 I C -1.658 174.494 176.117 0.059 0.000 1.046 546 I CA -2.204 59.134 61.300 0.063 0.000 1.282 546 I CB 1.113 39.136 38.000 0.039 0.000 1.409 546 I HN 0.104 nan 8.210 nan 0.000 0.484 547 P HA 0.268 nan 4.420 nan 0.000 0.256 547 P C -0.933 176.413 177.300 0.077 0.000 1.689 547 P CA -0.187 62.964 63.100 0.085 0.000 1.124 547 P CB 0.784 32.558 31.700 0.123 0.000 1.766 548 L N 3.181 124.435 121.223 0.052 0.000 2.455 548 L HA 0.424 4.755 4.340 -0.016 0.000 0.264 548 L C -0.689 176.197 176.870 0.027 0.000 0.968 548 L CA -0.453 54.416 54.840 0.049 0.000 0.827 548 L CB 2.205 44.290 42.059 0.043 0.000 1.317 548 L HN -0.003 nan 8.230 nan 0.000 0.407 549 D N 3.289 123.701 120.400 0.019 0.000 2.371 549 D HA 0.368 4.999 4.640 -0.016 0.000 0.256 549 D C 0.229 176.519 176.300 -0.016 0.000 1.193 549 D CA 0.377 54.372 54.000 -0.009 0.000 0.881 549 D CB 1.708 42.487 40.800 -0.035 0.000 1.143 549 D HN 0.600 nan 8.370 nan 0.000 0.473 550 A N 3.601 126.410 122.820 -0.018 0.000 2.797 550 A HA 0.133 4.443 4.320 -0.016 0.000 0.287 550 A C 0.780 178.353 177.584 -0.019 0.000 1.369 550 A CA -0.321 51.700 52.037 -0.027 0.000 0.968 550 A CB -0.134 18.841 19.000 -0.043 0.000 1.069 550 A HN 0.179 nan 8.150 nan 0.000 0.571 551 R N 0.334 120.829 120.500 -0.010 0.000 2.522 551 R HA 0.460 4.791 4.340 -0.016 0.000 0.290 551 R C 0.832 177.173 176.300 0.068 0.000 1.216 551 R CA 0.699 56.810 56.100 0.019 0.000 1.250 551 R CB -0.053 30.250 30.300 0.005 0.000 1.143 551 R HN 0.813 nan 8.270 nan 0.000 0.553 552 G N 1.674 110.558 108.800 0.140 0.000 2.255 552 G HA2 -0.226 3.724 3.960 -0.016 0.000 0.239 552 G HA3 -0.226 3.724 3.960 -0.016 0.000 0.239 552 G C -0.239 174.882 174.900 0.368 0.000 1.083 552 G CA -0.065 45.226 45.100 0.319 0.000 0.826 552 G HN 0.482 nan 8.290 nan 0.000 0.493 553 T N 0.154 114.800 114.554 0.153 0.000 2.771 553 T HA 0.574 4.915 4.350 -0.016 0.000 0.281 553 T C -0.724 173.840 174.700 -0.226 0.000 0.982 553 T CA -0.121 62.042 62.100 0.104 0.000 0.978 553 T CB 0.973 69.856 68.868 0.025 0.000 0.930 553 T HN 0.341 nan 8.240 nan 0.000 0.447 554 W N 4.073 125.404 121.300 0.052 0.000 2.554 554 W HA 0.550 5.200 4.660 -0.017 0.000 0.324 554 W C -0.993 175.411 176.519 -0.192 0.000 1.018 554 W CA -0.924 56.398 57.345 -0.038 0.000 1.243 554 W CB 1.051 30.572 29.460 0.102 0.000 1.345 554 W HN 0.241 nan 8.180 nan 0.000 0.441 555 L N 3.974 124.954 121.223 -0.406 0.000 2.343 555 L HA 0.689 5.020 4.340 -0.016 0.000 0.275 555 L C -0.162 176.442 176.870 -0.443 0.000 1.056 555 L CA -1.217 53.295 54.840 -0.546 0.000 0.804 555 L CB 1.061 42.458 42.059 -1.104 0.000 1.203 555 L HN 0.114 nan 8.230 nan 0.000 0.440 556 V N 2.355 122.191 119.914 -0.129 0.000 2.462 556 V HA 0.217 4.328 4.120 -0.016 0.000 0.288 556 V C 0.284 176.449 176.094 0.118 0.000 1.020 556 V CA -0.911 61.393 62.300 0.006 0.000 0.857 556 V CB 1.520 33.377 31.823 0.056 0.000 1.013 556 V HN 0.769 nan 8.190 nan 0.000 0.431 557 N N 4.934 123.761 118.700 0.212 0.000 2.412 557 N HA 0.064 4.795 4.740 -0.016 0.000 0.279 557 N C 0.850 176.381 175.510 0.035 0.000 1.287 557 N CA 0.092 53.237 53.050 0.158 0.000 0.948 557 N CB 0.842 39.457 38.487 0.212 0.000 1.255 557 N HN 0.728 nan 8.380 nan 0.000 0.485 558 L N 3.476 124.665 121.223 -0.055 0.000 2.700 558 L HA -0.079 4.252 4.340 -0.016 0.000 0.240 558 L C 1.370 178.226 176.870 -0.024 0.000 1.162 558 L CA 0.430 55.228 54.840 -0.069 0.000 0.874 558 L CB -0.151 41.775 42.059 -0.221 0.000 1.001 558 L HN 0.560 nan 8.230 nan 0.000 0.447 559 L N -1.638 119.575 121.223 -0.017 0.000 2.586 559 L HA 0.028 4.359 4.340 -0.016 0.000 0.204 559 L C 2.511 179.391 176.870 0.018 0.000 1.053 559 L CA 0.843 55.683 54.840 -0.000 0.000 0.856 559 L CB -0.187 41.856 42.059 -0.027 0.000 1.192 559 L HN 0.218 nan 8.230 nan 0.000 0.484 560 T N -3.850 110.720 114.554 0.027 0.000 3.010 560 T HA 0.275 4.616 4.350 -0.016 0.000 0.252 560 T C 1.513 176.249 174.700 0.060 0.000 1.047 560 T CA 0.880 63.006 62.100 0.043 0.000 1.140 560 T CB 0.706 69.606 68.868 0.053 0.000 0.885 560 T HN 0.403 nan 8.240 nan 0.000 0.464 561 G N 0.789 109.635 108.800 0.076 0.000 2.307 561 G HA2 -0.195 3.756 3.960 -0.016 0.000 0.210 561 G HA3 -0.195 3.756 3.960 -0.016 0.000 0.210 561 G C -0.056 174.909 174.900 0.108 0.000 1.005 561 G CA 0.013 45.163 45.100 0.084 0.000 0.634 561 G HN 0.646 nan 8.290 nan 0.000 0.496 562 E N 1.032 121.311 120.200 0.132 0.000 2.565 562 E HA 0.186 4.527 4.350 -0.016 0.000 0.268 562 E C 0.411 177.131 176.600 0.200 0.000 1.000 562 E CA 0.589 57.098 56.400 0.181 0.000 0.964 562 E CB 0.348 30.186 29.700 0.230 0.000 0.955 562 E HN 0.526 nan 8.360 nan 0.000 0.459 563 R N 2.698 123.327 120.500 0.215 0.000 2.744 563 R HA 0.504 4.835 4.340 -0.016 0.000 0.279 563 R C -1.367 175.101 176.300 0.280 0.000 0.977 563 R CA -0.512 55.685 56.100 0.161 0.000 0.906 563 R CB 0.895 31.300 30.300 0.177 0.000 1.197 563 R HN 0.402 nan 8.270 nan 0.000 0.463 564 F N 0.090 120.130 119.950 0.149 0.000 2.719 564 F HA 0.738 5.255 4.527 -0.016 0.000 0.309 564 F C -1.726 173.890 175.800 -0.306 0.000 1.138 564 F CA -1.171 56.823 58.000 -0.011 0.000 0.943 564 F CB 0.909 39.873 39.000 -0.061 0.000 1.304 564 F HN 0.567 nan 8.300 nan 0.000 0.445 565 A N 1.200 123.806 122.820 -0.357 0.000 2.295 565 A HA 0.895 5.205 4.320 -0.016 0.000 0.318 565 A C -0.462 176.957 177.584 -0.275 0.000 1.134 565 A CA -0.393 51.118 52.037 -0.876 0.000 0.827 565 A CB 0.660 18.875 19.000 -1.307 0.000 1.136 565 A HN 1.715 nan 8.150 nan 0.000 0.493 566 A N 1.666 124.299 122.820 -0.311 0.000 2.301 566 A HA 0.625 4.936 4.320 -0.016 0.000 0.298 566 A C -0.176 177.333 177.584 -0.124 0.000 1.185 566 A CA -0.349 51.614 52.037 -0.124 0.000 0.830 566 A CB 0.114 19.055 19.000 -0.098 0.000 1.112 566 A HN 0.815 nan 8.150 nan 0.000 0.508 567 E N 1.063 121.214 120.200 -0.081 0.000 2.232 567 E HA 0.604 4.945 4.350 -0.016 0.000 0.264 567 E C 1.346 177.921 176.600 -0.041 0.000 0.973 567 E CA 0.144 56.506 56.400 -0.063 0.000 0.849 567 E CB 1.139 30.805 29.700 -0.057 0.000 1.198 567 E HN 0.706 nan 8.360 nan 0.000 0.407 568 A N 1.192 123.995 122.820 -0.029 0.000 1.935 568 A HA -0.290 4.021 4.320 -0.016 0.000 0.224 568 A C 0.465 178.039 177.584 -0.017 0.000 1.324 568 A CA 1.940 53.967 52.037 -0.018 0.000 0.686 568 A CB -0.815 18.177 19.000 -0.013 0.000 0.837 568 A HN 0.569 nan 8.150 nan 0.000 0.481 569 E N 1.135 121.322 120.200 -0.021 0.000 1.996 569 E HA 0.372 4.713 4.350 -0.016 0.000 0.280 569 E C 0.221 176.806 176.600 -0.025 0.000 1.092 569 E CA 0.472 56.861 56.400 -0.019 0.000 0.862 569 E CB 0.096 29.783 29.700 -0.022 0.000 1.066 569 E HN 0.457 nan 8.360 nan 0.000 0.396 570 T N 1.654 116.198 114.554 -0.015 0.000 2.709 570 T HA -0.078 4.263 4.350 -0.016 0.000 0.269 570 T C 0.627 175.310 174.700 -0.027 0.000 1.008 570 T CA -0.708 61.383 62.100 -0.015 0.000 1.194 570 T CB 0.122 68.993 68.868 0.005 0.000 0.986 570 T HN 0.193 nan 8.240 nan 0.000 0.508 571 L N 2.988 124.183 121.223 -0.046 0.000 2.559 571 L HA 0.054 4.384 4.340 -0.016 0.000 0.282 571 L C 1.264 178.096 176.870 -0.064 0.000 1.232 571 L CA -0.004 54.785 54.840 -0.085 0.000 0.885 571 L CB -0.296 41.669 42.059 -0.157 0.000 1.131 571 L HN 0.998 nan 8.230 nan 0.000 0.498 572 C N 3.873 123.131 119.300 -0.069 0.000 2.398 572 C HA 0.580 5.031 4.460 -0.016 0.000 0.364 572 C C 0.686 175.647 174.990 -0.048 0.000 1.219 572 C CA -0.245 58.746 59.018 -0.044 0.000 2.312 572 C CB 1.028 28.743 27.740 -0.042 0.000 2.428 572 C HN 0.891 nan 8.230 nan 0.000 0.564 573 T N 3.884 118.427 114.554 -0.018 0.000 2.807 573 T HA 0.410 4.751 4.350 -0.016 0.000 0.279 573 T C -0.560 174.119 174.700 -0.034 0.000 0.993 573 T CA -0.146 61.959 62.100 0.009 0.000 0.970 573 T CB 1.293 70.228 68.868 0.111 0.000 0.950 573 T HN 0.731 nan 8.240 nan 0.000 0.441 574 S N 3.569 119.249 115.700 -0.033 0.000 2.457 574 S HA 0.651 5.112 4.470 -0.016 0.000 0.289 574 S C -0.506 174.065 174.600 -0.048 0.000 1.163 574 S CA -0.741 57.431 58.200 -0.048 0.000 1.078 574 S CB 0.263 63.438 63.200 -0.043 0.000 0.987 574 S HN 0.459 nan 8.310 nan 0.000 0.482 575 L N 4.496 125.683 121.223 -0.061 0.000 2.409 575 L HA 0.579 4.910 4.340 -0.016 0.000 0.262 575 L C -2.295 174.550 176.870 -0.042 0.000 0.992 575 L CA -2.326 52.481 54.840 -0.056 0.000 0.817 575 L CB 2.730 44.757 42.059 -0.052 0.000 1.350 575 L HN 0.397 nan 8.230 nan 0.000 0.411 576 P HA 0.280 nan 4.420 nan 0.000 0.279 576 P C -2.764 174.541 177.300 0.008 0.000 1.282 576 P CA -1.895 61.201 63.100 -0.008 0.000 0.788 576 P CB -0.181 31.516 31.700 -0.004 0.000 1.139 577 P HA -0.004 nan 4.420 nan 0.000 0.264 577 P C -0.604 176.764 177.300 0.114 0.000 1.193 577 P CA 0.803 63.896 63.100 -0.012 0.000 0.763 577 P CB -0.583 31.156 31.700 0.064 0.000 0.810 578 Y N -0.406 119.947 120.300 0.088 0.000 4.079 578 Y HA -0.235 4.305 4.550 -0.015 0.000 0.223 578 Y C 1.473 177.486 175.900 0.190 0.000 1.155 578 Y CA 0.978 59.152 58.100 0.123 0.000 1.805 578 Y CB -2.285 36.225 38.460 0.084 0.000 1.571 578 Y HN 0.466 nan 8.280 nan 0.000 0.654 579 G N -0.235 108.689 108.800 0.206 0.000 2.588 579 G HA2 0.578 4.529 3.960 -0.016 0.000 0.278 579 G HA3 0.578 4.529 3.960 -0.016 0.000 0.278 579 G C -0.535 174.519 174.900 0.257 0.000 1.307 579 G CA 0.041 45.211 45.100 0.117 0.000 1.016 579 G HN 0.595 nan 8.290 nan 0.000 0.503 580 F N -3.450 116.531 119.950 0.052 0.000 2.769 580 F HA 0.669 5.186 4.527 -0.016 0.000 0.313 580 F C -1.326 174.457 175.800 -0.029 0.000 1.146 580 F CA -1.366 56.659 58.000 0.043 0.000 0.934 580 F CB 1.373 40.424 39.000 0.086 0.000 1.283 580 F HN 0.732 nan 8.300 nan 0.000 0.443 581 V N 2.034 121.994 119.914 0.077 0.000 3.077 581 V HA 0.792 4.903 4.120 -0.016 0.000 0.299 581 V C -2.186 173.752 176.094 -0.259 0.000 1.276 581 V CA -0.830 61.355 62.300 -0.190 0.000 0.993 581 V CB 2.300 33.877 31.823 -0.409 0.000 1.076 581 V HN 0.878 nan 8.190 nan 0.000 0.434 582 L N 6.282 127.284 121.223 -0.369 0.000 2.381 582 L HA 0.675 5.006 4.340 -0.016 0.000 0.274 582 L C -1.114 175.510 176.870 -0.409 0.000 0.988 582 L CA -0.151 54.495 54.840 -0.325 0.000 0.824 582 L CB 1.780 43.728 42.059 -0.186 0.000 1.263 582 L HN 0.603 nan 8.230 nan 0.000 0.410 583 Y N 0.746 120.987 120.300 -0.100 0.000 2.509 583 Y HA 0.814 5.354 4.550 -0.015 0.000 0.341 583 Y C 0.249 176.049 175.900 -0.166 0.000 1.038 583 Y CA -1.218 56.814 58.100 -0.113 0.000 1.089 583 Y CB 2.107 40.519 38.460 -0.079 0.000 1.241 583 Y HN 0.630 nan 8.280 nan 0.000 0.468 584 A N 3.331 126.156 122.820 0.009 0.000 2.276 584 A HA 0.680 4.991 4.320 -0.016 0.000 0.316 584 A C -1.017 176.549 177.584 -0.030 0.000 1.229 584 A CA -0.569 51.436 52.037 -0.053 0.000 0.851 584 A CB 0.105 19.092 19.000 -0.022 0.000 1.165 584 A HN 0.525 nan 8.150 nan 0.000 0.513 585 I N 1.878 122.405 120.570 -0.071 0.000 2.336 585 I HA 0.388 4.548 4.170 -0.016 0.000 0.292 585 I C 0.169 176.168 176.117 -0.196 0.000 0.991 585 I CA -0.289 60.938 61.300 -0.122 0.000 1.227 585 I CB 0.769 38.673 38.000 -0.159 0.000 1.366 585 I HN 0.691 nan 8.210 nan 0.000 0.466 586 E N 5.105 125.240 120.200 -0.109 0.000 2.191 586 E HA 0.388 4.728 4.350 -0.016 0.000 0.263 586 E C -1.089 175.458 176.600 -0.089 0.000 0.881 586 E CA -0.560 55.743 56.400 -0.161 0.000 0.757 586 E CB 1.692 31.436 29.700 0.073 0.000 1.147 586 E HN 0.543 nan 8.360 nan 0.000 0.414 587 H N 2.214 121.114 119.070 -0.283 0.000 2.519 587 H HA 0.280 4.827 4.556 -0.014 0.000 0.316 587 H C -0.821 174.274 175.328 -0.388 0.000 1.065 587 H CA -0.666 55.271 56.048 -0.185 0.000 1.264 587 H CB 1.083 30.760 29.762 -0.142 0.000 1.413 587 H HN 0.404 nan 8.280 nan 0.000 0.465 588 W N 0.000 121.449 121.300 0.248 0.000 2.388 588 W HA 0.000 4.651 4.660 -0.016 0.000 0.303 588 W CA 0.000 57.430 57.345 0.141 0.000 1.226 588 W CB 0.000 29.515 29.460 0.092 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535