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 1j0j_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 0.000 176.236 176.300 -0.107 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.061 0.000 0.988 1 M CB 0.000 32.549 32.600 -0.084 0.000 1.302 2 R N 2.213 122.658 120.500 -0.091 0.000 2.235 2 R HA 0.283 4.615 4.340 -0.014 0.000 0.338 2 R C 0.681 176.871 176.300 -0.184 0.000 1.087 2 R CA -0.222 55.812 56.100 -0.109 0.000 0.948 2 R CB 0.945 31.220 30.300 -0.041 0.000 1.099 2 R HN 0.598 nan 8.270 nan 0.000 0.483 3 K N 1.855 122.049 120.400 -0.343 0.000 2.063 3 K HA -0.196 4.116 4.320 -0.014 0.000 0.208 3 K C 1.490 177.969 176.600 -0.203 0.000 1.048 3 K CA 1.481 57.407 56.287 -0.603 0.000 0.928 3 K CB 0.170 32.047 32.500 -1.040 0.000 0.713 3 K HN 0.568 nan 8.250 nan 0.000 0.442 4 E N 0.807 120.945 120.200 -0.104 0.000 2.396 4 E HA -0.177 4.165 4.350 -0.014 0.000 0.200 4 E C 1.444 178.061 176.600 0.029 0.000 1.023 4 E CA 1.344 57.744 56.400 -0.000 0.000 0.857 4 E CB -0.145 29.557 29.700 0.002 0.000 0.775 4 E HN 0.344 nan 8.360 nan 0.000 0.525 5 A N 1.016 123.847 122.820 0.017 0.000 2.220 5 A HA 0.254 4.566 4.320 -0.014 0.000 0.211 5 A C 1.240 178.813 177.584 -0.019 0.000 1.176 5 A CA -0.362 51.719 52.037 0.073 0.000 0.834 5 A CB 0.051 19.138 19.000 0.145 0.000 0.868 5 A HN 0.115 nan 8.150 nan 0.000 0.488 6 I N 0.043 120.587 120.570 -0.044 0.000 2.395 6 I HA 0.356 4.518 4.170 -0.014 0.000 0.289 6 I C -0.464 175.594 176.117 -0.098 0.000 1.023 6 I CA -0.203 61.019 61.300 -0.130 0.000 1.350 6 I CB 0.644 38.528 38.000 -0.193 0.000 1.409 6 I HN 0.322 nan 8.210 nan 0.000 0.507 7 Y N 6.180 126.345 120.300 -0.225 0.000 2.519 7 Y HA 0.528 5.070 4.550 -0.013 0.000 0.336 7 Y C -1.315 174.533 175.900 -0.087 0.000 1.089 7 Y CA -0.935 57.104 58.100 -0.101 0.000 1.025 7 Y CB 1.580 39.922 38.460 -0.196 0.000 1.318 7 Y HN 0.657 nan 8.280 nan 0.000 0.452 8 H N 4.344 122.776 119.070 -1.063 0.000 3.129 8 H HA 0.608 5.156 4.556 -0.012 0.000 0.342 8 H C -1.902 172.585 175.328 -1.402 0.000 1.092 8 H CA -0.693 54.594 56.048 -1.268 0.000 1.310 8 H CB 1.274 30.638 29.762 -0.664 0.000 1.932 8 H HN 0.814 nan 8.280 nan 0.000 0.507 9 R N 4.918 124.328 120.500 -1.816 0.000 2.533 9 R HA 0.297 4.629 4.340 -0.014 0.000 0.288 9 R C -2.757 173.148 176.300 -0.658 0.000 1.039 9 R CA -2.215 53.292 56.100 -0.988 0.000 0.909 9 R CB 1.791 31.768 30.300 -0.539 0.000 1.195 9 R HN 0.458 nan 8.270 nan 0.000 0.438 10 P HA -0.088 nan 4.420 nan 0.000 0.171 10 P C -1.200 176.207 177.300 0.179 0.000 1.189 10 P CA 0.876 64.039 63.100 0.105 0.000 0.880 10 P CB 0.032 31.857 31.700 0.208 0.000 1.564 11 A N -0.604 122.336 122.820 0.200 0.000 2.483 11 A HA 0.445 4.757 4.320 -0.014 0.000 0.294 11 A C -0.311 177.464 177.584 0.318 0.000 1.077 11 A CA -0.490 51.704 52.037 0.262 0.000 0.633 11 A CB 0.286 19.388 19.000 0.170 0.000 1.318 11 A HN 0.158 nan 8.150 nan 0.000 0.455 12 D N 0.030 120.594 120.400 0.273 0.000 3.630 12 D HA -0.297 4.335 4.640 -0.014 0.000 0.154 12 D C 1.117 177.563 176.300 0.244 0.000 0.923 12 D CA 1.956 56.091 54.000 0.226 0.000 0.967 12 D CB -0.680 40.245 40.800 0.208 0.000 0.459 12 D HN 0.959 nan 8.370 nan 0.000 0.425 13 N N 1.219 120.005 118.700 0.144 0.000 2.520 13 N HA -0.119 4.613 4.740 -0.014 0.000 0.185 13 N C 1.905 177.467 175.510 0.087 0.000 1.068 13 N CA 1.159 54.230 53.050 0.034 0.000 0.911 13 N CB -0.555 37.822 38.487 -0.184 0.000 0.961 13 N HN 0.384 nan 8.380 nan 0.000 0.446 14 F N 0.855 120.967 119.950 0.270 0.000 2.387 14 F HA 0.379 4.897 4.527 -0.014 0.000 0.294 14 F C 1.243 177.236 175.800 0.322 0.000 1.093 14 F CA 0.466 58.606 58.000 0.233 0.000 1.420 14 F CB 0.228 39.164 39.000 -0.107 0.000 1.086 14 F HN 0.090 nan 8.300 nan 0.000 0.531 15 A N -0.237 122.881 122.820 0.496 0.000 2.429 15 A HA 0.643 4.955 4.320 -0.014 0.000 0.289 15 A C -1.718 176.148 177.584 0.470 0.000 1.043 15 A CA -0.467 51.802 52.037 0.387 0.000 0.722 15 A CB 0.183 19.494 19.000 0.519 0.000 1.243 15 A HN 0.277 nan 8.150 nan 0.000 0.415 16 Y N -0.766 119.621 120.300 0.145 0.000 2.624 16 Y HA 0.791 5.334 4.550 -0.012 0.000 0.334 16 Y C -0.232 175.608 175.900 -0.098 0.000 1.155 16 Y CA -0.960 57.227 58.100 0.144 0.000 1.046 16 Y CB 0.945 39.507 38.460 0.169 0.000 1.316 16 Y HN 1.083 nan 8.280 nan 0.000 0.457 17 A N 1.750 124.640 122.820 0.116 0.000 2.320 17 A HA 0.380 4.691 4.320 -0.014 0.000 0.287 17 A C -0.561 177.091 177.584 0.113 0.000 1.181 17 A CA -0.369 51.654 52.037 -0.024 0.000 0.831 17 A CB -0.038 19.030 19.000 0.113 0.000 1.102 17 A HN 0.980 nan 8.150 nan 0.000 0.513 18 Y N 2.106 122.287 120.300 -0.199 0.000 2.347 18 Y HA 0.147 4.690 4.550 -0.013 0.000 0.294 18 Y C 0.347 176.225 175.900 -0.036 0.000 1.117 18 Y CA 1.529 59.525 58.100 -0.174 0.000 1.184 18 Y CB 0.400 38.489 38.460 -0.618 0.000 1.047 18 Y HN 0.818 nan 8.280 nan 0.000 0.546 19 D N -3.210 117.175 120.400 -0.025 0.000 2.626 19 D HA 0.192 4.824 4.640 -0.014 0.000 0.278 19 D C 0.436 176.737 176.300 0.002 0.000 1.211 19 D CA -0.285 53.693 54.000 -0.036 0.000 0.903 19 D CB 0.894 41.706 40.800 0.021 0.000 1.408 19 D HN -0.220 nan 8.370 nan 0.000 0.454 20 S N -1.002 114.704 115.700 0.010 0.000 2.520 20 S HA -0.144 4.318 4.470 -0.014 0.000 0.249 20 S C 0.830 175.418 174.600 -0.019 0.000 0.983 20 S CA 1.506 59.716 58.200 0.016 0.000 0.958 20 S CB -0.576 62.640 63.200 0.027 0.000 0.750 20 S HN 0.672 nan 8.310 nan 0.000 0.527 21 E N -1.135 119.047 120.200 -0.030 0.000 2.744 21 E HA 0.120 4.462 4.350 -0.014 0.000 0.210 21 E C -0.728 175.827 176.600 -0.074 0.000 0.950 21 E CA -0.259 56.102 56.400 -0.065 0.000 1.282 21 E CB 0.435 30.103 29.700 -0.053 0.000 1.123 21 E HN 0.092 nan 8.360 nan 0.000 0.544 22 T N 1.716 116.238 114.554 -0.055 0.000 2.824 22 T HA 0.538 4.880 4.350 -0.014 0.000 0.282 22 T C -1.124 173.490 174.700 -0.144 0.000 0.993 22 T CA -0.608 61.457 62.100 -0.059 0.000 0.967 22 T CB 2.065 70.965 68.868 0.052 0.000 0.960 22 T HN 0.189 nan 8.240 nan 0.000 0.441 23 L N 2.789 123.876 121.223 -0.226 0.000 2.346 23 L HA 0.533 4.865 4.340 -0.014 0.000 0.274 23 L C -0.920 175.770 176.870 -0.301 0.000 1.007 23 L CA -0.400 54.195 54.840 -0.407 0.000 0.818 23 L CB 1.361 43.083 42.059 -0.563 0.000 1.284 23 L HN 0.729 nan 8.230 nan 0.000 0.424 24 H N 5.477 124.132 119.070 -0.691 0.000 2.511 24 H HA 0.522 5.070 4.556 -0.013 0.000 0.328 24 H C -1.127 173.810 175.328 -0.651 0.000 1.044 24 H CA -0.837 54.749 56.048 -0.770 0.000 1.212 24 H CB 1.467 30.675 29.762 -0.923 0.000 1.428 24 H HN 0.436 nan 8.280 nan 0.000 0.483 25 L N 3.682 124.616 121.223 -0.481 0.000 2.346 25 L HA 0.522 4.854 4.340 -0.014 0.000 0.276 25 L C -0.143 176.716 176.870 -0.018 0.000 1.006 25 L CA -0.656 54.083 54.840 -0.169 0.000 0.817 25 L CB 2.228 44.149 42.059 -0.230 0.000 1.272 25 L HN 0.454 nan 8.230 nan 0.000 0.421 26 R N 2.778 123.455 120.500 0.295 0.000 2.621 26 R HA 0.735 5.067 4.340 -0.014 0.000 0.292 26 R C -1.881 174.689 176.300 0.451 0.000 0.969 26 R CA -0.665 55.668 56.100 0.388 0.000 0.887 26 R CB 2.032 32.566 30.300 0.390 0.000 1.180 26 R HN 0.497 nan 8.270 nan 0.000 0.450 27 L N 2.694 124.092 121.223 0.291 0.000 2.354 27 L HA 0.606 4.938 4.340 -0.014 0.000 0.269 27 L C -1.167 175.883 176.870 0.299 0.000 1.005 27 L CA -0.540 54.333 54.840 0.056 0.000 0.819 27 L CB 1.841 43.607 42.059 -0.488 0.000 1.311 27 L HN 0.687 nan 8.230 nan 0.000 0.423 28 R N 2.138 122.749 120.500 0.185 0.000 2.534 28 R HA 0.760 5.092 4.340 -0.014 0.000 0.301 28 R C -1.386 174.871 176.300 -0.071 0.000 0.961 28 R CA -0.055 56.037 56.100 -0.013 0.000 0.871 28 R CB 1.445 31.706 30.300 -0.066 0.000 1.170 28 R HN 0.899 nan 8.270 nan 0.000 0.446 29 T N 0.087 114.649 114.554 0.013 0.000 2.864 29 T HA 0.302 4.644 4.350 -0.014 0.000 0.299 29 T C -0.637 174.193 174.700 0.217 0.000 1.166 29 T CA -1.023 61.134 62.100 0.096 0.000 1.007 29 T CB 1.563 70.534 68.868 0.171 0.000 1.219 29 T HN 0.538 nan 8.240 nan 0.000 0.506 30 K N 1.320 121.851 120.400 0.219 0.000 2.489 30 K HA 0.069 4.381 4.320 -0.014 0.000 0.278 30 K C 0.312 177.012 176.600 0.166 0.000 1.000 30 K CA -0.311 56.117 56.287 0.235 0.000 1.012 30 K CB 0.414 32.993 32.500 0.132 0.000 0.903 30 K HN 0.637 nan 8.250 nan 0.000 0.485 31 K N 3.510 123.973 120.400 0.104 0.000 2.504 31 K HA -0.168 4.144 4.320 -0.014 0.000 0.278 31 K C -0.545 176.094 176.600 0.065 0.000 1.025 31 K CA 0.878 57.201 56.287 0.060 0.000 1.093 31 K CB 0.166 32.664 32.500 -0.004 0.000 0.873 31 K HN 0.756 nan 8.250 nan 0.000 0.483 32 D N 2.414 122.864 120.400 0.083 0.000 3.018 32 D HA -0.239 4.393 4.640 -0.014 0.000 0.224 32 D C 0.383 176.744 176.300 0.101 0.000 1.185 32 D CA 1.473 55.526 54.000 0.087 0.000 0.858 32 D CB -0.585 40.238 40.800 0.040 0.000 1.112 32 D HN 0.734 nan 8.370 nan 0.000 0.415 33 D N -0.741 119.732 120.400 0.121 0.000 2.249 33 D HA -0.007 4.625 4.640 -0.014 0.000 0.205 33 D C 0.598 176.962 176.300 0.107 0.000 0.962 33 D CA 0.568 54.623 54.000 0.093 0.000 0.860 33 D CB 0.401 41.247 40.800 0.077 0.000 0.955 33 D HN 0.207 nan 8.370 nan 0.000 0.505 34 I N 1.073 121.751 120.570 0.180 0.000 2.404 34 I HA 0.194 4.355 4.170 -0.014 0.000 0.293 34 I C 0.557 176.826 176.117 0.252 0.000 0.992 34 I CA -0.575 60.821 61.300 0.160 0.000 1.149 34 I CB 1.662 39.696 38.000 0.056 0.000 1.315 34 I HN -0.208 nan 8.210 nan 0.000 0.446 35 D N 4.806 125.315 120.400 0.182 0.000 2.106 35 D HA 0.005 4.636 4.640 -0.014 0.000 0.203 35 D C 0.631 177.097 176.300 0.277 0.000 0.977 35 D CA 1.507 55.634 54.000 0.212 0.000 0.844 35 D CB 0.369 41.262 40.800 0.155 0.000 1.002 35 D HN 0.565 nan 8.370 nan 0.000 0.461 36 R N -0.860 119.740 120.500 0.167 0.000 2.774 36 R HA 0.729 5.061 4.340 -0.014 0.000 0.272 36 R C -1.505 174.714 176.300 -0.135 0.000 1.000 36 R CA -0.896 55.265 56.100 0.102 0.000 0.906 36 R CB 2.085 32.490 30.300 0.175 0.000 1.227 36 R HN -0.224 nan 8.270 nan 0.000 0.468 37 V N 0.970 120.695 119.914 -0.315 0.000 2.760 37 V HA 0.405 4.517 4.120 -0.014 0.000 0.309 37 V C -0.809 175.295 176.094 0.017 0.000 1.077 37 V CA -0.804 61.299 62.300 -0.328 0.000 0.910 37 V CB 2.103 33.391 31.823 -0.892 0.000 1.008 37 V HN 0.773 nan 8.190 nan 0.000 0.424 38 E N 3.008 123.280 120.200 0.120 0.000 2.246 38 E HA 0.485 4.827 4.350 -0.014 0.000 0.266 38 E C -1.238 175.467 176.600 0.176 0.000 0.880 38 E CA -0.930 55.575 56.400 0.176 0.000 0.762 38 E CB 2.898 32.733 29.700 0.226 0.000 1.180 38 E HN 0.554 nan 8.360 nan 0.000 0.416 39 L N 4.048 125.371 121.223 0.166 0.000 2.360 39 L HA 0.277 4.609 4.340 -0.014 0.000 0.276 39 L C -1.073 175.862 176.870 0.109 0.000 1.121 39 L CA 0.025 54.920 54.840 0.092 0.000 0.845 39 L CB 0.437 42.520 42.059 0.041 0.000 1.143 39 L HN 0.581 nan 8.230 nan 0.000 0.452 40 L N 6.546 127.781 121.223 0.021 0.000 2.265 40 L HA 0.551 4.883 4.340 -0.014 0.000 0.289 40 L C -0.967 175.925 176.870 0.037 0.000 1.033 40 L CA -0.329 54.516 54.840 0.009 0.000 0.814 40 L CB 0.274 42.287 42.059 -0.077 0.000 1.203 40 L HN 0.984 nan 8.230 nan 0.000 0.423 41 H N 2.520 121.560 119.070 -0.050 0.000 2.961 41 H HA 0.961 5.509 4.556 -0.014 0.000 0.371 41 H C -0.788 174.489 175.328 -0.086 0.000 1.190 41 H CA -0.491 55.554 56.048 -0.005 0.000 1.138 41 H CB 2.011 31.761 29.762 -0.020 0.000 1.816 41 H HN 0.695 nan 8.280 nan 0.000 0.551 42 G N 0.475 109.330 108.800 0.092 0.000 2.547 42 G HA2 0.208 4.159 3.960 -0.014 0.000 0.291 42 G HA3 0.208 4.159 3.960 -0.014 0.000 0.291 42 G C -1.828 173.284 174.900 0.353 0.000 1.471 42 G CA -0.923 44.171 45.100 -0.010 0.000 0.798 42 G HN 0.828 nan 8.290 nan 0.000 0.504 43 D N 1.423 122.007 120.400 0.306 0.000 2.383 43 D HA 0.165 4.797 4.640 -0.014 0.000 0.252 43 D C -0.904 175.680 176.300 0.474 0.000 1.166 43 D CA -1.420 52.813 54.000 0.389 0.000 0.879 43 D CB 2.020 43.058 40.800 0.398 0.000 1.164 43 D HN 0.066 nan 8.370 nan 0.000 0.462 44 P HA -0.159 nan 4.420 nan 0.000 0.227 44 P C 0.150 177.381 177.300 -0.114 0.000 1.145 44 P CA 1.079 64.154 63.100 -0.042 0.000 0.769 44 P CB -0.101 31.415 31.700 -0.306 0.000 0.769 45 Y N -1.407 119.116 120.300 0.372 0.000 2.527 45 Y HA 0.264 4.806 4.550 -0.014 0.000 0.247 45 Y C 0.688 176.877 175.900 0.481 0.000 1.138 45 Y CA -0.793 57.535 58.100 0.380 0.000 1.228 45 Y CB 0.061 38.621 38.460 0.167 0.000 1.252 45 Y HN -0.130 nan 8.280 nan 0.000 0.531 46 D N 0.538 121.266 120.400 0.546 0.000 2.393 46 D HA 0.111 4.743 4.640 -0.014 0.000 0.232 46 D C -1.426 175.080 176.300 0.343 0.000 1.192 46 D CA -0.050 54.167 54.000 0.362 0.000 0.882 46 D CB 0.038 40.953 40.800 0.193 0.000 1.038 46 D HN 0.034 nan 8.370 nan 0.000 0.499 47 W N 2.852 124.252 121.300 0.167 0.000 2.683 47 W HA 0.426 5.080 4.660 -0.010 0.000 0.329 47 W C -0.302 176.267 176.519 0.084 0.000 1.037 47 W CA -0.827 56.610 57.345 0.153 0.000 1.232 47 W CB 1.526 31.080 29.460 0.156 0.000 1.390 47 W HN 0.123 nan 8.180 nan 0.000 0.465 48 Q N 1.309 121.246 119.800 0.228 0.000 2.365 48 Q HA 0.317 4.649 4.340 -0.014 0.000 0.269 48 Q C 0.241 176.323 176.000 0.136 0.000 1.061 48 Q CA -0.878 55.009 55.803 0.140 0.000 0.816 48 Q CB 1.424 30.194 28.738 0.054 0.000 1.325 48 Q HN 0.439 nan 8.270 nan 0.000 0.446 49 N N 1.572 120.339 118.700 0.111 0.000 2.716 49 N HA -0.230 4.502 4.740 -0.014 0.000 0.250 49 N C 0.111 175.706 175.510 0.142 0.000 1.033 49 N CA 1.424 54.532 53.050 0.097 0.000 0.727 49 N CB -0.971 37.553 38.487 0.062 0.000 0.950 49 N HN 1.006 nan 8.380 nan 0.000 0.541 50 G N -1.781 107.141 108.800 0.204 0.000 2.305 50 G HA2 0.107 4.059 3.960 -0.014 0.000 0.287 50 G HA3 0.107 4.059 3.960 -0.014 0.000 0.287 50 G C 0.083 175.234 174.900 0.418 0.000 1.036 50 G CA 0.727 45.996 45.100 0.282 0.000 0.887 50 G HN 1.421 nan 8.290 nan 0.000 0.505 51 A N -1.189 121.888 122.820 0.428 0.000 2.455 51 A HA 0.605 4.917 4.320 -0.014 0.000 0.300 51 A C -0.452 177.119 177.584 -0.022 0.000 1.040 51 A CA -0.387 51.806 52.037 0.260 0.000 0.697 51 A CB 1.004 20.075 19.000 0.117 0.000 1.265 51 A HN 1.358 nan 8.150 nan 0.000 0.407 52 W N 2.550 123.342 121.300 -0.847 0.000 2.210 52 W HA 0.374 5.029 4.660 -0.008 0.000 0.330 52 W C -0.372 175.876 176.519 -0.452 0.000 1.334 52 W CA 0.059 56.659 57.345 -1.241 0.000 1.227 52 W CB 0.800 29.430 29.460 -1.382 0.000 1.178 52 W HN 0.567 nan 8.180 nan 0.000 0.560 53 Q N 8.201 127.552 119.800 -0.749 0.000 2.503 53 Q HA 0.185 4.517 4.340 -0.014 0.000 0.227 53 Q C -0.764 174.598 176.000 -1.064 0.000 1.109 53 Q CA -0.332 55.040 55.803 -0.719 0.000 0.922 53 Q CB -0.400 28.113 28.738 -0.374 0.000 1.249 53 Q HN 0.441 nan 8.270 nan 0.000 0.530 54 F N -0.687 118.510 119.950 -1.256 0.000 2.572 54 F HA 0.747 5.266 4.527 -0.012 0.000 0.342 54 F C -0.123 175.207 175.800 -0.784 0.000 1.064 54 F CA -1.220 56.000 58.000 -1.300 0.000 1.008 54 F CB 1.303 39.241 39.000 -1.769 0.000 1.303 54 F HN 0.131 nan 8.300 nan 0.000 0.492 55 Q N 0.852 120.269 119.800 -0.639 0.000 2.495 55 Q HA 0.541 4.873 4.340 -0.014 0.000 0.287 55 Q C -1.377 174.431 176.000 -0.320 0.000 1.078 55 Q CA -1.348 54.132 55.803 -0.538 0.000 0.793 55 Q CB 2.949 31.364 28.738 -0.538 0.000 1.459 55 Q HN 0.512 nan 8.270 nan 0.000 0.422 56 M N 1.921 121.441 119.600 -0.133 0.000 2.336 56 M HA 0.516 4.988 4.480 -0.014 0.000 0.342 56 M C -0.842 175.507 176.300 0.082 0.000 1.128 56 M CA -0.121 55.195 55.300 0.026 0.000 1.016 56 M CB 1.203 33.834 32.600 0.053 0.000 1.665 56 M HN 0.694 nan 8.290 nan 0.000 0.445 57 M N 4.735 124.425 119.600 0.150 0.000 2.204 57 M HA 0.485 4.957 4.480 -0.014 0.000 0.293 57 M C -2.656 173.711 176.300 0.111 0.000 0.994 57 M CA -1.442 53.933 55.300 0.125 0.000 0.925 57 M CB 2.746 35.413 32.600 0.112 0.000 1.577 57 M HN 0.228 nan 8.290 nan 0.000 0.439 58 P HA 0.163 nan 4.420 nan 0.000 0.268 58 P C -1.057 176.334 177.300 0.152 0.000 1.204 58 P CA 0.420 63.598 63.100 0.130 0.000 0.768 58 P CB 0.574 32.341 31.700 0.112 0.000 0.842 59 M N 2.766 122.495 119.600 0.215 0.000 2.363 59 M HA 0.364 4.835 4.480 -0.014 0.000 0.343 59 M C 0.592 177.167 176.300 0.458 0.000 1.165 59 M CA -0.491 54.987 55.300 0.297 0.000 1.046 59 M CB 1.589 34.387 32.600 0.331 0.000 1.648 59 M HN 0.188 nan 8.290 nan 0.000 0.452 60 R N 2.292 123.024 120.500 0.387 0.000 2.368 60 R HA 0.265 4.597 4.340 -0.014 0.000 0.302 60 R C -0.538 175.903 176.300 0.235 0.000 1.002 60 R CA -0.561 55.727 56.100 0.314 0.000 0.929 60 R CB 1.041 31.472 30.300 0.219 0.000 1.073 60 R HN 0.573 nan 8.270 nan 0.000 0.464 61 K N 2.687 123.045 120.400 -0.071 0.000 2.349 61 K HA 0.032 4.344 4.320 -0.014 0.000 0.288 61 K C 0.334 176.844 176.600 -0.149 0.000 1.058 61 K CA 0.151 56.138 56.287 -0.500 0.000 0.953 61 K CB 0.882 32.877 32.500 -0.842 0.000 0.997 61 K HN 0.785 nan 8.250 nan 0.000 0.477 62 T N 0.314 114.847 114.554 -0.034 0.000 3.014 62 T HA 0.314 4.656 4.350 -0.014 0.000 0.250 62 T C 0.677 175.459 174.700 0.137 0.000 1.060 62 T CA 0.139 62.294 62.100 0.092 0.000 1.040 62 T CB 0.451 69.433 68.868 0.191 0.000 0.971 62 T HN 0.627 nan 8.240 nan 0.000 0.497 63 G N -0.347 108.469 108.800 0.027 0.000 2.356 63 G HA2 0.508 4.459 3.960 -0.014 0.000 0.294 63 G HA3 0.508 4.459 3.960 -0.014 0.000 0.294 63 G C -1.811 173.094 174.900 0.008 0.000 1.423 63 G CA -0.664 44.461 45.100 0.042 0.000 0.806 63 G HN 0.262 nan 8.290 nan 0.000 0.527 64 S N -0.102 115.641 115.700 0.071 0.000 2.541 64 S HA 0.742 5.204 4.470 -0.014 0.000 0.271 64 S C -1.125 173.534 174.600 0.099 0.000 1.133 64 S CA -0.677 57.584 58.200 0.102 0.000 0.876 64 S CB 2.276 65.511 63.200 0.057 0.000 1.105 64 S HN 1.054 nan 8.310 nan 0.000 0.470 65 D N 0.211 120.697 120.400 0.142 0.000 2.712 65 D HA 0.423 5.055 4.640 -0.014 0.000 0.252 65 D C 0.827 177.104 176.300 -0.039 0.000 1.123 65 D CA -0.597 53.444 54.000 0.069 0.000 1.109 65 D CB -0.117 40.814 40.800 0.218 0.000 1.313 65 D HN 0.229 nan 8.370 nan 0.000 0.629 66 E N -0.538 119.596 120.200 -0.110 0.000 2.108 66 E HA -0.134 4.208 4.350 -0.014 0.000 0.203 66 E C 1.795 178.257 176.600 -0.231 0.000 1.022 66 E CA 1.470 57.771 56.400 -0.166 0.000 0.823 66 E CB -0.242 29.340 29.700 -0.197 0.000 0.744 66 E HN 0.496 nan 8.360 nan 0.000 0.456 67 L N -1.995 118.983 121.223 -0.408 0.000 2.642 67 L HA 0.195 4.527 4.340 -0.014 0.000 0.233 67 L C 0.242 176.717 176.870 -0.659 0.000 1.077 67 L CA -0.128 54.313 54.840 -0.666 0.000 0.879 67 L CB 0.328 41.726 42.059 -1.103 0.000 1.151 67 L HN -0.081 nan 8.230 nan 0.000 0.495 68 F N -1.446 118.487 119.950 -0.029 0.000 2.654 68 F HA 0.526 5.045 4.527 -0.014 0.000 0.334 68 F C -0.361 175.318 175.800 -0.203 0.000 1.078 68 F CA -1.311 56.599 58.000 -0.151 0.000 0.986 68 F CB 0.678 39.469 39.000 -0.347 0.000 1.362 68 F HN -0.297 nan 8.300 nan 0.000 0.498 69 D N -0.148 120.243 120.400 -0.015 0.000 2.248 69 D HA 0.327 4.959 4.640 -0.014 0.000 0.246 69 D C -1.452 174.643 176.300 -0.341 0.000 1.027 69 D CA -0.180 53.735 54.000 -0.142 0.000 0.853 69 D CB 1.762 42.531 40.800 -0.053 0.000 1.243 69 D HN 0.335 nan 8.370 nan 0.000 0.462 70 Y N 0.440 120.590 120.300 -0.249 0.000 2.364 70 Y HA 0.407 4.949 4.550 -0.014 0.000 0.340 70 Y C -0.383 175.395 175.900 -0.204 0.000 0.975 70 Y CA -0.892 57.139 58.100 -0.115 0.000 1.089 70 Y CB 1.320 39.609 38.460 -0.285 0.000 1.192 70 Y HN 0.241 nan 8.280 nan 0.000 0.454 71 W N 3.625 125.064 121.300 0.231 0.000 2.627 71 W HA 0.611 5.262 4.660 -0.014 0.000 0.339 71 W C -1.005 175.692 176.519 0.297 0.000 1.058 71 W CA -0.929 56.548 57.345 0.219 0.000 1.223 71 W CB 1.043 30.579 29.460 0.127 0.000 1.389 71 W HN 0.301 nan 8.180 nan 0.000 0.541 72 F N 1.097 121.224 119.950 0.295 0.000 2.611 72 F HA 0.854 5.373 4.527 -0.014 0.000 0.324 72 F C -0.667 175.193 175.800 0.101 0.000 1.061 72 F CA -1.462 56.625 58.000 0.144 0.000 0.954 72 F CB 1.695 40.718 39.000 0.037 0.000 1.301 72 F HN 0.463 nan 8.300 nan 0.000 0.482 73 A N 3.011 125.223 122.820 -1.013 0.000 2.562 73 A HA 0.513 4.825 4.320 -0.014 0.000 0.305 73 A C -1.867 175.114 177.584 -1.004 0.000 1.059 73 A CA -0.827 50.808 52.037 -0.669 0.000 0.835 73 A CB 0.785 19.622 19.000 -0.272 0.000 1.299 73 A HN 0.743 nan 8.150 nan 0.000 0.392 74 E N 1.462 121.275 120.200 -0.645 0.000 2.183 74 E HA 0.740 5.081 4.350 -0.014 0.000 0.271 74 E C -0.998 175.418 176.600 -0.307 0.000 0.919 74 E CA -0.983 55.151 56.400 -0.443 0.000 0.781 74 E CB 2.469 32.051 29.700 -0.197 0.000 1.140 74 E HN 0.680 nan 8.360 nan 0.000 0.402 75 V N 2.273 121.998 119.914 -0.315 0.000 3.001 75 V HA 0.437 4.548 4.120 -0.014 0.000 0.314 75 V C -1.445 174.509 176.094 -0.234 0.000 1.099 75 V CA -0.865 61.233 62.300 -0.336 0.000 0.989 75 V CB 2.132 33.630 31.823 -0.542 0.000 1.040 75 V HN 0.724 nan 8.190 nan 0.000 0.434 76 K N 5.883 126.173 120.400 -0.185 0.000 2.592 76 K HA 0.418 4.730 4.320 -0.014 0.000 0.212 76 K C -2.654 173.879 176.600 -0.112 0.000 1.013 76 K CA -1.501 54.707 56.287 -0.132 0.000 1.034 76 K CB 1.305 33.749 32.500 -0.093 0.000 1.292 76 K HN 0.545 nan 8.250 nan 0.000 0.521 77 P HA -0.015 nan 4.420 nan 0.000 0.264 77 P C -2.266 174.989 177.300 -0.075 0.000 1.183 77 P CA -0.802 62.277 63.100 -0.034 0.000 0.763 77 P CB 0.625 32.320 31.700 -0.007 0.000 0.807 78 P HA -0.145 nan 4.420 nan 0.000 0.214 78 P C 0.356 177.355 177.300 -0.501 0.000 1.163 78 P CA 1.837 64.741 63.100 -0.326 0.000 0.889 78 P CB -0.260 31.251 31.700 -0.314 0.000 0.790 79 Y N -1.989 118.320 120.300 0.014 0.000 2.720 79 Y HA 0.384 4.926 4.550 -0.014 0.000 0.277 79 Y C 0.676 176.504 175.900 -0.120 0.000 1.144 79 Y CA -0.495 57.609 58.100 0.006 0.000 1.221 79 Y CB -0.254 38.261 38.460 0.091 0.000 1.163 79 Y HN -0.184 nan 8.280 nan 0.000 0.537 80 R N -0.582 119.838 120.500 -0.134 0.000 3.994 80 R HA -0.216 4.116 4.340 -0.014 0.000 0.403 80 R C -0.381 175.712 176.300 -0.344 0.000 1.126 80 R CA 0.910 56.762 56.100 -0.412 0.000 1.143 80 R CB -1.556 28.189 30.300 -0.924 0.000 1.695 80 R HN 0.377 nan 8.270 nan 0.000 0.555 81 R N 0.379 120.892 120.500 0.023 0.000 2.637 81 R HA 0.698 5.030 4.340 -0.014 0.000 0.291 81 R C -0.967 175.493 176.300 0.266 0.000 0.963 81 R CA -0.945 55.297 56.100 0.235 0.000 0.901 81 R CB 1.795 32.348 30.300 0.422 0.000 1.160 81 R HN -0.000 nan 8.270 nan 0.000 0.457 82 L N 1.370 122.780 121.223 0.312 0.000 2.543 82 L HA 0.435 4.767 4.340 -0.014 0.000 0.265 82 L C -1.397 175.718 176.870 0.408 0.000 0.945 82 L CA -0.473 54.568 54.840 0.334 0.000 0.869 82 L CB 1.815 44.026 42.059 0.254 0.000 1.294 82 L HN 0.467 nan 8.230 nan 0.000 0.405 83 R N 3.614 124.333 120.500 0.365 0.000 2.532 83 R HA 0.715 5.047 4.340 -0.014 0.000 0.295 83 R C -1.525 174.988 176.300 0.355 0.000 0.968 83 R CA -0.482 55.759 56.100 0.235 0.000 0.916 83 R CB 1.771 32.015 30.300 -0.094 0.000 1.124 83 R HN 0.719 nan 8.270 nan 0.000 0.463 84 Y N -2.112 118.263 120.300 0.125 0.000 2.656 84 Y HA 0.751 5.292 4.550 -0.015 0.000 0.334 84 Y C -0.623 175.319 175.900 0.070 0.000 1.179 84 Y CA -1.118 57.007 58.100 0.041 0.000 1.050 84 Y CB 1.119 39.566 38.460 -0.021 0.000 1.308 84 Y HN 0.685 nan 8.280 nan 0.000 0.456 85 G N 0.264 109.020 108.800 -0.074 0.000 2.782 85 G HA2 0.679 4.630 3.960 -0.014 0.000 0.304 85 G HA3 0.679 4.630 3.960 -0.014 0.000 0.304 85 G C -2.474 172.038 174.900 -0.648 0.000 1.315 85 G CA -1.126 43.831 45.100 -0.238 0.000 0.791 85 G HN 0.518 nan 8.290 nan 0.000 0.519 86 F N -0.558 119.489 119.950 0.162 0.000 2.556 86 F HA 0.597 5.115 4.527 -0.015 0.000 0.314 86 F C -0.139 175.689 175.800 0.047 0.000 1.106 86 F CA -0.927 57.142 58.000 0.116 0.000 0.911 86 F CB 2.729 41.819 39.000 0.151 0.000 1.190 86 F HN 0.246 nan 8.300 nan 0.000 0.448 87 V N 4.347 124.329 119.914 0.113 0.000 2.384 87 V HA 0.503 4.615 4.120 -0.014 0.000 0.287 87 V C -0.617 175.310 176.094 -0.278 0.000 1.020 87 V CA -0.619 61.619 62.300 -0.103 0.000 0.850 87 V CB 1.339 33.084 31.823 -0.129 0.000 0.987 87 V HN 0.471 nan 8.190 nan 0.000 0.436 88 L N 5.734 126.752 121.223 -0.342 0.000 2.307 88 L HA 0.599 4.931 4.340 -0.014 0.000 0.284 88 L C -0.752 175.838 176.870 -0.467 0.000 1.023 88 L CA -0.215 54.416 54.840 -0.348 0.000 0.810 88 L CB 1.237 43.185 42.059 -0.185 0.000 1.231 88 L HN 0.490 nan 8.230 nan 0.000 0.423 89 Y N 0.860 121.133 120.300 -0.046 0.000 2.393 89 Y HA 0.684 5.232 4.550 -0.003 0.000 0.341 89 Y C 0.321 176.223 175.900 0.003 0.000 0.988 89 Y CA -0.644 57.452 58.100 -0.005 0.000 1.078 89 Y CB 2.309 40.772 38.460 0.006 0.000 1.203 89 Y HN 0.493 nan 8.280 nan 0.000 0.453 90 S N 2.250 118.053 115.700 0.171 0.000 2.461 90 S HA 0.537 4.999 4.470 -0.014 0.000 0.245 90 S C -0.085 174.576 174.600 0.102 0.000 1.039 90 S CA 0.071 58.339 58.200 0.113 0.000 1.077 90 S CB -0.245 62.996 63.200 0.068 0.000 1.171 90 S HN 1.429 nan 8.310 nan 0.000 0.433 91 G N 4.558 113.416 108.800 0.096 0.000 2.539 91 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.256 91 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.256 91 G C 0.065 175.020 174.900 0.093 0.000 1.233 91 G CA 0.564 45.710 45.100 0.076 0.000 0.936 91 G HN 0.672 nan 8.290 nan 0.000 0.571 92 E N 1.213 121.460 120.200 0.078 0.000 2.502 92 E HA 0.244 4.586 4.350 -0.014 0.000 0.194 92 E C 1.084 177.750 176.600 0.111 0.000 1.062 92 E CA 0.664 57.117 56.400 0.088 0.000 0.867 92 E CB 0.257 29.994 29.700 0.062 0.000 0.888 92 E HN 0.557 nan 8.360 nan 0.000 0.510 93 E N 1.586 121.851 120.200 0.108 0.000 2.366 93 E HA 0.141 4.483 4.350 -0.014 0.000 0.266 93 E C -0.400 176.270 176.600 0.117 0.000 1.051 93 E CA -0.214 56.251 56.400 0.107 0.000 0.884 93 E CB 0.639 30.387 29.700 0.079 0.000 1.006 93 E HN -0.143 nan 8.360 nan 0.000 0.417 94 K N 4.588 125.048 120.400 0.100 0.000 2.501 94 K HA 0.406 4.718 4.320 -0.014 0.000 0.252 94 K C -1.754 174.834 176.600 -0.020 0.000 0.934 94 K CA -0.620 55.665 56.287 -0.003 0.000 0.797 94 K CB 1.037 33.569 32.500 0.054 0.000 1.270 94 K HN 0.480 nan 8.250 nan 0.000 0.431 95 L N 3.648 124.791 121.223 -0.134 0.000 2.431 95 L HA 0.504 4.836 4.340 -0.014 0.000 0.266 95 L C -1.030 175.805 176.870 -0.058 0.000 0.978 95 L CA -1.270 53.499 54.840 -0.118 0.000 0.822 95 L CB 2.367 44.372 42.059 -0.091 0.000 1.310 95 L HN 0.355 nan 8.230 nan 0.000 0.409 96 V N 2.819 122.727 119.914 -0.009 0.000 2.334 96 V HA 0.241 4.353 4.120 -0.014 0.000 0.281 96 V C -0.930 175.251 176.094 0.146 0.000 1.016 96 V CA -0.583 61.750 62.300 0.055 0.000 0.832 96 V CB 1.346 33.177 31.823 0.012 0.000 0.999 96 V HN 0.439 nan 8.190 nan 0.000 0.439 97 Y N 5.662 125.976 120.300 0.023 0.000 2.367 97 Y HA 0.636 5.178 4.550 -0.015 0.000 0.342 97 Y C 0.517 176.364 175.900 -0.089 0.000 0.979 97 Y CA -0.651 57.371 58.100 -0.129 0.000 1.161 97 Y CB 1.072 39.560 38.460 0.047 0.000 1.155 97 Y HN 0.805 nan 8.280 nan 0.000 0.503 98 T N 0.592 114.827 114.554 -0.532 0.000 2.858 98 T HA 0.282 4.623 4.350 -0.014 0.000 0.285 98 T C 0.731 174.603 174.700 -1.380 0.000 1.052 98 T CA -0.518 60.998 62.100 -0.973 0.000 1.009 98 T CB 1.475 69.870 68.868 -0.789 0.000 1.241 98 T HN 0.644 nan 8.240 nan 0.000 0.542 99 E N -0.085 119.112 120.200 -1.672 0.000 2.204 99 E HA -0.056 4.286 4.350 -0.014 0.000 0.194 99 E C 1.586 177.877 176.600 -0.515 0.000 0.989 99 E CA 0.804 56.511 56.400 -1.156 0.000 0.824 99 E CB -0.007 29.192 29.700 -0.835 0.000 0.756 99 E HN 0.515 nan 8.360 nan 0.000 0.477 100 K N -0.301 119.850 120.400 -0.416 0.000 2.426 100 K HA 0.165 4.477 4.320 -0.014 0.000 0.193 100 K C 0.089 176.603 176.600 -0.145 0.000 1.028 100 K CA 0.598 56.784 56.287 -0.168 0.000 1.047 100 K CB 0.878 33.385 32.500 0.013 0.000 0.821 100 K HN 0.308 nan 8.250 nan 0.000 0.513 101 G N -1.037 107.604 108.800 -0.266 0.000 2.318 101 G HA2 -0.113 3.839 3.960 -0.014 0.000 0.367 101 G HA3 -0.113 3.839 3.960 -0.014 0.000 0.367 101 G C -1.225 173.383 174.900 -0.488 0.000 1.260 101 G CA -1.009 43.897 45.100 -0.324 0.000 1.055 101 G HN -0.003 nan 8.290 nan 0.000 0.484 102 F N 0.219 119.986 119.950 -0.304 0.000 2.379 102 F HA 0.794 5.312 4.527 -0.015 0.000 0.332 102 F C 0.405 175.732 175.800 -0.789 0.000 1.096 102 F CA 0.001 57.778 58.000 -0.372 0.000 1.105 102 F CB 1.377 40.174 39.000 -0.339 0.000 1.189 102 F HN 0.474 nan 8.300 nan 0.000 0.515 103 Y N 0.083 120.225 120.300 -0.263 0.000 2.638 103 Y HA 0.405 4.947 4.550 -0.014 0.000 0.339 103 Y C -0.260 175.286 175.900 -0.590 0.000 1.084 103 Y CA -0.973 56.916 58.100 -0.353 0.000 1.068 103 Y CB 1.257 39.588 38.460 -0.215 0.000 1.294 103 Y HN 0.391 nan 8.280 nan 0.000 0.480 104 F N -0.454 119.600 119.950 0.173 0.000 2.682 104 F HA 0.369 4.887 4.527 -0.015 0.000 0.308 104 F C -0.039 175.801 175.800 0.067 0.000 1.093 104 F CA 0.043 58.097 58.000 0.090 0.000 1.244 104 F CB 0.757 39.793 39.000 0.060 0.000 1.052 104 F HN 0.215 nan 8.300 nan 0.000 0.573 105 E N 0.239 120.539 120.200 0.167 0.000 2.388 105 E HA 0.187 4.529 4.350 -0.014 0.000 0.289 105 E C -0.929 175.658 176.600 -0.023 0.000 0.944 105 E CA -0.423 56.028 56.400 0.085 0.000 0.792 105 E CB 2.959 32.720 29.700 0.102 0.000 1.239 105 E HN -0.286 nan 8.360 nan 0.000 0.412 106 V N 5.257 125.142 119.914 -0.050 0.000 2.539 106 V HA -0.031 4.081 4.120 -0.014 0.000 0.294 106 V C -1.548 174.406 176.094 -0.234 0.000 0.994 106 V CA -0.113 62.094 62.300 -0.154 0.000 1.169 106 V CB -0.817 30.919 31.823 -0.145 0.000 0.898 106 V HN 0.405 nan 8.190 nan 0.000 0.471 107 P HA 0.243 nan 4.420 nan 0.000 0.274 107 P C 0.333 177.436 177.300 -0.327 0.000 1.231 107 P CA -0.076 62.669 63.100 -0.592 0.000 0.790 107 P CB 1.252 32.060 31.700 -1.486 0.000 0.951 108 T N -4.214 110.263 114.554 -0.129 0.000 3.186 108 T HA 0.026 4.368 4.350 -0.014 0.000 0.292 108 T C 0.677 175.475 174.700 0.164 0.000 0.915 108 T CA -0.209 61.919 62.100 0.047 0.000 0.902 108 T CB -0.573 68.361 68.868 0.110 0.000 1.192 108 T HN 0.383 nan 8.240 nan 0.000 0.563 109 D N 1.091 121.614 120.400 0.206 0.000 2.336 109 D HA 0.145 4.777 4.640 -0.014 0.000 0.229 109 D C 0.042 176.600 176.300 0.429 0.000 1.061 109 D CA 0.149 54.336 54.000 0.312 0.000 0.875 109 D CB 0.172 41.101 40.800 0.215 0.000 0.904 109 D HN 0.441 nan 8.370 nan 0.000 0.525 110 D N -1.002 119.684 120.400 0.476 0.000 2.734 110 D HA 0.009 4.641 4.640 -0.014 0.000 0.224 110 D C 0.198 176.659 176.300 0.269 0.000 1.222 110 D CA -0.207 54.034 54.000 0.402 0.000 0.761 110 D CB 1.361 42.246 40.800 0.142 0.000 1.569 110 D HN -0.116 nan 8.370 nan 0.000 0.477 111 T N -0.259 114.327 114.554 0.053 0.000 3.107 111 T HA 0.366 4.708 4.350 -0.014 0.000 0.249 111 T C 1.462 176.089 174.700 -0.121 0.000 1.096 111 T CA 0.636 62.568 62.100 -0.280 0.000 1.012 111 T CB 0.303 68.807 68.868 -0.607 0.000 0.977 111 T HN 0.326 nan 8.240 nan 0.000 0.527 112 A N 0.582 123.307 122.820 -0.159 0.000 2.067 112 A HA 0.165 4.477 4.320 -0.014 0.000 0.217 112 A C 1.709 179.101 177.584 -0.320 0.000 1.156 112 A CA 0.413 52.298 52.037 -0.254 0.000 0.683 112 A CB -0.899 17.913 19.000 -0.313 0.000 0.808 112 A HN 0.599 nan 8.150 nan 0.000 0.455 113 Y N -1.273 118.797 120.300 -0.383 0.000 2.333 113 Y HA -0.094 4.449 4.550 -0.011 0.000 0.290 113 Y C 0.463 175.834 175.900 -0.882 0.000 1.144 113 Y CA 0.427 58.133 58.100 -0.657 0.000 1.228 113 Y CB -0.721 37.144 38.460 -0.993 0.000 0.985 113 Y HN 0.362 nan 8.280 nan 0.000 0.542 114 Y N -1.132 118.969 120.300 -0.333 0.000 2.335 114 Y HA 0.331 4.872 4.550 -0.014 0.000 0.323 114 Y C 0.134 175.709 175.900 -0.541 0.000 1.224 114 Y CA -2.152 55.641 58.100 -0.513 0.000 1.241 114 Y CB 0.130 38.340 38.460 -0.417 0.000 1.235 114 Y HN -0.256 nan 8.280 nan 0.000 0.492 115 F N 0.753 120.455 119.950 -0.415 0.000 2.539 115 F HA 0.230 4.748 4.527 -0.015 0.000 0.340 115 F C 0.626 176.163 175.800 -0.438 0.000 1.185 115 F CA -0.345 57.349 58.000 -0.510 0.000 1.333 115 F CB 0.258 38.761 39.000 -0.828 0.000 1.152 115 F HN 0.423 nan 8.300 nan 0.000 0.602 116 C N 3.724 123.088 119.300 0.108 0.000 2.609 116 C HA 0.595 5.047 4.460 -0.014 0.000 0.313 116 C C -1.044 174.208 174.990 0.437 0.000 1.175 116 C CA -1.099 58.074 59.018 0.258 0.000 1.434 116 C CB 0.047 27.861 27.740 0.123 0.000 2.005 116 C HN 0.675 nan 8.230 nan 0.000 0.471 117 F N 7.424 127.617 119.950 0.406 0.000 2.366 117 F HA 0.433 4.952 4.527 -0.013 0.000 0.357 117 F C -1.597 174.356 175.800 0.256 0.000 1.107 117 F CA -2.008 56.177 58.000 0.309 0.000 1.208 117 F CB 1.104 40.246 39.000 0.237 0.000 1.464 117 F HN 0.501 nan 8.300 nan 0.000 0.501 118 P HA -0.247 nan 4.420 nan 0.000 0.221 118 P C -0.395 177.169 177.300 0.440 0.000 1.160 118 P CA 1.871 65.118 63.100 0.245 0.000 0.933 118 P CB 0.187 31.970 31.700 0.138 0.000 0.793 119 F N -3.853 116.211 119.950 0.190 0.000 2.719 119 F HA 0.385 4.905 4.527 -0.013 0.000 0.309 119 F C -1.566 174.367 175.800 0.222 0.000 1.138 119 F CA -1.048 57.055 58.000 0.172 0.000 0.943 119 F CB 1.056 40.091 39.000 0.060 0.000 1.304 119 F HN -0.423 nan 8.300 nan 0.000 0.445 120 L N 4.654 125.813 121.223 -0.107 0.000 2.282 120 L HA 0.476 4.807 4.340 -0.014 0.000 0.288 120 L C -0.939 175.913 176.870 -0.030 0.000 1.033 120 L CA -0.582 54.290 54.840 0.053 0.000 0.807 120 L CB 1.133 43.130 42.059 -0.103 0.000 1.209 120 L HN 0.485 nan 8.230 nan 0.000 0.423 121 H N 2.916 122.180 119.070 0.324 0.000 2.589 121 H HA 0.224 4.772 4.556 -0.013 0.000 0.351 121 H C 0.300 175.738 175.328 0.182 0.000 1.074 121 H CA -0.597 55.617 56.048 0.277 0.000 1.203 121 H CB 2.690 32.604 29.762 0.253 0.000 1.558 121 H HN 0.571 nan 8.280 nan 0.000 0.522 122 R N 2.058 122.711 120.500 0.256 0.000 2.091 122 R HA -0.128 4.204 4.340 -0.014 0.000 0.238 122 R C 1.635 178.024 176.300 0.150 0.000 1.136 122 R CA 2.049 58.247 56.100 0.163 0.000 0.959 122 R CB -0.126 30.249 30.300 0.124 0.000 0.856 122 R HN 0.441 nan 8.270 nan 0.000 0.437 123 V N -1.665 118.344 119.914 0.159 0.000 2.759 123 V HA -0.090 4.021 4.120 -0.014 0.000 0.256 123 V C 0.787 176.948 176.094 0.111 0.000 1.080 123 V CA 1.868 64.233 62.300 0.108 0.000 1.101 123 V CB -0.300 31.568 31.823 0.075 0.000 0.698 123 V HN 0.164 nan 8.190 nan 0.000 0.477 124 D N -0.001 120.499 120.400 0.167 0.000 2.339 124 D HA 0.261 4.893 4.640 -0.014 0.000 0.217 124 D C 0.570 176.988 176.300 0.197 0.000 1.050 124 D CA -0.064 54.039 54.000 0.172 0.000 0.856 124 D CB 0.366 41.292 40.800 0.210 0.000 0.922 124 D HN 0.403 nan 8.370 nan 0.000 0.518 125 L N 0.672 122.001 121.223 0.176 0.000 2.467 125 L HA 0.180 4.512 4.340 -0.014 0.000 0.270 125 L C -0.365 176.607 176.870 0.171 0.000 1.205 125 L CA -0.198 54.745 54.840 0.172 0.000 0.828 125 L CB 0.348 42.473 42.059 0.110 0.000 1.101 125 L HN -0.147 nan 8.230 nan 0.000 0.479 126 F N 4.080 124.053 119.950 0.039 0.000 2.410 126 F HA 0.419 4.938 4.527 -0.013 0.000 0.349 126 F C -0.134 175.652 175.800 -0.023 0.000 1.117 126 F CA -0.299 57.709 58.000 0.015 0.000 1.104 126 F CB 0.538 39.539 39.000 0.002 0.000 1.122 126 F HN 0.595 nan 8.300 nan 0.000 0.483 127 E N 5.962 125.872 120.200 -0.483 0.000 2.317 127 E HA 0.601 4.943 4.350 -0.014 0.000 0.270 127 E C -1.987 174.380 176.600 -0.388 0.000 0.899 127 E CA -0.862 55.356 56.400 -0.304 0.000 0.814 127 E CB 1.275 30.897 29.700 -0.130 0.000 1.296 127 E HN 0.813 nan 8.360 nan 0.000 0.404 128 A N 4.742 127.392 122.820 -0.284 0.000 2.295 128 A HA 0.651 4.963 4.320 -0.014 0.000 0.318 128 A C -2.440 175.061 177.584 -0.138 0.000 1.134 128 A CA -1.694 50.238 52.037 -0.175 0.000 0.827 128 A CB 0.473 19.450 19.000 -0.039 0.000 1.136 128 A HN 0.544 nan 8.150 nan 0.000 0.493 129 P HA -0.033 nan 4.420 nan 0.000 0.260 129 P C 0.318 177.382 177.300 -0.394 0.000 1.185 129 P CA 0.243 63.210 63.100 -0.221 0.000 0.763 129 P CB 0.496 32.042 31.700 -0.257 0.000 0.776 130 D N 3.582 123.878 120.400 -0.174 0.000 2.218 130 D HA -0.143 4.489 4.640 -0.014 0.000 0.204 130 D C 1.381 177.596 176.300 -0.141 0.000 0.976 130 D CA 1.036 54.958 54.000 -0.130 0.000 0.853 130 D CB 0.037 40.827 40.800 -0.017 0.000 0.939 130 D HN 0.527 nan 8.370 nan 0.000 0.481 131 W N 1.733 123.002 121.300 -0.051 0.000 2.363 131 W HA -0.180 4.472 4.660 -0.013 0.000 0.296 131 W C 1.905 178.354 176.519 -0.118 0.000 1.212 131 W CA 1.450 58.749 57.345 -0.076 0.000 1.260 131 W CB -1.411 28.007 29.460 -0.069 0.000 1.131 131 W HN -0.083 nan 8.180 nan 0.000 0.530 132 V N 1.342 120.641 119.914 -1.025 0.000 2.380 132 V HA -0.314 3.798 4.120 -0.014 0.000 0.251 132 V C 2.304 178.186 176.094 -0.352 0.000 1.063 132 V CA 2.438 64.181 62.300 -0.928 0.000 1.055 132 V CB -1.155 29.804 31.823 -1.440 0.000 0.657 132 V HN 0.179 nan 8.190 nan 0.000 0.455 133 K N 0.519 120.759 120.400 -0.265 0.000 2.360 133 K HA -0.095 4.217 4.320 -0.014 0.000 0.201 133 K C 1.066 177.622 176.600 -0.073 0.000 1.046 133 K CA 1.488 57.699 56.287 -0.128 0.000 0.945 133 K CB -0.247 32.197 32.500 -0.093 0.000 0.750 133 K HN 0.607 nan 8.250 nan 0.000 0.464 134 D N 0.398 120.766 120.400 -0.054 0.000 2.479 134 D HA 0.046 4.678 4.640 -0.014 0.000 0.218 134 D C -0.265 176.006 176.300 -0.047 0.000 1.177 134 D CA 0.177 54.158 54.000 -0.032 0.000 0.830 134 D CB 0.829 41.625 40.800 -0.007 0.000 1.014 134 D HN -0.025 nan 8.370 nan 0.000 0.503 135 T N 0.552 115.055 114.554 -0.085 0.000 2.907 135 T HA 0.423 4.764 4.350 -0.014 0.000 0.284 135 T C 0.241 174.820 174.700 -0.202 0.000 1.004 135 T CA -0.412 61.571 62.100 -0.194 0.000 1.063 135 T CB 2.674 71.324 68.868 -0.364 0.000 0.992 135 T HN -0.275 nan 8.240 nan 0.000 0.483 136 V N 2.970 122.759 119.914 -0.209 0.000 2.376 136 V HA 0.337 4.449 4.120 -0.014 0.000 0.287 136 V C -0.806 175.259 176.094 -0.048 0.000 1.015 136 V CA -1.154 61.102 62.300 -0.073 0.000 0.834 136 V CB 0.679 32.487 31.823 -0.025 0.000 1.001 136 V HN 0.837 nan 8.190 nan 0.000 0.428 137 W N 3.259 124.591 121.300 0.053 0.000 2.183 137 W HA 0.531 5.182 4.660 -0.014 0.000 0.348 137 W C -0.394 176.255 176.519 0.218 0.000 1.257 137 W CA -0.242 57.197 57.345 0.157 0.000 1.324 137 W CB 0.582 30.157 29.460 0.191 0.000 1.144 137 W HN 0.534 nan 8.180 nan 0.000 0.622 138 Y N 1.844 122.402 120.300 0.429 0.000 2.333 138 Y HA 0.182 4.724 4.550 -0.014 0.000 0.324 138 Y C -0.260 175.801 175.900 0.267 0.000 1.033 138 Y CA -1.179 57.083 58.100 0.269 0.000 1.224 138 Y CB 0.936 39.482 38.460 0.143 0.000 1.120 138 Y HN 0.406 nan 8.280 nan 0.000 0.457 139 Q N 6.536 126.404 119.800 0.114 0.000 2.295 139 Q HA 0.493 4.825 4.340 -0.014 0.000 0.259 139 Q C -1.341 174.619 176.000 -0.067 0.000 0.976 139 Q CA -0.122 55.736 55.803 0.092 0.000 0.923 139 Q CB 0.601 29.527 28.738 0.314 0.000 1.185 139 Q HN 0.756 nan 8.270 nan 0.000 0.410 140 I N 3.927 124.377 120.570 -0.200 0.000 2.474 140 I HA 0.280 4.442 4.170 -0.014 0.000 0.294 140 I C -0.925 175.004 176.117 -0.315 0.000 1.005 140 I CA -0.918 60.173 61.300 -0.349 0.000 1.113 140 I CB 1.438 39.137 38.000 -0.502 0.000 1.289 140 I HN 0.634 nan 8.210 nan 0.000 0.436 141 F N 8.863 128.465 119.950 -0.579 0.000 2.300 141 F HA 0.436 4.955 4.527 -0.014 0.000 0.364 141 F C -1.853 173.727 175.800 -0.368 0.000 1.090 141 F CA -2.392 55.375 58.000 -0.387 0.000 1.200 141 F CB 0.679 39.539 39.000 -0.233 0.000 1.493 141 F HN 0.271 nan 8.300 nan 0.000 0.518 142 P HA -0.301 nan 4.420 nan 0.000 0.222 142 P C 1.505 178.553 177.300 -0.419 0.000 1.159 142 P CA 1.607 64.375 63.100 -0.553 0.000 0.920 142 P CB 0.220 31.300 31.700 -1.034 0.000 0.793 143 E N -1.120 118.827 120.200 -0.422 0.000 2.396 143 E HA -0.183 4.158 4.350 -0.014 0.000 0.200 143 E C 0.811 177.481 176.600 0.116 0.000 1.023 143 E CA 0.935 57.310 56.400 -0.042 0.000 0.857 143 E CB -0.032 29.682 29.700 0.022 0.000 0.775 143 E HN 0.165 nan 8.360 nan 0.000 0.525 144 R N -1.397 119.154 120.500 0.085 0.000 2.616 144 R HA 0.102 4.434 4.340 -0.014 0.000 0.427 144 R C 0.990 177.460 176.300 0.283 0.000 1.030 144 R CA -0.244 55.889 56.100 0.054 0.000 1.133 144 R CB -0.488 29.854 30.300 0.070 0.000 1.444 144 R HN 0.052 nan 8.270 nan 0.000 0.578 145 F N 1.042 121.129 119.950 0.230 0.000 2.315 145 F HA 0.519 5.038 4.527 -0.013 0.000 0.284 145 F C 0.020 176.165 175.800 0.574 0.000 1.049 145 F CA -0.061 58.107 58.000 0.281 0.000 1.323 145 F CB 0.533 39.573 39.000 0.065 0.000 1.113 145 F HN -0.021 nan 8.300 nan 0.000 0.544 146 A N 0.533 123.518 122.820 0.276 0.000 2.549 146 A HA 0.295 4.607 4.320 -0.014 0.000 0.306 146 A C -1.196 176.246 177.584 -0.236 0.000 1.053 146 A CA -0.578 51.224 52.037 -0.392 0.000 0.892 146 A CB -0.562 18.174 19.000 -0.440 0.000 1.329 146 A HN 0.167 nan 8.150 nan 0.000 0.388 147 N N 2.056 120.521 118.700 -0.391 0.000 2.892 147 N HA 0.245 4.977 4.740 -0.014 0.000 0.300 147 N C 1.387 176.833 175.510 -0.107 0.000 1.211 147 N CA 0.805 53.816 53.050 -0.066 0.000 1.158 147 N CB 0.178 38.706 38.487 0.069 0.000 1.455 147 N HN 0.793 nan 8.380 nan 0.000 0.524 148 G N 1.377 110.126 108.800 -0.085 0.000 2.470 148 G HA2 -0.235 3.717 3.960 -0.014 0.000 0.220 148 G HA3 -0.235 3.717 3.960 -0.014 0.000 0.220 148 G C 0.543 175.415 174.900 -0.048 0.000 1.121 148 G CA 0.224 45.268 45.100 -0.093 0.000 0.766 148 G HN 0.571 nan 8.290 nan 0.000 0.553 149 N N -0.324 118.376 118.700 -0.000 0.000 2.617 149 N HA 0.286 5.018 4.740 -0.014 0.000 0.263 149 N C -2.429 173.110 175.510 0.047 0.000 1.074 149 N CA -1.648 51.416 53.050 0.024 0.000 0.841 149 N CB 2.231 40.747 38.487 0.049 0.000 1.221 149 N HN -0.191 nan 8.380 nan 0.000 0.529 150 P HA -0.032 nan 4.420 nan 0.000 0.226 150 P C 1.209 178.542 177.300 0.055 0.000 1.153 150 P CA 0.822 63.952 63.100 0.049 0.000 0.777 150 P CB 0.359 32.077 31.700 0.030 0.000 0.794 151 S N -0.187 115.543 115.700 0.050 0.000 2.414 151 S HA -0.081 4.381 4.470 -0.014 0.000 0.227 151 S C 1.800 176.442 174.600 0.070 0.000 1.022 151 S CA 0.773 59.003 58.200 0.050 0.000 0.958 151 S CB -1.353 61.871 63.200 0.040 0.000 0.797 151 S HN 0.295 nan 8.310 nan 0.000 0.493 152 I N -0.726 119.900 120.570 0.095 0.000 3.603 152 I HA 0.248 4.410 4.170 -0.014 0.000 0.297 152 I C 0.102 176.338 176.117 0.199 0.000 1.269 152 I CA -0.432 60.951 61.300 0.138 0.000 1.361 152 I CB -0.460 37.621 38.000 0.136 0.000 1.063 152 I HN -0.035 nan 8.210 nan 0.000 0.448 153 S N 4.774 120.558 115.700 0.140 0.000 2.573 153 S HA 0.087 4.549 4.470 -0.014 0.000 0.297 153 S C -1.945 172.639 174.600 -0.028 0.000 1.280 153 S CA -0.583 57.678 58.200 0.103 0.000 1.061 153 S CB -0.330 62.933 63.200 0.105 0.000 0.812 153 S HN 0.360 nan 8.310 nan 0.000 0.500 154 P HA 0.089 nan 4.420 nan 0.000 0.269 154 P C -0.314 176.802 177.300 -0.305 0.000 1.215 154 P CA -0.306 62.444 63.100 -0.583 0.000 0.780 154 P CB 0.490 31.463 31.700 -1.211 0.000 0.898 155 E N 0.670 120.721 120.200 -0.249 0.000 2.392 155 E HA 0.225 4.567 4.350 -0.014 0.000 0.264 155 E C 1.494 178.028 176.600 -0.110 0.000 1.024 155 E CA 0.858 57.182 56.400 -0.126 0.000 0.903 155 E CB -0.097 29.553 29.700 -0.084 0.000 0.963 155 E HN 0.831 nan 8.360 nan 0.000 0.432 156 G N 2.537 111.303 108.800 -0.056 0.000 2.195 156 G HA2 -0.316 3.636 3.960 -0.014 0.000 0.246 156 G HA3 -0.316 3.636 3.960 -0.014 0.000 0.246 156 G C 0.577 175.450 174.900 -0.046 0.000 0.984 156 G CA 0.409 45.488 45.100 -0.034 0.000 0.633 156 G HN 0.544 nan 8.290 nan 0.000 0.525 157 S N 2.036 117.708 115.700 -0.047 0.000 2.714 157 S HA 0.333 4.794 4.470 -0.014 0.000 0.318 157 S C 1.285 175.832 174.600 -0.088 0.000 1.219 157 S CA -0.108 58.063 58.200 -0.047 0.000 1.175 157 S CB 0.056 63.273 63.200 0.028 0.000 0.961 157 S HN 0.420 nan 8.310 nan 0.000 0.518 158 R N 4.704 125.043 120.500 -0.268 0.000 2.784 158 R HA 0.234 4.566 4.340 -0.014 0.000 0.266 158 R C -2.412 173.879 176.300 -0.015 0.000 1.044 158 R CA -2.023 53.951 56.100 -0.209 0.000 1.151 158 R CB -1.087 28.981 30.300 -0.386 0.000 1.037 158 R HN 0.435 nan 8.270 nan 0.000 0.478 159 P HA -0.096 nan 4.420 nan 0.000 0.265 159 P C -0.139 177.374 177.300 0.355 0.000 1.187 159 P CA 0.053 63.279 63.100 0.210 0.000 0.766 159 P CB 0.353 32.147 31.700 0.156 0.000 0.820 160 W N 3.775 125.214 121.300 0.233 0.000 2.520 160 W HA 0.093 4.745 4.660 -0.014 0.000 0.337 160 W C 1.012 177.654 176.519 0.205 0.000 1.406 160 W CA 1.869 59.374 57.345 0.268 0.000 1.318 160 W CB -0.445 29.128 29.460 0.189 0.000 1.338 160 W HN 0.836 nan 8.180 nan 0.000 0.570 161 G N 2.885 111.627 108.800 -0.097 0.000 2.179 161 G HA2 -0.420 3.532 3.960 -0.014 0.000 0.260 161 G HA3 -0.420 3.532 3.960 -0.014 0.000 0.260 161 G C 1.256 176.209 174.900 0.088 0.000 0.977 161 G CA 0.805 45.869 45.100 -0.061 0.000 0.641 161 G HN 0.685 nan 8.290 nan 0.000 0.533 162 S N 0.452 116.270 115.700 0.197 0.000 2.434 162 S HA -0.135 4.327 4.470 -0.014 0.000 0.240 162 S C 1.399 176.079 174.600 0.132 0.000 1.052 162 S CA 2.573 60.872 58.200 0.164 0.000 1.198 162 S CB -0.187 63.111 63.200 0.163 0.000 1.124 162 S HN 1.320 nan 8.310 nan 0.000 0.426 163 E N 0.077 120.389 120.200 0.187 0.000 2.437 163 E HA 0.404 4.746 4.350 -0.014 0.000 0.253 163 E C -1.474 175.211 176.600 0.141 0.000 0.905 163 E CA -0.803 55.673 56.400 0.127 0.000 0.871 163 E CB -0.515 29.246 29.700 0.101 0.000 1.649 163 E HN 0.158 nan 8.360 nan 0.000 0.422 164 D N 1.626 122.083 120.400 0.095 0.000 2.372 164 D HA 0.375 5.007 4.640 -0.014 0.000 0.243 164 D C -2.135 174.258 176.300 0.154 0.000 1.121 164 D CA -1.142 52.897 54.000 0.066 0.000 0.898 164 D CB 0.447 41.266 40.800 0.031 0.000 1.202 164 D HN 0.123 nan 8.370 nan 0.000 0.428 165 P HA 0.174 nan 4.420 nan 0.000 0.275 165 P C -0.434 176.944 177.300 0.129 0.000 1.228 165 P CA -0.402 62.822 63.100 0.207 0.000 0.786 165 P CB 0.653 32.404 31.700 0.084 0.000 0.927 166 T N -1.893 112.735 114.554 0.125 0.000 2.942 166 T HA 0.448 4.790 4.350 -0.014 0.000 0.289 166 T C -1.994 172.740 174.700 0.057 0.000 1.044 166 T CA -2.336 59.803 62.100 0.065 0.000 1.023 166 T CB 1.239 70.132 68.868 0.040 0.000 1.123 166 T HN 0.176 nan 8.240 nan 0.000 0.512 167 P HA -0.011 nan 4.420 nan 0.000 0.234 167 P C 0.806 178.127 177.300 0.036 0.000 1.162 167 P CA 0.864 64.007 63.100 0.072 0.000 0.759 167 P CB -0.348 31.393 31.700 0.069 0.000 0.813 168 T N -5.714 108.823 114.554 -0.029 0.000 3.192 168 T HA 0.143 4.484 4.350 -0.014 0.000 0.295 168 T C 0.652 175.197 174.700 -0.259 0.000 0.947 168 T CA -0.251 61.773 62.100 -0.127 0.000 0.916 168 T CB -0.462 68.383 68.868 -0.039 0.000 1.169 168 T HN 0.133 nan 8.240 nan 0.000 0.540 169 S N 0.895 116.483 115.700 -0.187 0.000 2.624 169 S HA 0.767 5.229 4.470 -0.014 0.000 0.263 169 S C -0.757 173.614 174.600 -0.382 0.000 1.287 169 S CA -0.513 57.575 58.200 -0.187 0.000 0.990 169 S CB 0.356 63.532 63.200 -0.041 0.000 0.950 169 S HN 0.238 nan 8.310 nan 0.000 0.561 170 F N -0.758 119.110 119.950 -0.137 0.000 2.588 170 F HA 0.590 5.109 4.527 -0.014 0.000 0.310 170 F C -0.503 175.128 175.800 -0.282 0.000 1.082 170 F CA -1.101 56.875 58.000 -0.039 0.000 0.929 170 F CB 1.957 40.921 39.000 -0.061 0.000 1.254 170 F HN 0.561 nan 8.300 nan 0.000 0.455 171 F N 0.361 120.453 119.950 0.238 0.000 2.837 171 F HA 0.351 4.870 4.527 -0.013 0.000 0.328 171 F C 1.160 177.139 175.800 0.299 0.000 1.173 171 F CA -0.438 57.648 58.000 0.144 0.000 1.160 171 F CB 0.818 39.727 39.000 -0.153 0.000 1.115 171 F HN 0.688 nan 8.300 nan 0.000 0.512 172 G N 0.968 110.010 108.800 0.402 0.000 2.258 172 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.274 172 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.274 172 G C 0.817 175.952 174.900 0.393 0.000 1.021 172 G CA 0.074 45.380 45.100 0.343 0.000 0.798 172 G HN 0.779 nan 8.290 nan 0.000 0.507 173 G N -0.119 108.947 108.800 0.444 0.000 2.441 173 G HA2 0.568 4.520 3.960 -0.014 0.000 0.243 173 G HA3 0.568 4.520 3.960 -0.014 0.000 0.243 173 G C -0.014 174.903 174.900 0.028 0.000 1.281 173 G CA 0.597 45.902 45.100 0.342 0.000 0.854 173 G HN 0.982 nan 8.290 nan 0.000 0.560 174 D N -0.051 120.328 120.400 -0.035 0.000 2.643 174 D HA 0.212 4.844 4.640 -0.014 0.000 0.283 174 D C 1.150 177.383 176.300 -0.112 0.000 1.242 174 D CA -0.956 52.955 54.000 -0.149 0.000 0.863 174 D CB 0.615 41.464 40.800 0.081 0.000 1.382 174 D HN 0.178 nan 8.370 nan 0.000 0.444 175 L N -0.865 120.319 121.223 -0.065 0.000 2.127 175 L HA -0.193 4.139 4.340 -0.014 0.000 0.211 175 L C 2.362 179.257 176.870 0.043 0.000 1.089 175 L CA 1.440 56.280 54.840 0.001 0.000 0.757 175 L CB -0.467 41.634 42.059 0.071 0.000 0.899 175 L HN 0.499 nan 8.230 nan 0.000 0.434 176 Q N 0.454 120.280 119.800 0.043 0.000 2.020 176 Q HA -0.136 4.195 4.340 -0.014 0.000 0.202 176 Q C 2.216 178.228 176.000 0.021 0.000 0.982 176 Q CA 2.013 57.832 55.803 0.027 0.000 0.838 176 Q CB -0.753 27.992 28.738 0.012 0.000 0.899 176 Q HN 0.392 nan 8.270 nan 0.000 0.423 177 G N 0.714 109.530 108.800 0.027 0.000 2.505 177 G HA2 -0.286 3.666 3.960 -0.014 0.000 0.220 177 G HA3 -0.286 3.666 3.960 -0.014 0.000 0.220 177 G C 1.442 176.469 174.900 0.211 0.000 1.145 177 G CA 1.280 46.408 45.100 0.048 0.000 0.761 177 G HN 0.444 nan 8.290 nan 0.000 0.571 178 I N 0.464 121.209 120.570 0.293 0.000 2.179 178 I HA -0.146 4.016 4.170 -0.014 0.000 0.242 178 I C 2.710 178.971 176.117 0.240 0.000 1.088 178 I CA 0.876 62.427 61.300 0.419 0.000 1.357 178 I CB -0.283 37.846 38.000 0.214 0.000 1.051 178 I HN 0.157 nan 8.210 nan 0.000 0.409 179 I N 0.804 121.442 120.570 0.112 0.000 2.163 179 I HA -0.322 3.840 4.170 -0.014 0.000 0.243 179 I C 1.917 178.031 176.117 -0.004 0.000 1.085 179 I CA 1.439 62.767 61.300 0.047 0.000 1.347 179 I CB -0.580 37.432 38.000 0.021 0.000 1.044 179 I HN 0.261 nan 8.210 nan 0.000 0.408 180 D N -0.364 119.996 120.400 -0.066 0.000 2.309 180 D HA -0.150 4.482 4.640 -0.014 0.000 0.212 180 D C 1.657 177.699 176.300 -0.431 0.000 0.968 180 D CA 1.247 55.091 54.000 -0.260 0.000 0.882 180 D CB -0.156 40.417 40.800 -0.377 0.000 0.918 180 D HN 0.520 nan 8.370 nan 0.000 0.503 181 H N -0.632 118.368 119.070 -0.117 0.000 2.893 181 H HA 0.211 4.759 4.556 -0.014 0.000 0.270 181 H C 2.081 177.477 175.328 0.114 0.000 1.095 181 H CA -0.162 55.831 56.048 -0.092 0.000 1.186 181 H CB 0.913 30.536 29.762 -0.231 0.000 1.562 181 H HN 0.081 nan 8.280 nan 0.000 0.536 182 L N 0.577 121.901 121.223 0.169 0.000 2.151 182 L HA -0.250 4.082 4.340 -0.014 0.000 0.215 182 L C 1.928 178.848 176.870 0.083 0.000 1.084 182 L CA 1.330 56.239 54.840 0.115 0.000 0.764 182 L CB -0.272 41.815 42.059 0.047 0.000 0.891 182 L HN 0.193 nan 8.230 nan 0.000 0.435 183 D N -0.751 119.690 120.400 0.068 0.000 2.149 183 D HA -0.245 4.387 4.640 -0.014 0.000 0.198 183 D C 1.912 178.285 176.300 0.121 0.000 0.990 183 D CA 1.413 55.447 54.000 0.057 0.000 0.839 183 D CB -0.153 40.660 40.800 0.021 0.000 0.948 183 D HN 0.405 nan 8.370 nan 0.000 0.460 184 Y N 1.544 121.900 120.300 0.093 0.000 2.181 184 Y HA -0.144 4.398 4.550 -0.013 0.000 0.288 184 Y C 2.128 178.104 175.900 0.126 0.000 1.146 184 Y CA 1.235 59.435 58.100 0.167 0.000 1.164 184 Y CB -0.455 38.200 38.460 0.326 0.000 0.982 184 Y HN -0.091 nan 8.280 nan 0.000 0.515 185 L N -1.268 119.862 121.223 -0.156 0.000 2.072 185 L HA -0.144 4.188 4.340 -0.014 0.000 0.205 185 L C 2.381 179.115 176.870 -0.226 0.000 1.079 185 L CA 0.848 55.474 54.840 -0.356 0.000 0.752 185 L CB -0.792 41.106 42.059 -0.269 0.000 0.906 185 L HN 0.063 nan 8.230 nan 0.000 0.436 186 V N 0.580 120.427 119.914 -0.112 0.000 2.287 186 V HA -0.343 3.769 4.120 -0.014 0.000 0.248 186 V C 2.270 178.314 176.094 -0.082 0.000 1.053 186 V CA 2.264 64.516 62.300 -0.080 0.000 1.027 186 V CB -0.613 31.185 31.823 -0.042 0.000 0.646 186 V HN 0.560 nan 8.190 nan 0.000 0.447 187 D N 0.098 120.457 120.400 -0.068 0.000 2.092 187 D HA -0.234 4.398 4.640 -0.014 0.000 0.193 187 D C 2.013 178.267 176.300 -0.077 0.000 0.994 187 D CA 1.651 55.629 54.000 -0.037 0.000 0.828 187 D CB -0.298 40.518 40.800 0.027 0.000 0.963 187 D HN 0.222 nan 8.370 nan 0.000 0.450 188 L N -0.344 120.766 121.223 -0.188 0.000 2.089 188 L HA 0.018 4.350 4.340 -0.014 0.000 0.213 188 L C 1.937 178.702 176.870 -0.175 0.000 1.079 188 L CA 2.618 57.302 54.840 -0.260 0.000 0.758 188 L CB -0.761 41.021 42.059 -0.462 0.000 0.891 188 L HN 0.531 nan 8.230 nan 0.000 0.433 189 G N -2.445 106.271 108.800 -0.140 0.000 2.205 189 G HA2 -0.152 3.799 3.960 -0.014 0.000 0.180 189 G HA3 -0.152 3.799 3.960 -0.014 0.000 0.180 189 G C 0.221 175.068 174.900 -0.087 0.000 1.004 189 G CA -0.044 44.998 45.100 -0.096 0.000 0.670 189 G HN 0.177 nan 8.290 nan 0.000 0.496 190 I N 2.598 123.108 120.570 -0.100 0.000 2.710 190 I HA 0.247 4.409 4.170 -0.014 0.000 0.286 190 I C 1.687 177.749 176.117 -0.092 0.000 1.181 190 I CA 1.726 62.987 61.300 -0.066 0.000 1.430 190 I CB 0.795 38.754 38.000 -0.068 0.000 1.367 190 I HN 0.380 nan 8.210 nan 0.000 0.577 191 T N 1.175 115.656 114.554 -0.123 0.000 3.231 191 T HA 0.509 4.851 4.350 -0.014 0.000 0.292 191 T C 0.301 174.836 174.700 -0.276 0.000 1.001 191 T CA -0.230 61.768 62.100 -0.170 0.000 0.920 191 T CB 0.072 68.843 68.868 -0.162 0.000 1.140 191 T HN 0.856 nan 8.240 nan 0.000 0.525 192 G N 0.819 109.466 108.800 -0.255 0.000 2.752 192 G HA2 0.580 4.532 3.960 -0.014 0.000 0.298 192 G HA3 0.580 4.532 3.960 -0.014 0.000 0.298 192 G C -1.655 173.349 174.900 0.172 0.000 1.434 192 G CA -0.790 44.093 45.100 -0.361 0.000 1.004 192 G HN 0.369 nan 8.290 nan 0.000 0.560 193 I N 2.160 122.937 120.570 0.345 0.000 2.418 193 I HA 0.312 4.474 4.170 -0.014 0.000 0.287 193 I C -1.114 175.355 176.117 0.587 0.000 1.008 193 I CA -1.043 60.516 61.300 0.433 0.000 1.104 193 I CB 2.089 40.197 38.000 0.180 0.000 1.264 193 I HN 0.581 nan 8.210 nan 0.000 0.438 194 Y N 8.090 128.643 120.300 0.420 0.000 2.331 194 Y HA 0.662 5.204 4.550 -0.013 0.000 0.338 194 Y C -1.579 174.366 175.900 0.074 0.000 0.976 194 Y CA -1.205 57.011 58.100 0.192 0.000 1.137 194 Y CB 0.932 39.452 38.460 0.100 0.000 1.172 194 Y HN 0.369 nan 8.280 nan 0.000 0.478 195 L N 6.413 127.512 121.223 -0.207 0.000 2.329 195 L HA 0.515 4.846 4.340 -0.014 0.000 0.279 195 L C 0.688 177.261 176.870 -0.496 0.000 1.014 195 L CA -1.015 53.586 54.840 -0.400 0.000 0.814 195 L CB 2.062 43.979 42.059 -0.236 0.000 1.257 195 L HN 0.804 nan 8.230 nan 0.000 0.424 196 T N -0.043 114.191 114.554 -0.535 0.000 2.698 196 T HA 0.267 4.609 4.350 -0.014 0.000 0.295 196 T C -2.470 171.988 174.700 -0.403 0.000 1.007 196 T CA -1.530 60.327 62.100 -0.406 0.000 0.980 196 T CB -0.042 68.609 68.868 -0.363 0.000 1.036 196 T HN 0.273 nan 8.240 nan 0.000 0.526 197 P HA 0.084 nan 4.420 nan 0.000 0.261 197 P C 0.322 177.351 177.300 -0.452 0.000 1.165 197 P CA 0.371 63.130 63.100 -0.568 0.000 0.759 197 P CB -0.056 31.241 31.700 -0.673 0.000 0.772 198 I N -1.910 118.279 120.570 -0.635 0.000 4.225 198 I HA 0.305 4.467 4.170 -0.014 0.000 0.327 198 I C -0.251 175.615 176.117 -0.420 0.000 1.422 198 I CA -0.288 60.793 61.300 -0.365 0.000 1.150 198 I CB 0.062 37.944 38.000 -0.198 0.000 1.192 198 I HN -0.067 nan 8.210 nan 0.000 0.440 199 F N 1.763 121.551 119.950 -0.271 0.000 2.291 199 F HA 0.480 4.998 4.527 -0.014 0.000 0.305 199 F C 1.174 176.826 175.800 -0.245 0.000 1.171 199 F CA -1.227 56.637 58.000 -0.227 0.000 1.090 199 F CB 0.082 38.971 39.000 -0.185 0.000 1.436 199 F HN -0.099 nan 8.300 nan 0.000 0.509 200 R N 0.729 121.270 120.500 0.069 0.000 2.421 200 R HA 0.349 4.681 4.340 -0.014 0.000 0.305 200 R C -0.734 175.540 176.300 -0.044 0.000 1.039 200 R CA 0.368 56.450 56.100 -0.029 0.000 1.003 200 R CB -0.009 30.306 30.300 0.025 0.000 0.959 200 R HN 0.650 nan 8.270 nan 0.000 0.427 201 S N 4.258 119.915 115.700 -0.071 0.000 2.535 201 S HA 0.354 4.816 4.470 -0.014 0.000 0.272 201 S C -2.180 172.424 174.600 0.007 0.000 1.149 201 S CA -1.330 56.850 58.200 -0.033 0.000 0.888 201 S CB 1.871 65.029 63.200 -0.069 0.000 1.110 201 S HN 0.558 nan 8.310 nan 0.000 0.463 202 P HA 0.003 nan 4.420 nan 0.000 0.223 202 P C 0.728 178.119 177.300 0.151 0.000 1.151 202 P CA 0.595 63.754 63.100 0.098 0.000 0.787 202 P CB -0.178 31.578 31.700 0.094 0.000 0.788 203 S N 0.988 116.702 115.700 0.022 0.000 2.661 203 S HA 0.109 4.571 4.470 -0.014 0.000 0.265 203 S C 1.090 175.656 174.600 -0.057 0.000 1.225 203 S CA -0.220 57.910 58.200 -0.116 0.000 0.986 203 S CB -0.076 62.789 63.200 -0.559 0.000 1.008 203 S HN 0.060 nan 8.310 nan 0.000 0.565 204 N N -0.570 117.963 118.700 -0.279 0.000 2.353 204 N HA 0.035 4.767 4.740 -0.014 0.000 0.185 204 N C 0.760 176.253 175.510 -0.028 0.000 1.098 204 N CA 0.798 53.749 53.050 -0.164 0.000 0.872 204 N CB -0.641 37.582 38.487 -0.440 0.000 0.970 204 N HN 0.919 nan 8.380 nan 0.000 0.467 205 H N -1.994 117.146 119.070 0.116 0.000 2.855 205 H HA 0.439 4.987 4.556 -0.013 0.000 0.259 205 H C 0.065 175.351 175.328 -0.071 0.000 0.972 205 H CA -0.231 55.910 56.048 0.154 0.000 1.213 205 H CB 0.453 30.541 29.762 0.544 0.000 1.451 205 H HN -0.168 nan 8.280 nan 0.000 0.484 206 K N -0.403 119.933 120.400 -0.106 0.000 3.281 206 K HA -0.249 4.063 4.320 -0.014 0.000 0.295 206 K C -0.366 176.208 176.600 -0.042 0.000 1.233 206 K CA 0.935 57.149 56.287 -0.122 0.000 0.866 206 K CB -2.829 29.522 32.500 -0.249 0.000 1.265 206 K HN 0.493 nan 8.250 nan 0.000 0.482 207 Y N 1.488 122.020 120.300 0.386 0.000 2.546 207 Y HA -0.037 4.504 4.550 -0.014 0.000 0.287 207 Y C 0.956 176.962 175.900 0.177 0.000 1.158 207 Y CA 0.806 59.043 58.100 0.228 0.000 1.307 207 Y CB 0.267 38.837 38.460 0.182 0.000 1.036 207 Y HN 0.167 nan 8.280 nan 0.000 0.532 208 D N -0.541 120.037 120.400 0.298 0.000 2.590 208 D HA 0.083 4.715 4.640 -0.014 0.000 0.280 208 D C -0.314 176.029 176.300 0.072 0.000 1.197 208 D CA -0.353 53.778 54.000 0.217 0.000 0.967 208 D CB -0.360 40.588 40.800 0.248 0.000 0.987 208 D HN -0.089 nan 8.370 nan 0.000 0.508 209 T N 0.132 114.655 114.554 -0.052 0.000 2.923 209 T HA 0.304 4.646 4.350 -0.014 0.000 0.304 209 T C 1.241 175.876 174.700 -0.109 0.000 1.044 209 T CA 0.146 62.100 62.100 -0.243 0.000 1.141 209 T CB 1.485 69.870 68.868 -0.805 0.000 1.023 209 T HN 0.489 nan 8.240 nan 0.000 0.533 210 A N 1.651 124.458 122.820 -0.021 0.000 2.127 210 A HA 0.350 4.662 4.320 -0.014 0.000 0.204 210 A C 0.663 178.438 177.584 0.319 0.000 1.243 210 A CA -0.002 52.145 52.037 0.184 0.000 0.887 210 A CB 0.498 19.577 19.000 0.133 0.000 0.933 210 A HN 0.723 nan 8.150 nan 0.000 0.479 211 D N -1.657 118.844 120.400 0.169 0.000 2.354 211 D HA 0.303 4.935 4.640 -0.014 0.000 0.230 211 D C -0.512 175.895 176.300 0.179 0.000 1.361 211 D CA -0.486 53.702 54.000 0.312 0.000 0.992 211 D CB 0.144 41.098 40.800 0.257 0.000 1.409 211 D HN 0.107 nan 8.370 nan 0.000 0.573 212 Y N 1.591 122.041 120.300 0.249 0.000 2.483 212 Y HA 0.025 4.567 4.550 -0.014 0.000 0.291 212 Y C 1.399 177.059 175.900 -0.399 0.000 1.143 212 Y CA 0.798 58.839 58.100 -0.098 0.000 1.289 212 Y CB -0.132 38.258 38.460 -0.117 0.000 0.983 212 Y HN 0.358 nan 8.280 nan 0.000 0.556 213 F N -0.224 119.788 119.950 0.104 0.000 2.668 213 F HA 0.246 4.765 4.527 -0.013 0.000 0.297 213 F C 0.174 175.984 175.800 0.017 0.000 1.124 213 F CA -0.133 57.791 58.000 -0.126 0.000 1.353 213 F CB 0.334 39.118 39.000 -0.360 0.000 0.992 213 F HN -0.172 nan 8.300 nan 0.000 0.524 214 E N 0.820 121.192 120.200 0.286 0.000 2.260 214 E HA 0.274 4.616 4.350 -0.014 0.000 0.266 214 E C -0.673 176.121 176.600 0.323 0.000 0.887 214 E CA -0.452 56.121 56.400 0.289 0.000 0.777 214 E CB 2.955 32.768 29.700 0.188 0.000 1.205 214 E HN -0.200 nan 8.360 nan 0.000 0.414 215 V N 2.495 122.635 119.914 0.377 0.000 2.740 215 V HA -0.053 4.059 4.120 -0.014 0.000 0.303 215 V C 0.844 176.996 176.094 0.095 0.000 1.054 215 V CA 0.142 62.611 62.300 0.281 0.000 1.106 215 V CB 0.706 32.678 31.823 0.248 0.000 0.957 215 V HN 0.594 nan 8.190 nan 0.000 0.486 216 D N 5.833 126.188 120.400 -0.076 0.000 2.401 216 D HA 0.080 4.712 4.640 -0.014 0.000 0.254 216 D C -1.556 174.597 176.300 -0.245 0.000 1.192 216 D CA -1.352 52.489 54.000 -0.266 0.000 0.885 216 D CB 1.795 42.229 40.800 -0.610 0.000 1.147 216 D HN 0.263 nan 8.370 nan 0.000 0.478 217 P HA -0.207 nan 4.420 nan 0.000 0.219 217 P C 0.791 177.962 177.300 -0.215 0.000 1.153 217 P CA 1.300 64.240 63.100 -0.266 0.000 0.865 217 P CB 0.053 31.510 31.700 -0.405 0.000 0.788 218 H N -3.420 115.648 119.070 -0.004 0.000 2.559 218 H HA 0.057 4.605 4.556 -0.014 0.000 0.273 218 H C 1.371 176.937 175.328 0.396 0.000 1.000 218 H CA 0.735 56.851 56.048 0.113 0.000 1.195 218 H CB -0.339 29.448 29.762 0.042 0.000 1.368 218 H HN 0.226 nan 8.280 nan 0.000 0.592 219 F N -0.407 119.589 119.950 0.078 0.000 2.514 219 F HA 0.410 4.929 4.527 -0.014 0.000 0.281 219 F C 1.718 177.551 175.800 0.055 0.000 1.060 219 F CA 0.655 58.692 58.000 0.062 0.000 1.397 219 F CB 0.192 39.203 39.000 0.017 0.000 1.129 219 F HN 0.250 nan 8.300 nan 0.000 0.620 220 G N -0.443 108.506 108.800 0.249 0.000 2.455 220 G HA2 0.351 4.303 3.960 -0.014 0.000 0.223 220 G HA3 0.351 4.303 3.960 -0.014 0.000 0.223 220 G C -2.087 172.897 174.900 0.140 0.000 1.226 220 G CA -0.156 45.043 45.100 0.164 0.000 0.948 220 G HN 0.191 nan 8.290 nan 0.000 0.478 221 D N -1.257 119.236 120.400 0.155 0.000 2.652 221 D HA 0.510 5.142 4.640 -0.014 0.000 0.285 221 D C 0.860 177.305 176.300 0.241 0.000 1.173 221 D CA -0.736 53.369 54.000 0.176 0.000 0.981 221 D CB 1.242 42.129 40.800 0.145 0.000 1.440 221 D HN 0.432 nan 8.370 nan 0.000 0.485 222 K N -0.261 120.325 120.400 0.310 0.000 2.089 222 K HA -0.263 4.049 4.320 -0.014 0.000 0.210 222 K C 1.653 178.533 176.600 0.467 0.000 1.048 222 K CA 1.824 58.398 56.287 0.479 0.000 0.926 222 K CB -0.079 32.778 32.500 0.595 0.000 0.714 222 K HN 0.622 nan 8.250 nan 0.000 0.448 223 E N 0.502 120.879 120.200 0.295 0.000 2.085 223 E HA -0.187 4.155 4.350 -0.014 0.000 0.194 223 E C 1.506 178.226 176.600 0.200 0.000 0.994 223 E CA 1.740 58.268 56.400 0.213 0.000 0.801 223 E CB 0.068 29.852 29.700 0.141 0.000 0.743 223 E HN 0.261 nan 8.360 nan 0.000 0.453 224 T N 1.409 116.077 114.554 0.190 0.000 2.857 224 T HA -0.125 4.217 4.350 -0.014 0.000 0.266 224 T C 1.756 176.561 174.700 0.175 0.000 1.048 224 T CA 0.931 63.124 62.100 0.155 0.000 1.139 224 T CB -0.190 68.760 68.868 0.136 0.000 0.874 224 T HN 0.125 nan 8.240 nan 0.000 0.455 225 L N 1.111 122.474 121.223 0.234 0.000 2.056 225 L HA 0.136 4.468 4.340 -0.014 0.000 0.207 225 L C 2.216 179.271 176.870 0.307 0.000 1.078 225 L CA 1.791 56.767 54.840 0.228 0.000 0.749 225 L CB -0.550 41.622 42.059 0.188 0.000 0.901 225 L HN -0.050 nan 8.230 nan 0.000 0.433 226 K N -0.953 119.701 120.400 0.425 0.000 2.026 226 K HA -0.153 4.159 4.320 -0.014 0.000 0.208 226 K C 2.264 178.975 176.600 0.184 0.000 1.048 226 K CA 1.937 58.429 56.287 0.343 0.000 0.929 226 K CB -0.878 31.754 32.500 0.220 0.000 0.713 226 K HN 0.406 nan 8.250 nan 0.000 0.439 227 T N 0.322 114.963 114.554 0.147 0.000 2.684 227 T HA -0.154 4.188 4.350 -0.014 0.000 0.267 227 T C 1.723 176.466 174.700 0.071 0.000 1.036 227 T CA 1.587 63.742 62.100 0.091 0.000 1.148 227 T CB -0.373 68.541 68.868 0.076 0.000 0.863 227 T HN 0.216 nan 8.240 nan 0.000 0.436 228 L N 0.977 122.246 121.223 0.076 0.000 1.989 228 L HA 0.011 4.343 4.340 -0.014 0.000 0.211 228 L C 2.317 179.192 176.870 0.009 0.000 1.071 228 L CA 1.831 56.697 54.840 0.044 0.000 0.749 228 L CB -0.903 41.185 42.059 0.049 0.000 0.890 228 L HN 0.418 nan 8.230 nan 0.000 0.431 229 I N -0.226 120.359 120.570 0.025 0.000 2.099 229 I HA -0.314 3.847 4.170 -0.014 0.000 0.239 229 I C 2.240 178.288 176.117 -0.115 0.000 1.066 229 I CA 1.643 62.901 61.300 -0.071 0.000 1.324 229 I CB -0.734 37.293 38.000 0.045 0.000 1.037 229 I HN 0.319 nan 8.210 nan 0.000 0.401 230 D N 0.509 120.948 120.400 0.065 0.000 2.116 230 D HA -0.225 4.407 4.640 -0.014 0.000 0.193 230 D C 2.249 178.590 176.300 0.068 0.000 0.998 230 D CA 1.333 55.413 54.000 0.134 0.000 0.836 230 D CB -0.299 40.563 40.800 0.105 0.000 0.951 230 D HN 0.084 nan 8.370 nan 0.000 0.449 231 R N 0.272 120.787 120.500 0.024 0.000 2.096 231 R HA -0.029 4.303 4.340 -0.014 0.000 0.235 231 R C 2.311 178.599 176.300 -0.019 0.000 1.127 231 R CA 0.772 56.876 56.100 0.008 0.000 0.968 231 R CB -0.904 29.400 30.300 0.007 0.000 0.861 231 R HN 0.200 nan 8.270 nan 0.000 0.440 232 C N -0.518 118.738 119.300 -0.073 0.000 2.429 232 C HA -0.065 4.387 4.460 -0.014 0.000 0.277 232 C C 2.406 177.324 174.990 -0.120 0.000 1.262 232 C CA 0.588 59.535 59.018 -0.119 0.000 1.733 232 C CB -1.047 26.580 27.740 -0.188 0.000 2.010 232 C HN 0.539 nan 8.230 nan 0.000 0.483 233 H N 0.966 120.010 119.070 -0.043 0.000 2.352 233 H HA -0.113 4.434 4.556 -0.014 0.000 0.299 233 H C 2.141 177.429 175.328 -0.067 0.000 1.097 233 H CA 1.675 57.681 56.048 -0.071 0.000 1.311 233 H CB -0.580 29.144 29.762 -0.063 0.000 1.377 233 H HN 0.654 nan 8.280 nan 0.000 0.504 234 E N 0.697 120.944 120.200 0.079 0.000 2.085 234 E HA -0.128 4.214 4.350 -0.014 0.000 0.194 234 E C 1.543 178.142 176.600 -0.003 0.000 0.994 234 E CA 0.742 57.157 56.400 0.025 0.000 0.801 234 E CB 0.110 29.820 29.700 0.016 0.000 0.743 234 E HN 0.249 nan 8.360 nan 0.000 0.453 235 K N 0.041 120.433 120.400 -0.014 0.000 2.522 235 K HA 0.067 4.379 4.320 -0.014 0.000 0.194 235 K C 0.721 177.295 176.600 -0.044 0.000 1.026 235 K CA 0.602 56.871 56.287 -0.030 0.000 1.119 235 K CB 0.246 32.727 32.500 -0.033 0.000 0.856 235 K HN 0.256 nan 8.250 nan 0.000 0.513 236 G N 2.152 110.929 108.800 -0.038 0.000 2.338 236 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.296 236 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.296 236 G C -0.035 174.807 174.900 -0.097 0.000 1.040 236 G CA -0.008 45.056 45.100 -0.060 0.000 1.004 236 G HN 0.396 nan 8.290 nan 0.000 0.509 237 I N 1.103 121.609 120.570 -0.105 0.000 2.537 237 I HA 0.256 4.418 4.170 -0.014 0.000 0.276 237 I C 0.819 176.824 176.117 -0.186 0.000 1.063 237 I CA -1.023 60.190 61.300 -0.144 0.000 1.144 237 I CB 0.709 38.645 38.000 -0.106 0.000 1.252 237 I HN 0.066 nan 8.210 nan 0.000 0.480 238 R N 3.679 124.032 120.500 -0.245 0.000 2.697 238 R HA 0.218 4.550 4.340 -0.014 0.000 0.265 238 R C -0.510 175.760 176.300 -0.051 0.000 1.009 238 R CA -0.034 55.924 56.100 -0.237 0.000 1.099 238 R CB 0.862 30.885 30.300 -0.461 0.000 0.965 238 R HN 0.255 nan 8.270 nan 0.000 0.428 239 V N 4.253 124.180 119.914 0.023 0.000 2.555 239 V HA 0.445 4.556 4.120 -0.014 0.000 0.302 239 V C 0.068 176.302 176.094 0.233 0.000 1.038 239 V CA -0.736 61.641 62.300 0.128 0.000 0.887 239 V CB 1.767 33.579 31.823 -0.018 0.000 0.991 239 V HN 0.711 nan 8.190 nan 0.000 0.434 240 M N 5.643 125.430 119.600 0.311 0.000 2.327 240 M HA 0.669 5.141 4.480 -0.014 0.000 0.298 240 M C -1.999 174.339 176.300 0.063 0.000 1.065 240 M CA -0.418 54.991 55.300 0.183 0.000 0.916 240 M CB 1.765 34.499 32.600 0.223 0.000 1.630 240 M HN 0.529 nan 8.290 nan 0.000 0.442 241 L N 2.279 123.413 121.223 -0.149 0.000 2.352 241 L HA 0.537 4.869 4.340 -0.014 0.000 0.269 241 L C -0.338 176.591 176.870 0.099 0.000 1.034 241 L CA -0.941 53.803 54.840 -0.159 0.000 0.806 241 L CB 1.391 43.180 42.059 -0.449 0.000 1.244 241 L HN 0.633 nan 8.230 nan 0.000 0.447 242 D N 1.324 121.776 120.400 0.086 0.000 2.249 242 D HA 0.430 5.061 4.640 -0.014 0.000 0.246 242 D C -0.734 175.656 176.300 0.150 0.000 1.114 242 D CA -0.084 54.001 54.000 0.142 0.000 0.854 242 D CB 1.809 42.647 40.800 0.062 0.000 1.132 242 D HN 0.550 nan 8.370 nan 0.000 0.461 243 A N 4.007 126.858 122.820 0.051 0.000 2.277 243 A HA 0.399 4.711 4.320 -0.014 0.000 0.318 243 A C -0.319 177.007 177.584 -0.431 0.000 1.339 243 A CA -0.695 51.120 52.037 -0.370 0.000 0.875 243 A CB 0.608 18.888 19.000 -1.199 0.000 1.158 243 A HN 0.364 nan 8.150 nan 0.000 0.514 244 V N 4.466 124.337 119.914 -0.071 0.000 2.222 244 V HA 0.106 4.218 4.120 -0.014 0.000 0.253 244 V C 0.207 176.427 176.094 0.210 0.000 1.210 244 V CA 0.163 62.471 62.300 0.014 0.000 1.079 244 V CB -1.155 30.690 31.823 0.037 0.000 1.265 244 V HN 0.822 nan 8.190 nan 0.000 0.494 245 F N 1.611 121.507 119.950 -0.089 0.000 2.698 245 F HA 0.113 4.632 4.527 -0.014 0.000 0.295 245 F C 2.021 177.672 175.800 -0.249 0.000 1.124 245 F CA -0.005 57.851 58.000 -0.239 0.000 1.426 245 F CB -0.870 37.936 39.000 -0.324 0.000 1.120 245 F HN 0.436 nan 8.300 nan 0.000 0.583 246 N N -0.338 118.382 118.700 0.034 0.000 2.188 246 N HA -0.142 4.590 4.740 -0.014 0.000 0.184 246 N C 0.236 175.863 175.510 0.195 0.000 1.018 246 N CA 1.187 54.308 53.050 0.118 0.000 0.858 246 N CB 0.032 38.700 38.487 0.302 0.000 0.989 246 N HN 0.300 nan 8.380 nan 0.000 0.426 247 H N -2.552 116.600 119.070 0.136 0.000 3.016 247 H HA 0.425 4.973 4.556 -0.014 0.000 0.362 247 H C -0.344 175.078 175.328 0.156 0.000 1.233 247 H CA -1.005 55.134 56.048 0.151 0.000 1.124 247 H CB 0.348 30.209 29.762 0.165 0.000 1.850 247 H HN 0.205 nan 8.280 nan 0.000 0.549 248 C N 0.433 119.853 119.300 0.201 0.000 2.548 248 C HA 0.983 5.435 4.460 -0.014 0.000 0.412 248 C C 0.956 176.020 174.990 0.123 0.000 1.588 248 C CA -0.019 59.043 59.018 0.074 0.000 1.861 248 C CB 0.834 28.582 27.740 0.013 0.000 1.983 248 C HN 1.034 nan 8.230 nan 0.000 0.497 249 G N -1.921 106.941 108.800 0.103 0.000 2.509 249 G HA2 0.452 4.404 3.960 -0.014 0.000 0.328 249 G HA3 0.452 4.404 3.960 -0.014 0.000 0.328 249 G C -0.445 174.529 174.900 0.124 0.000 1.194 249 G CA -0.458 44.725 45.100 0.138 0.000 0.967 249 G HN 0.903 nan 8.290 nan 0.000 0.488 250 Y N -0.655 119.652 120.300 0.012 0.000 2.483 250 Y HA -0.041 4.500 4.550 -0.014 0.000 0.291 250 Y C 2.024 178.004 175.900 0.133 0.000 1.143 250 Y CA 1.595 59.706 58.100 0.019 0.000 1.289 250 Y CB 0.403 38.856 38.460 -0.012 0.000 0.983 250 Y HN 0.559 nan 8.280 nan 0.000 0.556 251 E N -0.649 119.685 120.200 0.223 0.000 2.585 251 E HA 0.044 4.386 4.350 -0.014 0.000 0.206 251 E C -0.930 175.815 176.600 0.242 0.000 1.007 251 E CA -0.449 56.060 56.400 0.182 0.000 1.028 251 E CB -0.064 29.740 29.700 0.173 0.000 1.087 251 E HN 0.121 nan 8.360 nan 0.000 0.455 252 F N 1.380 121.397 119.950 0.113 0.000 2.413 252 F HA 0.317 4.836 4.527 -0.013 0.000 0.359 252 F C 1.317 177.174 175.800 0.095 0.000 1.122 252 F CA -0.877 57.213 58.000 0.149 0.000 1.160 252 F CB 0.290 39.441 39.000 0.252 0.000 1.146 252 F HN 0.069 nan 8.300 nan 0.000 0.514 253 A N 7.505 130.187 122.820 -0.231 0.000 1.916 253 A HA -0.269 4.043 4.320 -0.014 0.000 0.224 253 A C -0.540 176.715 177.584 -0.549 0.000 1.366 253 A CA 2.513 54.331 52.037 -0.366 0.000 0.692 253 A CB -2.236 16.529 19.000 -0.392 0.000 0.841 253 A HN 0.679 nan 8.150 nan 0.000 0.480 254 P HA -0.147 nan 4.420 nan 0.000 0.216 254 P C 1.386 178.591 177.300 -0.158 0.000 1.150 254 P CA 1.298 63.779 63.100 -1.031 0.000 0.843 254 P CB -0.126 30.805 31.700 -1.283 0.000 0.787 255 F N 0.238 120.195 119.950 0.011 0.000 2.187 255 F HA -0.098 4.421 4.527 -0.013 0.000 0.295 255 F C 2.184 177.881 175.800 -0.172 0.000 1.091 255 F CA 1.343 59.297 58.000 -0.077 0.000 1.308 255 F CB -0.666 38.181 39.000 -0.255 0.000 1.030 255 F HN -0.206 nan 8.300 nan 0.000 0.487 256 Q N 0.239 119.928 119.800 -0.186 0.000 2.181 256 Q HA -0.246 4.086 4.340 -0.014 0.000 0.205 256 Q C 1.796 177.709 176.000 -0.145 0.000 0.980 256 Q CA 1.972 57.648 55.803 -0.211 0.000 0.862 256 Q CB -0.702 27.966 28.738 -0.117 0.000 0.905 256 Q HN 0.546 nan 8.270 nan 0.000 0.429 257 D N -0.611 119.691 120.400 -0.163 0.000 2.097 257 D HA -0.118 4.514 4.640 -0.014 0.000 0.197 257 D C 1.894 178.149 176.300 -0.074 0.000 0.984 257 D CA 1.066 55.006 54.000 -0.099 0.000 0.826 257 D CB 0.233 40.986 40.800 -0.078 0.000 0.973 257 D HN 0.003 nan 8.370 nan 0.000 0.460 258 V N 0.523 120.390 119.914 -0.079 0.000 2.343 258 V HA -0.200 3.912 4.120 -0.014 0.000 0.247 258 V C 2.086 178.104 176.094 -0.127 0.000 1.051 258 V CA 1.589 63.858 62.300 -0.052 0.000 1.036 258 V CB -0.785 31.061 31.823 0.038 0.000 0.654 258 V HN 0.499 nan 8.190 nan 0.000 0.451 259 W N 1.036 122.025 121.300 -0.517 0.000 2.338 259 W HA -0.191 4.461 4.660 -0.014 0.000 0.304 259 W C 2.243 178.625 176.519 -0.228 0.000 1.212 259 W CA 1.710 58.770 57.345 -0.474 0.000 1.264 259 W CB 0.045 29.111 29.460 -0.656 0.000 1.142 259 W HN 0.211 nan 8.180 nan 0.000 0.512 260 K N -0.336 119.993 120.400 -0.119 0.000 2.168 260 K HA -0.007 4.305 4.320 -0.014 0.000 0.201 260 K C 1.218 177.730 176.600 -0.145 0.000 1.049 260 K CA 0.807 57.009 56.287 -0.143 0.000 0.974 260 K CB -0.846 31.625 32.500 -0.047 0.000 0.792 260 K HN 0.158 nan 8.250 nan 0.000 0.463 261 N N 0.720 119.346 118.700 -0.123 0.000 2.280 261 N HA 0.038 4.770 4.740 -0.014 0.000 0.192 261 N C 1.021 176.421 175.510 -0.183 0.000 1.109 261 N CA 0.751 53.723 53.050 -0.130 0.000 0.855 261 N CB 0.783 39.208 38.487 -0.102 0.000 0.974 261 N HN 0.260 nan 8.380 nan 0.000 0.482 262 G N 2.122 110.805 108.800 -0.195 0.000 2.582 262 G HA2 -0.392 3.560 3.960 -0.014 0.000 0.288 262 G HA3 -0.392 3.560 3.960 -0.014 0.000 0.288 262 G C 0.642 175.108 174.900 -0.723 0.000 1.247 262 G CA 0.513 45.434 45.100 -0.299 0.000 0.972 262 G HN 0.340 nan 8.290 nan 0.000 0.557 263 E N 0.531 120.068 120.200 -1.105 0.000 2.338 263 E HA -0.016 4.326 4.350 -0.014 0.000 0.197 263 E C 2.603 178.887 176.600 -0.527 0.000 1.007 263 E CA 1.393 57.046 56.400 -1.245 0.000 0.849 263 E CB -0.196 28.986 29.700 -0.864 0.000 0.774 263 E HN 0.597 nan 8.360 nan 0.000 0.506 264 S N -0.537 114.950 115.700 -0.356 0.000 2.558 264 S HA 0.032 4.494 4.470 -0.014 0.000 0.217 264 S C 0.934 175.423 174.600 -0.186 0.000 0.975 264 S CA -0.191 57.880 58.200 -0.216 0.000 0.912 264 S CB 0.353 63.456 63.200 -0.161 0.000 0.776 264 S HN 0.060 nan 8.310 nan 0.000 0.526 265 S N 1.605 117.181 115.700 -0.205 0.000 2.558 265 S HA 0.132 4.594 4.470 -0.014 0.000 0.288 265 S C 0.961 175.467 174.600 -0.157 0.000 1.318 265 S CA -0.402 57.721 58.200 -0.128 0.000 1.056 265 S CB 0.793 63.957 63.200 -0.060 0.000 0.853 265 S HN 0.567 nan 8.310 nan 0.000 0.505 266 K N 3.045 123.301 120.400 -0.241 0.000 2.439 266 K HA -0.011 4.301 4.320 -0.014 0.000 0.197 266 K C -0.012 176.139 176.600 -0.747 0.000 1.041 266 K CA 1.131 57.123 56.287 -0.492 0.000 0.970 266 K CB -0.033 32.071 32.500 -0.660 0.000 0.773 266 K HN 0.838 nan 8.250 nan 0.000 0.479 267 Y N -0.114 120.045 120.300 -0.234 0.000 2.612 267 Y HA 0.118 4.660 4.550 -0.014 0.000 0.250 267 Y C 1.157 177.079 175.900 0.037 0.000 1.175 267 Y CA -0.501 57.377 58.100 -0.372 0.000 1.205 267 Y CB 0.546 38.602 38.460 -0.675 0.000 1.201 267 Y HN 0.018 nan 8.280 nan 0.000 0.532 268 K N -0.112 120.399 120.400 0.185 0.000 2.286 268 K HA -0.211 4.100 4.320 -0.014 0.000 0.203 268 K C 0.756 177.598 176.600 0.403 0.000 1.045 268 K CA 2.246 58.734 56.287 0.336 0.000 0.935 268 K CB -0.198 32.402 32.500 0.166 0.000 0.737 268 K HN 0.114 nan 8.250 nan 0.000 0.460 269 D N -1.211 119.373 120.400 0.307 0.000 2.358 269 D HA 0.065 4.696 4.640 -0.014 0.000 0.224 269 D C -0.131 176.295 176.300 0.209 0.000 1.123 269 D CA -0.138 54.004 54.000 0.237 0.000 0.833 269 D CB 0.007 40.902 40.800 0.158 0.000 0.946 269 D HN 0.297 nan 8.370 nan 0.000 0.505 270 W N -0.219 121.000 121.300 -0.135 0.000 3.290 270 W HA 0.286 4.938 4.660 -0.013 0.000 0.287 270 W C -0.271 175.747 176.519 -0.834 0.000 1.288 270 W CA -0.181 56.871 57.345 -0.489 0.000 1.725 270 W CB -0.086 29.008 29.460 -0.609 0.000 1.103 270 W HN -0.127 nan 8.180 nan 0.000 0.670 271 F N -2.086 117.985 119.950 0.200 0.000 2.790 271 F HA 0.339 4.857 4.527 -0.014 0.000 0.337 271 F C 0.520 176.247 175.800 -0.123 0.000 1.163 271 F CA -1.397 56.657 58.000 0.089 0.000 0.997 271 F CB 0.532 39.687 39.000 0.259 0.000 1.437 271 F HN -0.343 nan 8.300 nan 0.000 0.512 272 H N 1.942 121.198 119.070 0.309 0.000 2.508 272 H HA 0.410 4.958 4.556 -0.014 0.000 0.224 272 H C -0.609 174.661 175.328 -0.097 0.000 1.723 272 H CA -0.008 56.086 56.048 0.078 0.000 1.251 272 H CB -0.143 29.651 29.762 0.055 0.000 1.627 272 H HN 0.214 nan 8.280 nan 0.000 0.543 273 I N 2.031 122.605 120.570 0.006 0.000 2.371 273 I HA -0.015 4.147 4.170 -0.014 0.000 0.290 273 I C 1.361 177.307 176.117 -0.285 0.000 1.028 273 I CA -0.314 60.899 61.300 -0.145 0.000 1.345 273 I CB 1.037 38.901 38.000 -0.227 0.000 1.407 273 I HN 0.450 nan 8.210 nan 0.000 0.501 274 H N 5.157 124.228 119.070 0.002 0.000 2.525 274 H HA 0.134 4.682 4.556 -0.014 0.000 0.275 274 H C -0.065 175.213 175.328 -0.085 0.000 0.984 274 H CA 0.487 56.531 56.048 -0.007 0.000 1.264 274 H CB 0.331 30.114 29.762 0.035 0.000 1.432 274 H HN 0.690 nan 8.280 nan 0.000 0.549 275 E N -0.823 119.287 120.200 -0.150 0.000 2.405 275 E HA 0.191 4.533 4.350 -0.014 0.000 0.283 275 E C -1.773 174.610 176.600 -0.361 0.000 1.140 275 E CA -0.612 55.666 56.400 -0.204 0.000 0.904 275 E CB 0.455 30.160 29.700 0.007 0.000 1.209 275 E HN -0.152 nan 8.360 nan 0.000 0.428 276 F N 1.090 121.086 119.950 0.077 0.000 2.483 276 F HA 0.582 5.101 4.527 -0.014 0.000 0.329 276 F C -1.565 174.242 175.800 0.013 0.000 1.064 276 F CA -1.588 56.433 58.000 0.036 0.000 0.986 276 F CB 0.569 39.576 39.000 0.011 0.000 1.218 276 F HN 0.348 nan 8.300 nan 0.000 0.484 277 P HA 0.297 nan 4.420 nan 0.000 0.278 277 P C -0.913 176.435 177.300 0.080 0.000 1.258 277 P CA -0.512 62.686 63.100 0.163 0.000 0.811 277 P CB 0.917 32.609 31.700 -0.014 0.000 1.063 278 L N 0.792 122.049 121.223 0.057 0.000 2.529 278 L HA 0.095 4.427 4.340 -0.014 0.000 0.287 278 L C 0.905 177.828 176.870 0.088 0.000 1.241 278 L CA 1.294 56.204 54.840 0.117 0.000 0.857 278 L CB -0.640 41.525 42.059 0.176 0.000 1.113 278 L HN 0.510 nan 8.230 nan 0.000 0.504 279 Q N 0.261 120.282 119.800 0.368 0.000 2.377 279 Q HA 0.383 4.715 4.340 -0.014 0.000 0.279 279 Q C -0.449 175.844 176.000 0.489 0.000 1.049 279 Q CA -0.416 55.591 55.803 0.339 0.000 0.825 279 Q CB 1.978 30.824 28.738 0.179 0.000 1.401 279 Q HN 0.698 nan 8.270 nan 0.000 0.404 280 T N 0.603 115.428 114.554 0.452 0.000 2.990 280 T HA 0.192 4.534 4.350 -0.014 0.000 0.249 280 T C -0.591 174.218 174.700 0.182 0.000 1.039 280 T CA 0.227 62.537 62.100 0.350 0.000 1.036 280 T CB 0.351 69.447 68.868 0.381 0.000 0.994 280 T HN 0.368 nan 8.240 nan 0.000 0.489 281 E N 1.494 121.791 120.200 0.163 0.000 2.212 281 E HA 0.270 4.612 4.350 -0.014 0.000 0.268 281 E C -1.879 174.766 176.600 0.074 0.000 0.902 281 E CA -2.354 54.104 56.400 0.097 0.000 0.779 281 E CB 1.907 31.661 29.700 0.091 0.000 1.172 281 E HN -0.018 nan 8.360 nan 0.000 0.409 282 P HA -0.138 nan 4.420 nan 0.000 0.217 282 P C 0.133 177.444 177.300 0.019 0.000 1.150 282 P CA 1.314 64.428 63.100 0.024 0.000 0.832 282 P CB 0.677 32.380 31.700 0.005 0.000 0.787 283 R N -1.662 118.850 120.500 0.019 0.000 2.707 283 R HA 0.601 4.933 4.340 -0.014 0.000 0.272 283 R C -3.299 172.998 176.300 -0.004 0.000 1.011 283 R CA -2.438 53.664 56.100 0.004 0.000 0.893 283 R CB 0.199 30.486 30.300 -0.021 0.000 1.233 283 R HN -0.289 nan 8.270 nan 0.000 0.464 284 P HA -0.057 nan 4.420 nan 0.000 0.264 284 P C -0.478 176.721 177.300 -0.168 0.000 1.179 284 P CA 0.116 63.035 63.100 -0.302 0.000 0.763 284 P CB 0.405 31.634 31.700 -0.784 0.000 0.806 285 N N 1.472 120.167 118.700 -0.009 0.000 2.251 285 N HA 0.035 4.766 4.740 -0.014 0.000 0.217 285 N C -0.523 175.197 175.510 0.350 0.000 1.124 285 N CA -0.240 52.919 53.050 0.182 0.000 0.843 285 N CB -0.532 38.070 38.487 0.192 0.000 1.024 285 N HN 0.452 nan 8.380 nan 0.000 0.501 286 Y N -2.601 117.866 120.300 0.278 0.000 2.581 286 Y HA 0.603 5.145 4.550 -0.014 0.000 0.345 286 Y C -0.685 175.341 175.900 0.209 0.000 1.036 286 Y CA -1.619 56.578 58.100 0.163 0.000 1.042 286 Y CB 0.732 39.293 38.460 0.169 0.000 1.289 286 Y HN -0.278 nan 8.280 nan 0.000 0.471 287 D N 1.565 122.150 120.400 0.310 0.000 2.372 287 D HA 0.362 4.994 4.640 -0.014 0.000 0.243 287 D C 0.010 176.449 176.300 0.231 0.000 1.121 287 D CA 0.603 54.731 54.000 0.213 0.000 0.898 287 D CB 1.737 42.616 40.800 0.132 0.000 1.202 287 D HN 0.825 nan 8.370 nan 0.000 0.428 288 T N -1.939 112.648 114.554 0.055 0.000 2.812 288 T HA 0.410 4.751 4.350 -0.014 0.000 0.294 288 T C -0.524 174.124 174.700 -0.086 0.000 1.159 288 T CA -0.984 61.150 62.100 0.056 0.000 1.008 288 T CB 0.855 69.738 68.868 0.026 0.000 1.289 288 T HN 0.153 nan 8.240 nan 0.000 0.514 289 F N 2.717 122.530 119.950 -0.227 0.000 2.506 289 F HA 0.516 5.035 4.527 -0.014 0.000 0.371 289 F C 1.056 176.649 175.800 -0.345 0.000 1.078 289 F CA 0.593 58.367 58.000 -0.377 0.000 1.195 289 F CB -0.704 37.865 39.000 -0.718 0.000 1.099 289 F HN 1.333 nan 8.300 nan 0.000 0.548 290 A N 4.972 127.054 122.820 -1.231 0.000 5.391 290 A HA -0.336 3.976 4.320 -0.014 0.000 0.315 290 A C 0.264 177.193 177.584 -1.091 0.000 1.874 290 A CA 1.681 52.992 52.037 -1.210 0.000 0.714 290 A CB -1.742 16.575 19.000 -1.139 0.000 1.335 290 A HN 0.952 nan 8.150 nan 0.000 0.382 291 F N -0.498 119.292 119.950 -0.267 0.000 2.879 291 F HA 0.471 4.990 4.527 -0.014 0.000 0.354 291 F C 0.034 175.782 175.800 -0.086 0.000 1.291 291 F CA -0.175 57.734 58.000 -0.152 0.000 1.238 291 F CB 1.224 40.144 39.000 -0.134 0.000 1.005 291 F HN 0.309 nan 8.300 nan 0.000 0.508 292 V N 2.136 122.063 119.914 0.022 0.000 2.348 292 V HA 0.175 4.287 4.120 -0.014 0.000 0.270 292 V C -1.657 174.502 176.094 0.109 0.000 1.037 292 V CA -1.404 60.949 62.300 0.088 0.000 0.872 292 V CB 1.443 33.351 31.823 0.141 0.000 1.002 292 V HN 0.073 nan 8.190 nan 0.000 0.464 293 P HA -0.087 nan 4.420 nan 0.000 0.222 293 P C 1.127 178.594 177.300 0.278 0.000 1.147 293 P CA 0.751 63.969 63.100 0.197 0.000 0.790 293 P CB 0.259 32.050 31.700 0.151 0.000 0.780 294 Q N -1.479 118.425 119.800 0.173 0.000 2.472 294 Q HA 0.125 4.457 4.340 -0.014 0.000 0.208 294 Q C 0.685 176.793 176.000 0.179 0.000 0.958 294 Q CA 0.801 56.716 55.803 0.186 0.000 0.932 294 Q CB -0.371 28.435 28.738 0.113 0.000 1.007 294 Q HN 0.320 nan 8.270 nan 0.000 0.508 295 M N 1.987 121.685 119.600 0.163 0.000 2.386 295 M HA 0.319 4.791 4.480 -0.014 0.000 0.245 295 M C -2.493 173.893 176.300 0.144 0.000 0.982 295 M CA -1.782 53.617 55.300 0.164 0.000 0.860 295 M CB 1.250 33.933 32.600 0.138 0.000 1.371 295 M HN -0.233 nan 8.290 nan 0.000 0.425 296 P HA 0.042 nan 4.420 nan 0.000 0.271 296 P C -0.711 176.745 177.300 0.259 0.000 1.220 296 P CA 0.046 63.143 63.100 -0.004 0.000 0.768 296 P CB 0.725 31.867 31.700 -0.930 0.000 0.848 297 K N 4.398 125.016 120.400 0.364 0.000 2.412 297 K HA 0.147 4.459 4.320 -0.014 0.000 0.281 297 K C -0.135 176.761 176.600 0.493 0.000 1.027 297 K CA -0.344 56.189 56.287 0.410 0.000 0.989 297 K CB 0.052 32.753 32.500 0.334 0.000 0.935 297 K HN 0.461 nan 8.250 nan 0.000 0.475 298 L N 3.478 124.883 121.223 0.302 0.000 2.395 298 L HA 0.092 4.423 4.340 -0.014 0.000 0.269 298 L C 0.451 177.306 176.870 -0.025 0.000 1.133 298 L CA -0.504 54.375 54.840 0.065 0.000 0.812 298 L CB 0.683 42.679 42.059 -0.105 0.000 1.125 298 L HN 0.695 nan 8.230 nan 0.000 0.452 299 N N 0.223 118.768 118.700 -0.259 0.000 2.918 299 N HA 0.034 4.766 4.740 -0.014 0.000 0.247 299 N C 0.892 176.225 175.510 -0.296 0.000 1.117 299 N CA -0.337 52.523 53.050 -0.317 0.000 1.005 299 N CB 0.544 38.753 38.487 -0.463 0.000 1.297 299 N HN 0.596 nan 8.380 nan 0.000 0.513 300 T N -0.979 113.413 114.554 -0.269 0.000 3.139 300 T HA -0.073 4.268 4.350 -0.014 0.000 0.267 300 T C 1.414 176.013 174.700 -0.167 0.000 1.164 300 T CA 0.807 62.697 62.100 -0.351 0.000 1.075 300 T CB -0.110 68.391 68.868 -0.610 0.000 0.904 300 T HN 0.388 nan 8.240 nan 0.000 0.540 301 A N 1.495 124.241 122.820 -0.122 0.000 2.095 301 A HA 0.181 4.493 4.320 -0.014 0.000 0.212 301 A C 1.286 178.818 177.584 -0.087 0.000 1.162 301 A CA -0.244 51.758 52.037 -0.058 0.000 0.753 301 A CB -0.244 18.746 19.000 -0.017 0.000 0.840 301 A HN 0.511 nan 8.150 nan 0.000 0.468 302 N N 1.275 119.878 118.700 -0.161 0.000 2.452 302 N HA 0.048 4.780 4.740 -0.014 0.000 0.266 302 N C -1.661 173.734 175.510 -0.192 0.000 1.175 302 N CA -1.308 51.634 53.050 -0.179 0.000 0.945 302 N CB 1.290 39.610 38.487 -0.278 0.000 1.063 302 N HN 0.065 nan 8.380 nan 0.000 0.472 303 P HA -0.161 nan 4.420 nan 0.000 0.217 303 P C 0.381 177.618 177.300 -0.106 0.000 1.148 303 P CA 1.507 64.559 63.100 -0.080 0.000 0.828 303 P CB 0.443 32.122 31.700 -0.036 0.000 0.783 304 E N -0.445 119.659 120.200 -0.160 0.000 2.122 304 E HA -0.037 4.305 4.350 -0.014 0.000 0.190 304 E C 2.171 178.486 176.600 -0.475 0.000 0.977 304 E CA 0.508 56.822 56.400 -0.142 0.000 0.820 304 E CB -0.360 29.408 29.700 0.113 0.000 0.770 304 E HN 0.060 nan 8.360 nan 0.000 0.462 305 V N 1.901 121.279 119.914 -0.893 0.000 2.427 305 V HA -0.255 3.857 4.120 -0.014 0.000 0.248 305 V C 2.366 178.204 176.094 -0.426 0.000 1.051 305 V CA 1.837 63.518 62.300 -1.031 0.000 1.048 305 V CB -0.349 30.890 31.823 -0.973 0.000 0.666 305 V HN 0.170 nan 8.190 nan 0.000 0.456 306 K N 0.496 120.753 120.400 -0.238 0.000 2.001 306 K HA -0.228 4.084 4.320 -0.014 0.000 0.208 306 K C 2.338 178.957 176.600 0.031 0.000 1.048 306 K CA 1.618 57.919 56.287 0.024 0.000 0.932 306 K CB -0.185 32.345 32.500 0.050 0.000 0.715 306 K HN 0.190 nan 8.250 nan 0.000 0.437 307 R N -0.258 120.234 120.500 -0.015 0.000 2.120 307 R HA -0.169 4.163 4.340 -0.014 0.000 0.234 307 R C 2.053 178.392 176.300 0.065 0.000 1.123 307 R CA 1.598 57.710 56.100 0.021 0.000 0.975 307 R CB -0.809 29.512 30.300 0.035 0.000 0.866 307 R HN 0.468 nan 8.270 nan 0.000 0.446 308 Y N 0.019 120.270 120.300 -0.083 0.000 2.153 308 Y HA -0.048 4.494 4.550 -0.014 0.000 0.289 308 Y C 1.636 177.480 175.900 -0.094 0.000 1.127 308 Y CA 1.775 59.871 58.100 -0.007 0.000 1.131 308 Y CB -0.189 38.251 38.460 -0.034 0.000 0.995 308 Y HN 0.022 nan 8.280 nan 0.000 0.505 309 L N -0.298 120.880 121.223 -0.075 0.000 2.141 309 L HA -0.216 4.116 4.340 -0.014 0.000 0.209 309 L C 2.413 179.088 176.870 -0.324 0.000 1.094 309 L CA 0.919 55.445 54.840 -0.523 0.000 0.763 309 L CB -0.584 40.953 42.059 -0.871 0.000 0.908 309 L HN 0.320 nan 8.230 nan 0.000 0.437 310 L N -0.385 120.801 121.223 -0.062 0.000 2.046 310 L HA -0.223 4.109 4.340 -0.014 0.000 0.208 310 L C 2.202 179.092 176.870 0.034 0.000 1.077 310 L CA 1.160 56.000 54.840 0.001 0.000 0.747 310 L CB -0.593 41.439 42.059 -0.045 0.000 0.896 310 L HN 0.280 nan 8.230 nan 0.000 0.432 311 D N -0.336 120.076 120.400 0.020 0.000 2.117 311 D HA -0.151 4.481 4.640 -0.014 0.000 0.197 311 D C 2.289 178.686 176.300 0.162 0.000 0.987 311 D CA 1.005 55.070 54.000 0.109 0.000 0.829 311 D CB -0.277 40.595 40.800 0.121 0.000 0.961 311 D HN 0.083 nan 8.370 nan 0.000 0.460 312 V N 1.131 120.993 119.914 -0.087 0.000 2.407 312 V HA -0.212 3.900 4.120 -0.014 0.000 0.248 312 V C 2.443 178.758 176.094 0.368 0.000 1.055 312 V CA 1.727 63.906 62.300 -0.201 0.000 1.049 312 V CB -0.786 30.748 31.823 -0.481 0.000 0.662 312 V HN 0.203 nan 8.190 nan 0.000 0.455 313 A N 0.781 123.802 122.820 0.335 0.000 1.930 313 A HA -0.176 4.136 4.320 -0.014 0.000 0.217 313 A C 2.445 180.422 177.584 0.656 0.000 1.175 313 A CA 2.240 54.562 52.037 0.475 0.000 0.627 313 A CB -0.759 18.465 19.000 0.373 0.000 0.815 313 A HN 0.626 nan 8.150 nan 0.000 0.443 314 T N -4.296 110.495 114.554 0.394 0.000 3.054 314 T HA -0.059 4.283 4.350 -0.014 0.000 0.259 314 T C 1.740 176.645 174.700 0.342 0.000 1.092 314 T CA 1.081 63.375 62.100 0.324 0.000 1.121 314 T CB -0.478 68.496 68.868 0.176 0.000 0.912 314 T HN 0.419 nan 8.240 nan 0.000 0.489 315 Y N 1.337 121.776 120.300 0.231 0.000 2.089 315 Y HA -0.108 4.434 4.550 -0.014 0.000 0.282 315 Y C 1.876 177.876 175.900 0.166 0.000 1.139 315 Y CA 1.236 59.393 58.100 0.096 0.000 1.123 315 Y CB -0.654 37.762 38.460 -0.074 0.000 0.980 315 Y HN 0.228 nan 8.280 nan 0.000 0.493 316 W N 0.361 121.980 121.300 0.532 0.000 2.421 316 W HA -0.132 4.520 4.660 -0.014 0.000 0.270 316 W C 2.183 178.881 176.519 0.299 0.000 1.233 316 W CA 1.018 58.608 57.345 0.407 0.000 1.226 316 W CB -0.357 29.371 29.460 0.448 0.000 1.121 316 W HN 0.107 nan 8.180 nan 0.000 0.579 317 I N 0.017 120.866 120.570 0.466 0.000 2.206 317 I HA -0.204 3.958 4.170 -0.014 0.000 0.239 317 I C 2.671 178.894 176.117 0.177 0.000 1.078 317 I CA 1.287 62.763 61.300 0.294 0.000 1.367 317 I CB -0.677 37.502 38.000 0.299 0.000 1.078 317 I HN -0.117 nan 8.210 nan 0.000 0.413 318 R N 1.146 121.717 120.500 0.118 0.000 2.091 318 R HA -0.183 4.149 4.340 -0.014 0.000 0.238 318 R C 1.940 178.190 176.300 -0.082 0.000 1.136 318 R CA 1.654 57.763 56.100 0.016 0.000 0.959 318 R CB 0.012 30.316 30.300 0.006 0.000 0.856 318 R HN 0.265 nan 8.270 nan 0.000 0.437 319 E N -0.979 119.109 120.200 -0.187 0.000 2.400 319 E HA -0.033 4.309 4.350 -0.014 0.000 0.195 319 E C 0.841 177.083 176.600 -0.597 0.000 1.012 319 E CA 0.679 56.821 56.400 -0.430 0.000 0.875 319 E CB 0.333 29.583 29.700 -0.749 0.000 0.859 319 E HN 0.427 nan 8.360 nan 0.000 0.498 320 F N -0.186 119.756 119.950 -0.014 0.000 2.817 320 F HA 0.164 4.683 4.527 -0.014 0.000 0.333 320 F C 0.176 176.048 175.800 0.119 0.000 1.085 320 F CA -0.426 57.633 58.000 0.099 0.000 1.170 320 F CB 0.801 39.941 39.000 0.233 0.000 1.066 320 F HN -0.217 nan 8.300 nan 0.000 0.564 321 D N 2.480 123.011 120.400 0.219 0.000 2.723 321 D HA -0.201 4.431 4.640 -0.014 0.000 0.236 321 D C 0.065 176.501 176.300 0.227 0.000 1.138 321 D CA 0.527 54.633 54.000 0.176 0.000 0.676 321 D CB -1.114 39.757 40.800 0.119 0.000 1.069 321 D HN 0.471 nan 8.370 nan 0.000 0.430 322 I N -3.168 117.517 120.570 0.191 0.000 2.836 322 I HA 0.214 4.376 4.170 -0.014 0.000 0.285 322 I C 1.041 177.219 176.117 0.103 0.000 1.174 322 I CA -0.192 61.166 61.300 0.097 0.000 1.405 322 I CB 0.585 38.541 38.000 -0.073 0.000 1.385 322 I HN -0.208 nan 8.210 nan 0.000 0.594 323 D N 2.408 122.889 120.400 0.134 0.000 2.354 323 D HA 0.321 4.953 4.640 -0.014 0.000 0.209 323 D C 0.591 177.140 176.300 0.414 0.000 1.015 323 D CA 0.399 54.541 54.000 0.237 0.000 0.867 323 D CB 0.648 41.523 40.800 0.126 0.000 0.933 323 D HN 0.865 nan 8.370 nan 0.000 0.520 324 G N -0.567 108.374 108.800 0.236 0.000 2.559 324 G HA2 0.448 4.400 3.960 -0.014 0.000 0.291 324 G HA3 0.448 4.400 3.960 -0.014 0.000 0.291 324 G C -2.100 172.779 174.900 -0.036 0.000 1.424 324 G CA -1.056 44.190 45.100 0.243 0.000 0.786 324 G HN 0.058 nan 8.290 nan 0.000 0.485 325 W N 0.411 121.784 121.300 0.122 0.000 2.781 325 W HA 0.623 5.274 4.660 -0.014 0.000 0.333 325 W C 0.088 176.477 176.519 -0.217 0.000 1.047 325 W CA -0.967 56.410 57.345 0.052 0.000 1.236 325 W CB 2.265 31.895 29.460 0.283 0.000 1.394 325 W HN 0.336 nan 8.180 nan 0.000 0.466 326 R N 4.971 125.492 120.500 0.036 0.000 2.247 326 R HA 0.353 4.685 4.340 -0.014 0.000 0.329 326 R C -1.097 175.056 176.300 -0.245 0.000 1.014 326 R CA -0.476 55.422 56.100 -0.336 0.000 0.907 326 R CB 0.208 30.215 30.300 -0.487 0.000 1.146 326 R HN 0.694 nan 8.270 nan 0.000 0.499 327 L N 4.137 125.116 121.223 -0.406 0.000 2.407 327 L HA 0.129 4.461 4.340 -0.014 0.000 0.282 327 L C 0.515 177.189 176.870 -0.326 0.000 1.110 327 L CA -0.365 54.228 54.840 -0.412 0.000 0.863 327 L CB 0.420 42.114 42.059 -0.608 0.000 1.207 327 L HN 0.449 nan 8.230 nan 0.000 0.454 328 D N 2.759 123.062 120.400 -0.161 0.000 2.390 328 D HA 0.169 4.801 4.640 -0.014 0.000 0.249 328 D C 0.733 177.022 176.300 -0.018 0.000 1.144 328 D CA -0.067 53.904 54.000 -0.048 0.000 0.880 328 D CB 0.955 41.807 40.800 0.087 0.000 1.182 328 D HN 0.313 nan 8.370 nan 0.000 0.451 329 V N 2.625 122.534 119.914 -0.007 0.000 4.766 329 V HA -0.328 3.783 4.120 -0.014 0.000 0.260 329 V C 1.727 177.868 176.094 0.078 0.000 0.542 329 V CA 0.971 63.313 62.300 0.070 0.000 0.766 329 V CB -2.714 29.230 31.823 0.201 0.000 0.697 329 V HN 0.730 nan 8.190 nan 0.000 1.171 330 A N 1.207 123.983 122.820 -0.074 0.000 1.986 330 A HA -0.252 4.060 4.320 -0.014 0.000 0.220 330 A C 1.891 179.589 177.584 0.190 0.000 1.171 330 A CA 2.204 54.240 52.037 -0.003 0.000 0.640 330 A CB -0.673 17.879 19.000 -0.746 0.000 0.811 330 A HN 1.127 nan 8.150 nan 0.000 0.451 331 N N -0.965 117.659 118.700 -0.126 0.000 2.550 331 N HA -0.096 4.636 4.740 -0.014 0.000 0.186 331 N C 1.068 176.761 175.510 0.304 0.000 1.110 331 N CA 0.912 53.906 53.050 -0.093 0.000 0.912 331 N CB -0.159 38.085 38.487 -0.406 0.000 0.968 331 N HN 0.623 nan 8.380 nan 0.000 0.448 332 E N 0.087 120.448 120.200 0.270 0.000 2.474 332 E HA 0.226 4.568 4.350 -0.014 0.000 0.195 332 E C -0.098 176.627 176.600 0.208 0.000 1.039 332 E CA -0.097 56.438 56.400 0.227 0.000 0.881 332 E CB 0.500 30.302 29.700 0.170 0.000 0.970 332 E HN 0.447 nan 8.360 nan 0.000 0.486 333 I N 2.477 123.229 120.570 0.304 0.000 2.460 333 I HA 0.061 4.222 4.170 -0.014 0.000 0.298 333 I C 0.297 176.459 176.117 0.075 0.000 0.989 333 I CA -1.085 60.254 61.300 0.064 0.000 1.173 333 I CB 1.191 39.059 38.000 -0.221 0.000 1.338 333 I HN -0.000 nan 8.210 nan 0.000 0.456 334 D N 4.694 125.056 120.400 -0.062 0.000 2.443 334 D HA -0.088 4.544 4.640 -0.014 0.000 0.239 334 D C 0.763 177.087 176.300 0.040 0.000 1.136 334 D CA -0.021 53.972 54.000 -0.011 0.000 0.879 334 D CB 0.862 41.673 40.800 0.017 0.000 1.195 334 D HN 0.522 nan 8.370 nan 0.000 0.443 335 H N 1.126 120.323 119.070 0.212 0.000 2.422 335 H HA -0.144 4.404 4.556 -0.013 0.000 0.298 335 H C 1.736 177.153 175.328 0.148 0.000 1.098 335 H CA 1.492 57.669 56.048 0.215 0.000 1.315 335 H CB 0.095 29.886 29.762 0.048 0.000 1.382 335 H HN 0.697 nan 8.280 nan 0.000 0.523 336 E N 0.014 120.332 120.200 0.196 0.000 2.051 336 E HA -0.169 4.173 4.350 -0.014 0.000 0.192 336 E C 2.023 178.675 176.600 0.087 0.000 0.991 336 E CA 0.691 57.162 56.400 0.119 0.000 0.799 336 E CB -0.166 29.583 29.700 0.083 0.000 0.748 336 E HN 0.300 nan 8.360 nan 0.000 0.449 337 F N -0.192 119.691 119.950 -0.111 0.000 2.126 337 F HA -0.193 4.326 4.527 -0.014 0.000 0.299 337 F C 1.622 177.376 175.800 -0.076 0.000 1.096 337 F CA 1.746 59.626 58.000 -0.199 0.000 1.255 337 F CB -0.444 38.286 39.000 -0.450 0.000 0.997 337 F HN 0.128 nan 8.300 nan 0.000 0.479 338 W N 0.610 122.064 121.300 0.257 0.000 2.374 338 W HA -0.138 4.514 4.660 -0.013 0.000 0.288 338 W C 2.534 179.059 176.519 0.010 0.000 1.218 338 W CA 0.729 58.138 57.345 0.107 0.000 1.245 338 W CB -0.322 29.143 29.460 0.009 0.000 1.126 338 W HN -0.136 nan 8.180 nan 0.000 0.545 339 R N 0.298 120.923 120.500 0.208 0.000 2.115 339 R HA -0.104 4.227 4.340 -0.014 0.000 0.230 339 R C 1.812 178.141 176.300 0.048 0.000 1.111 339 R CA 1.199 57.364 56.100 0.107 0.000 0.976 339 R CB -0.348 29.996 30.300 0.074 0.000 0.870 339 R HN 0.361 nan 8.270 nan 0.000 0.445 340 E N 0.010 120.192 120.200 -0.029 0.000 2.076 340 E HA -0.147 4.195 4.350 -0.014 0.000 0.190 340 E C 1.666 178.209 176.600 -0.095 0.000 0.979 340 E CA 0.692 57.031 56.400 -0.103 0.000 0.807 340 E CB -0.116 29.460 29.700 -0.206 0.000 0.761 340 E HN 0.174 nan 8.360 nan 0.000 0.454 341 F N 2.227 122.001 119.950 -0.292 0.000 2.120 341 F HA -0.256 4.263 4.527 -0.014 0.000 0.300 341 F C 2.450 178.278 175.800 0.047 0.000 1.095 341 F CA 1.745 59.664 58.000 -0.134 0.000 1.249 341 F CB 0.008 39.059 39.000 0.085 0.000 0.995 341 F HN -0.182 nan 8.300 nan 0.000 0.480 342 R N 0.044 120.667 120.500 0.204 0.000 2.075 342 R HA -0.168 4.163 4.340 -0.014 0.000 0.232 342 R C 2.271 178.564 176.300 -0.013 0.000 1.126 342 R CA 1.864 58.022 56.100 0.097 0.000 0.963 342 R CB -0.300 30.073 30.300 0.121 0.000 0.858 342 R HN 0.446 nan 8.270 nan 0.000 0.435 343 Q N 0.017 119.808 119.800 -0.014 0.000 2.020 343 Q HA -0.183 4.149 4.340 -0.014 0.000 0.202 343 Q C 2.047 178.018 176.000 -0.049 0.000 0.982 343 Q CA 1.621 57.409 55.803 -0.025 0.000 0.838 343 Q CB -0.092 28.633 28.738 -0.022 0.000 0.899 343 Q HN 0.399 nan 8.270 nan 0.000 0.423 344 E N 0.374 120.523 120.200 -0.085 0.000 2.023 344 E HA -0.183 4.158 4.350 -0.014 0.000 0.196 344 E C 2.282 178.832 176.600 -0.084 0.000 1.003 344 E CA 1.409 57.757 56.400 -0.085 0.000 0.809 344 E CB -0.364 29.267 29.700 -0.115 0.000 0.755 344 E HN 0.169 nan 8.360 nan 0.000 0.449 345 V N 2.235 122.042 119.914 -0.178 0.000 2.233 345 V HA -0.246 3.866 4.120 -0.014 0.000 0.247 345 V C 2.320 178.410 176.094 -0.007 0.000 1.050 345 V CA 1.801 64.028 62.300 -0.121 0.000 1.010 345 V CB -0.441 31.199 31.823 -0.305 0.000 0.637 345 V HN 0.165 nan 8.190 nan 0.000 0.444 346 K N 0.269 120.665 120.400 -0.007 0.000 2.209 346 K HA -0.070 4.242 4.320 -0.014 0.000 0.204 346 K C 2.201 178.818 176.600 0.028 0.000 1.048 346 K CA 1.486 57.791 56.287 0.031 0.000 0.940 346 K CB -0.787 31.728 32.500 0.025 0.000 0.729 346 K HN 0.508 nan 8.250 nan 0.000 0.451 347 A N 1.277 124.105 122.820 0.012 0.000 1.898 347 A HA -0.125 4.187 4.320 -0.014 0.000 0.216 347 A C 2.226 179.824 177.584 0.025 0.000 1.181 347 A CA 1.077 53.123 52.037 0.015 0.000 0.620 347 A CB -0.488 18.515 19.000 0.005 0.000 0.819 347 A HN 0.211 nan 8.150 nan 0.000 0.442 348 L N -1.036 120.205 121.223 0.030 0.000 2.005 348 L HA 0.079 4.411 4.340 -0.014 0.000 0.207 348 L C 1.079 177.981 176.870 0.054 0.000 1.072 348 L CA 2.181 57.047 54.840 0.044 0.000 0.744 348 L CB -0.055 42.040 42.059 0.061 0.000 0.895 348 L HN 0.359 nan 8.230 nan 0.000 0.433 349 K N -1.545 118.899 120.400 0.072 0.000 2.803 349 K HA 0.231 4.543 4.320 -0.014 0.000 0.229 349 K C -2.174 174.491 176.600 0.109 0.000 1.084 349 K CA -1.362 54.977 56.287 0.086 0.000 1.063 349 K CB 1.310 33.872 32.500 0.103 0.000 1.254 349 K HN -0.144 nan 8.250 nan 0.000 0.551 350 P HA -0.261 nan 4.420 nan 0.000 0.222 350 P C 0.384 177.771 177.300 0.145 0.000 1.157 350 P CA 1.723 64.879 63.100 0.094 0.000 0.905 350 P CB 0.107 31.850 31.700 0.071 0.000 0.792 351 D N -1.303 119.216 120.400 0.199 0.000 2.323 351 D HA -0.010 4.622 4.640 -0.014 0.000 0.239 351 D C -0.096 176.503 176.300 0.498 0.000 1.129 351 D CA -0.020 54.188 54.000 0.347 0.000 0.865 351 D CB -0.920 40.138 40.800 0.430 0.000 0.913 351 D HN -0.024 nan 8.370 nan 0.000 0.517 352 V N 1.610 121.737 119.914 0.356 0.000 2.508 352 V HA -0.001 4.111 4.120 -0.014 0.000 0.281 352 V C -0.160 176.197 176.094 0.437 0.000 1.041 352 V CA -0.748 61.798 62.300 0.410 0.000 1.016 352 V CB 0.089 32.095 31.823 0.305 0.000 0.984 352 V HN 0.137 nan 8.190 nan 0.000 0.478 353 Y N 6.133 126.638 120.300 0.341 0.000 2.531 353 Y HA 0.383 4.925 4.550 -0.014 0.000 0.347 353 Y C 0.210 176.215 175.900 0.174 0.000 1.024 353 Y CA -1.147 57.054 58.100 0.170 0.000 1.306 353 Y CB 0.380 38.936 38.460 0.160 0.000 1.149 353 Y HN 0.504 nan 8.280 nan 0.000 0.527 354 I N 8.620 129.259 120.570 0.114 0.000 2.307 354 I HA 0.137 4.298 4.170 -0.014 0.000 0.287 354 I C -1.001 174.947 176.117 -0.281 0.000 1.054 354 I CA -0.703 60.671 61.300 0.123 0.000 1.218 354 I CB 0.716 38.960 38.000 0.407 0.000 1.398 354 I HN 0.426 nan 8.210 nan 0.000 0.475 355 L N 7.186 128.043 121.223 -0.609 0.000 2.298 355 L HA 0.703 5.034 4.340 -0.014 0.000 0.284 355 L C 0.201 176.489 176.870 -0.969 0.000 1.013 355 L CA 0.017 54.291 54.840 -0.943 0.000 0.824 355 L CB 1.361 42.614 42.059 -1.343 0.000 1.221 355 L HN 0.473 nan 8.230 nan 0.000 0.418 356 G N 3.439 111.511 108.800 -1.214 0.000 2.377 356 G HA2 0.270 4.222 3.960 -0.014 0.000 0.299 356 G HA3 0.270 4.222 3.960 -0.014 0.000 0.299 356 G C -0.943 173.385 174.900 -0.954 0.000 1.150 356 G CA -0.445 43.750 45.100 -1.507 0.000 0.847 356 G HN 0.645 nan 8.290 nan 0.000 0.501 357 Q N 2.100 121.461 119.800 -0.732 0.000 2.490 357 Q HA 0.301 4.633 4.340 -0.014 0.000 0.226 357 Q C -0.730 175.053 176.000 -0.362 0.000 1.132 357 Q CA -0.068 55.465 55.803 -0.449 0.000 0.928 357 Q CB 0.193 28.780 28.738 -0.252 0.000 1.299 357 Q HN 0.452 nan 8.270 nan 0.000 0.528 358 I N 2.930 123.262 120.570 -0.396 0.000 2.411 358 I HA 0.125 4.286 4.170 -0.014 0.000 0.284 358 I C 0.082 176.087 176.117 -0.187 0.000 1.012 358 I CA -0.678 60.355 61.300 -0.445 0.000 1.119 358 I CB 1.167 38.721 38.000 -0.742 0.000 1.261 358 I HN 0.618 nan 8.210 nan 0.000 0.448 359 W N 7.586 128.756 121.300 -0.217 0.000 3.310 359 W HA 0.066 4.718 4.660 -0.014 0.000 0.395 359 W C 0.029 176.564 176.519 0.028 0.000 1.059 359 W CA 0.422 57.749 57.345 -0.028 0.000 1.845 359 W CB -0.589 28.730 29.460 -0.235 0.000 0.908 359 W HN 0.741 nan 8.180 nan 0.000 0.798 360 H N -3.277 115.952 119.070 0.266 0.000 2.849 360 H HA 0.096 4.644 4.556 -0.014 0.000 0.271 360 H C -1.075 174.383 175.328 0.217 0.000 1.461 360 H CA -1.111 55.073 56.048 0.227 0.000 1.146 360 H CB -0.152 29.723 29.762 0.189 0.000 1.834 360 H HN -0.228 nan 8.280 nan 0.000 0.555 361 D N -0.231 120.488 120.400 0.532 0.000 2.581 361 D HA 0.210 4.841 4.640 -0.014 0.000 0.238 361 D C 0.575 177.247 176.300 0.620 0.000 1.145 361 D CA 1.069 55.334 54.000 0.442 0.000 0.866 361 D CB 0.475 41.448 40.800 0.289 0.000 1.151 361 D HN 0.824 nan 8.370 nan 0.000 0.500 362 A N 4.395 127.577 122.820 0.603 0.000 2.470 362 A HA 0.075 4.387 4.320 -0.014 0.000 0.251 362 A C 1.736 179.788 177.584 0.781 0.000 1.245 362 A CA -0.004 52.421 52.037 0.647 0.000 0.932 362 A CB -0.213 18.937 19.000 0.250 0.000 1.037 362 A HN 0.612 nan 8.150 nan 0.000 0.522 363 M N 1.345 121.360 119.600 0.692 0.000 2.128 363 M HA -0.156 4.316 4.480 -0.014 0.000 0.253 363 M C -1.199 175.308 176.300 0.344 0.000 1.079 363 M CA 2.282 57.876 55.300 0.490 0.000 1.082 363 M CB -1.215 31.575 32.600 0.316 0.000 1.335 363 M HN 0.175 nan 8.290 nan 0.000 0.401 364 P HA -0.150 nan 4.420 nan 0.000 0.220 364 P C 0.847 178.056 177.300 -0.152 0.000 1.148 364 P CA 1.391 64.433 63.100 -0.097 0.000 0.803 364 P CB -0.334 31.097 31.700 -0.450 0.000 0.782 365 W N -1.723 119.729 121.300 0.253 0.000 3.278 365 W HA 0.294 4.946 4.660 -0.014 0.000 0.308 365 W C 0.414 177.045 176.519 0.188 0.000 1.253 365 W CA 0.078 57.569 57.345 0.243 0.000 1.759 365 W CB 0.137 29.867 29.460 0.450 0.000 1.093 365 W HN -0.077 nan 8.180 nan 0.000 0.648 366 L N 0.575 122.032 121.223 0.391 0.000 3.108 366 L HA 0.274 4.606 4.340 -0.014 0.000 0.251 366 L C 1.258 178.293 176.870 0.274 0.000 1.315 366 L CA 0.024 55.062 54.840 0.330 0.000 1.048 366 L CB -0.038 42.125 42.059 0.173 0.000 1.432 366 L HN -0.239 nan 8.230 nan 0.000 0.543 367 R N 0.005 120.653 120.500 0.246 0.000 2.426 367 R HA 0.250 4.581 4.340 -0.014 0.000 0.263 367 R C 1.409 177.906 176.300 0.330 0.000 0.961 367 R CA 0.517 56.753 56.100 0.227 0.000 1.086 367 R CB 0.499 30.871 30.300 0.119 0.000 1.186 367 R HN 0.476 nan 8.270 nan 0.000 0.537 368 G N 1.494 110.569 108.800 0.459 0.000 2.225 368 G HA2 -0.302 3.649 3.960 -0.014 0.000 0.254 368 G HA3 -0.302 3.649 3.960 -0.014 0.000 0.254 368 G C 0.538 175.472 174.900 0.056 0.000 0.988 368 G CA 0.503 45.728 45.100 0.209 0.000 0.625 368 G HN 0.560 nan 8.290 nan 0.000 0.527 369 D N -0.210 120.237 120.400 0.077 0.000 2.368 369 D HA 0.264 4.896 4.640 -0.014 0.000 0.218 369 D C 1.120 177.431 176.300 0.018 0.000 1.112 369 D CA 0.619 54.642 54.000 0.038 0.000 0.834 369 D CB 0.292 41.114 40.800 0.036 0.000 0.953 369 D HN 0.573 nan 8.370 nan 0.000 0.505 370 Q N -1.096 118.698 119.800 -0.009 0.000 1.776 370 Q HA 0.263 4.595 4.340 -0.014 0.000 0.165 370 Q C -0.736 175.152 176.000 -0.187 0.000 0.481 370 Q CA -0.570 55.142 55.803 -0.151 0.000 0.634 370 Q CB 0.770 29.343 28.738 -0.274 0.000 1.389 370 Q HN 0.006 nan 8.270 nan 0.000 0.203 371 F N 2.082 122.087 119.950 0.091 0.000 2.371 371 F HA 0.165 4.683 4.527 -0.014 0.000 0.329 371 F C 1.010 176.814 175.800 0.005 0.000 1.107 371 F CA -0.368 57.621 58.000 -0.018 0.000 1.137 371 F CB 0.442 39.356 39.000 -0.143 0.000 1.214 371 F HN 0.277 nan 8.300 nan 0.000 0.536 372 D N 0.758 121.244 120.400 0.144 0.000 2.249 372 D HA 0.238 4.870 4.640 -0.014 0.000 0.205 372 D C 0.549 176.984 176.300 0.226 0.000 0.962 372 D CA 0.943 54.981 54.000 0.063 0.000 0.860 372 D CB 0.358 41.223 40.800 0.108 0.000 0.955 372 D HN 0.476 nan 8.370 nan 0.000 0.505 373 A N -0.381 122.467 122.820 0.047 0.000 2.540 373 A HA 0.558 4.870 4.320 -0.014 0.000 0.291 373 A C -1.540 175.879 177.584 -0.276 0.000 1.083 373 A CA -0.528 51.483 52.037 -0.043 0.000 0.650 373 A CB 1.241 20.262 19.000 0.035 0.000 1.292 373 A HN 0.076 nan 8.150 nan 0.000 0.435 374 V N -2.234 117.495 119.914 -0.308 0.000 2.971 374 V HA 0.740 4.852 4.120 -0.014 0.000 0.309 374 V C -0.211 175.640 176.094 -0.405 0.000 1.130 374 V CA -0.907 61.124 62.300 -0.448 0.000 0.964 374 V CB 1.629 33.226 31.823 -0.377 0.000 1.029 374 V HN 0.978 nan 8.190 nan 0.000 0.427 375 M N 3.888 123.167 119.600 -0.534 0.000 2.327 375 M HA 0.144 4.616 4.480 -0.014 0.000 0.353 375 M C 0.528 176.487 176.300 -0.567 0.000 1.539 375 M CA 0.445 55.411 55.300 -0.557 0.000 1.039 375 M CB -0.207 31.877 32.600 -0.861 0.000 1.967 375 M HN 0.793 nan 8.290 nan 0.000 0.459 376 N N 3.257 121.724 118.700 -0.388 0.000 2.819 376 N HA 0.031 4.763 4.740 -0.014 0.000 0.284 376 N C 0.048 175.454 175.510 -0.173 0.000 1.196 376 N CA 0.332 53.258 53.050 -0.208 0.000 1.114 376 N CB -0.069 38.353 38.487 -0.108 0.000 1.437 376 N HN 0.520 nan 8.380 nan 0.000 0.518 377 Y N 1.310 121.514 120.300 -0.160 0.000 2.242 377 Y HA -0.008 4.534 4.550 -0.014 0.000 0.291 377 Y C -0.528 175.384 175.900 0.021 0.000 1.137 377 Y CA 0.575 58.551 58.100 -0.205 0.000 1.181 377 Y CB -0.698 37.397 38.460 -0.607 0.000 0.989 377 Y HN 0.421 nan 8.280 nan 0.000 0.527 378 P HA -0.244 nan 4.420 nan 0.000 0.216 378 P C 1.415 178.828 177.300 0.188 0.000 1.150 378 P CA 1.540 64.769 63.100 0.215 0.000 0.843 378 P CB -0.237 31.596 31.700 0.221 0.000 0.787 379 F N 0.542 120.517 119.950 0.041 0.000 2.069 379 F HA -0.229 4.290 4.527 -0.014 0.000 0.298 379 F C 1.942 177.751 175.800 0.014 0.000 1.113 379 F CA 2.083 60.079 58.000 -0.008 0.000 1.214 379 F CB -1.295 37.661 39.000 -0.074 0.000 0.978 379 F HN -0.132 nan 8.300 nan 0.000 0.474 380 T N -0.278 114.468 114.554 0.321 0.000 2.665 380 T HA -0.290 4.052 4.350 -0.014 0.000 0.268 380 T C 1.477 176.208 174.700 0.052 0.000 1.035 380 T CA 1.828 64.039 62.100 0.185 0.000 1.151 380 T CB -0.741 68.243 68.868 0.194 0.000 0.862 380 T HN 0.456 nan 8.240 nan 0.000 0.438 381 D N 0.836 121.290 120.400 0.089 0.000 2.103 381 D HA -0.088 4.544 4.640 -0.014 0.000 0.190 381 D C 2.402 178.709 176.300 0.012 0.000 0.997 381 D CA 1.617 55.656 54.000 0.066 0.000 0.833 381 D CB -0.717 40.144 40.800 0.102 0.000 0.961 381 D HN 0.359 nan 8.370 nan 0.000 0.447 382 G N -0.192 108.602 108.800 -0.011 0.000 2.446 382 G HA2 -0.237 3.715 3.960 -0.014 0.000 0.217 382 G HA3 -0.237 3.715 3.960 -0.014 0.000 0.217 382 G C 1.825 176.751 174.900 0.044 0.000 1.168 382 G CA 1.164 46.275 45.100 0.017 0.000 0.771 382 G HN 0.314 nan 8.290 nan 0.000 0.551 383 V N 1.093 120.938 119.914 -0.115 0.000 2.295 383 V HA -0.143 3.969 4.120 -0.014 0.000 0.246 383 V C 2.925 178.947 176.094 -0.119 0.000 1.049 383 V CA 1.617 63.794 62.300 -0.205 0.000 1.024 383 V CB -0.479 31.142 31.823 -0.336 0.000 0.648 383 V HN 0.351 nan 8.190 nan 0.000 0.447 384 L N -0.664 120.518 121.223 -0.067 0.000 2.093 384 L HA -0.124 4.208 4.340 -0.014 0.000 0.208 384 L C 2.695 179.528 176.870 -0.061 0.000 1.085 384 L CA 1.430 56.245 54.840 -0.042 0.000 0.755 384 L CB -0.627 41.419 42.059 -0.022 0.000 0.904 384 L HN 0.216 nan 8.230 nan 0.000 0.435 385 R N -0.980 119.488 120.500 -0.054 0.000 2.189 385 R HA -0.143 4.188 4.340 -0.014 0.000 0.223 385 R C 2.032 178.289 176.300 -0.071 0.000 1.092 385 R CA 1.322 57.395 56.100 -0.045 0.000 0.989 385 R CB -0.123 30.170 30.300 -0.011 0.000 0.876 385 R HN 0.260 nan 8.270 nan 0.000 0.457 386 F N -0.787 118.937 119.950 -0.376 0.000 2.343 386 F HA 0.128 4.647 4.527 -0.013 0.000 0.286 386 F C 1.346 176.827 175.800 -0.532 0.000 1.057 386 F CA 0.628 58.278 58.000 -0.583 0.000 1.365 386 F CB 0.019 38.331 39.000 -1.146 0.000 1.114 386 F HN -0.228 nan 8.300 nan 0.000 0.545 387 F N 0.326 120.009 119.950 -0.446 0.000 2.219 387 F HA 0.207 4.726 4.527 -0.014 0.000 0.294 387 F C 2.444 178.094 175.800 -0.252 0.000 1.086 387 F CA 1.175 58.936 58.000 -0.397 0.000 1.330 387 F CB -1.273 37.567 39.000 -0.267 0.000 1.047 387 F HN 0.053 nan 8.300 nan 0.000 0.495 388 A N -0.461 122.352 122.820 -0.011 0.000 1.871 388 A HA 0.014 4.326 4.320 -0.014 0.000 0.211 388 A C 2.058 179.602 177.584 -0.067 0.000 1.207 388 A CA 0.884 52.895 52.037 -0.044 0.000 0.620 388 A CB -0.220 18.755 19.000 -0.043 0.000 0.860 388 A HN 0.007 nan 8.150 nan 0.000 0.450 389 K N -0.103 120.251 120.400 -0.077 0.000 2.400 389 K HA 0.090 4.402 4.320 -0.014 0.000 0.194 389 K C -0.293 176.254 176.600 -0.089 0.000 1.033 389 K CA 0.378 56.623 56.287 -0.070 0.000 1.021 389 K CB -0.069 32.398 32.500 -0.054 0.000 0.808 389 K HN 0.632 nan 8.250 nan 0.000 0.505 390 E N 0.781 120.891 120.200 -0.150 0.000 2.269 390 E HA -0.247 4.095 4.350 -0.014 0.000 0.223 390 E C 0.084 176.619 176.600 -0.109 0.000 1.244 390 E CA 0.492 56.777 56.400 -0.191 0.000 0.713 390 E CB -0.886 28.727 29.700 -0.144 0.000 1.178 390 E HN 0.433 nan 8.360 nan 0.000 0.370 391 E N -0.426 119.729 120.200 -0.074 0.000 2.216 391 E HA 0.052 4.393 4.350 -0.014 0.000 0.192 391 E C 1.349 177.940 176.600 -0.015 0.000 0.973 391 E CA 0.779 57.155 56.400 -0.040 0.000 0.851 391 E CB 0.225 29.905 29.700 -0.033 0.000 0.804 391 E HN 0.500 nan 8.360 nan 0.000 0.477 392 I N -0.972 119.613 120.570 0.025 0.000 2.750 392 I HA 0.387 4.549 4.170 -0.014 0.000 0.308 392 I C 0.350 176.564 176.117 0.162 0.000 1.016 392 I CA -1.174 60.162 61.300 0.060 0.000 1.098 392 I CB 1.761 39.790 38.000 0.048 0.000 1.279 392 I HN -0.191 nan 8.210 nan 0.000 0.454 393 S N 3.441 119.196 115.700 0.092 0.000 2.624 393 S HA 0.490 4.952 4.470 -0.014 0.000 0.263 393 S C 1.226 175.886 174.600 0.099 0.000 1.287 393 S CA -0.088 58.188 58.200 0.126 0.000 0.990 393 S CB 1.436 64.649 63.200 0.021 0.000 0.950 393 S HN 0.988 nan 8.310 nan 0.000 0.561 394 A N 1.266 124.165 122.820 0.133 0.000 1.877 394 A HA -0.107 4.205 4.320 -0.014 0.000 0.216 394 A C 2.315 179.718 177.584 -0.302 0.000 1.186 394 A CA 1.703 53.602 52.037 -0.231 0.000 0.620 394 A CB -1.047 17.987 19.000 0.056 0.000 0.822 394 A HN 0.945 nan 8.150 nan 0.000 0.443 395 R N -0.352 120.054 120.500 -0.155 0.000 2.094 395 R HA -0.250 4.082 4.340 -0.014 0.000 0.239 395 R C 2.427 178.584 176.300 -0.238 0.000 1.137 395 R CA 2.226 58.224 56.100 -0.170 0.000 0.943 395 R CB -0.390 29.867 30.300 -0.073 0.000 0.850 395 R HN 0.743 nan 8.270 nan 0.000 0.433 396 Q N -0.638 119.051 119.800 -0.185 0.000 2.020 396 Q HA -0.212 4.120 4.340 -0.014 0.000 0.202 396 Q C 2.009 177.839 176.000 -0.282 0.000 0.982 396 Q CA 1.819 57.510 55.803 -0.186 0.000 0.838 396 Q CB -0.365 28.308 28.738 -0.109 0.000 0.899 396 Q HN 0.346 nan 8.270 nan 0.000 0.423 397 F N 1.369 121.007 119.950 -0.521 0.000 2.192 397 F HA -0.232 4.287 4.527 -0.013 0.000 0.301 397 F C 2.034 177.388 175.800 -0.744 0.000 1.079 397 F CA 1.327 58.906 58.000 -0.702 0.000 1.303 397 F CB -0.353 37.876 39.000 -1.286 0.000 1.024 397 F HN 0.012 nan 8.300 nan 0.000 0.494 398 A N 0.214 122.441 122.820 -0.989 0.000 1.929 398 A HA -0.140 4.172 4.320 -0.014 0.000 0.216 398 A C 2.066 179.160 177.584 -0.817 0.000 1.176 398 A CA 1.523 52.716 52.037 -1.406 0.000 0.628 398 A CB -0.720 17.563 19.000 -1.195 0.000 0.816 398 A HN 0.486 nan 8.150 nan 0.000 0.444 399 N N -0.476 117.932 118.700 -0.487 0.000 2.216 399 N HA -0.135 4.597 4.740 -0.014 0.000 0.183 399 N C 1.848 177.236 175.510 -0.203 0.000 1.017 399 N CA 1.481 54.376 53.050 -0.257 0.000 0.861 399 N CB -0.310 38.068 38.487 -0.182 0.000 0.986 399 N HN 0.523 nan 8.380 nan 0.000 0.428 400 Q N 0.450 120.072 119.800 -0.296 0.000 2.083 400 Q HA 0.105 4.436 4.340 -0.014 0.000 0.198 400 Q C 1.847 177.744 176.000 -0.171 0.000 0.969 400 Q CA 1.063 56.749 55.803 -0.195 0.000 0.838 400 Q CB -0.123 28.489 28.738 -0.210 0.000 0.900 400 Q HN 0.153 nan 8.270 nan 0.000 0.436 401 M N -0.783 118.577 119.600 -0.401 0.000 2.117 401 M HA -0.109 4.362 4.480 -0.014 0.000 0.262 401 M C 1.881 178.200 176.300 0.032 0.000 1.065 401 M CA 1.300 56.472 55.300 -0.213 0.000 1.114 401 M CB -0.804 31.593 32.600 -0.338 0.000 1.361 401 M HN 0.301 nan 8.290 nan 0.000 0.408 402 M N -1.373 118.219 119.600 -0.013 0.000 2.175 402 M HA -0.183 4.289 4.480 -0.014 0.000 0.264 402 M C 2.199 178.583 176.300 0.140 0.000 1.063 402 M CA 1.671 57.056 55.300 0.142 0.000 1.119 402 M CB -1.510 31.136 32.600 0.077 0.000 1.377 402 M HN 0.336 nan 8.290 nan 0.000 0.415 403 H N 0.798 119.859 119.070 -0.016 0.000 2.270 403 H HA -0.117 4.431 4.556 -0.014 0.000 0.299 403 H C 1.920 177.232 175.328 -0.028 0.000 1.077 403 H CA 2.835 58.875 56.048 -0.013 0.000 1.294 403 H CB -0.155 29.614 29.762 0.011 0.000 1.371 403 H HN 0.162 nan 8.280 nan 0.000 0.491 404 V N -0.967 118.979 119.914 0.053 0.000 2.343 404 V HA -0.175 3.937 4.120 -0.014 0.000 0.247 404 V C 2.542 178.628 176.094 -0.013 0.000 1.051 404 V CA 1.856 64.157 62.300 0.003 0.000 1.036 404 V CB -1.062 30.843 31.823 0.138 0.000 0.654 404 V HN 0.376 nan 8.190 nan 0.000 0.451 405 L N -0.113 121.141 121.223 0.052 0.000 2.017 405 L HA -0.140 4.192 4.340 -0.014 0.000 0.208 405 L C 2.653 179.413 176.870 -0.183 0.000 1.073 405 L CA 2.091 56.935 54.840 0.008 0.000 0.745 405 L CB -0.684 41.375 42.059 0.000 0.000 0.894 405 L HN 0.383 nan 8.230 nan 0.000 0.432 406 H N -1.557 117.335 119.070 -0.298 0.000 2.556 406 H HA -0.043 4.504 4.556 -0.014 0.000 0.268 406 H C 2.221 177.274 175.328 -0.459 0.000 0.996 406 H CA 0.779 56.550 56.048 -0.462 0.000 1.157 406 H CB 0.086 29.262 29.762 -0.977 0.000 1.355 406 H HN 0.320 nan 8.280 nan 0.000 0.597 407 S N -0.742 114.751 115.700 -0.344 0.000 2.496 407 S HA -0.000 4.462 4.470 -0.014 0.000 0.224 407 S C 0.091 174.436 174.600 -0.425 0.000 0.996 407 S CA 0.028 57.956 58.200 -0.452 0.000 0.927 407 S CB 0.105 62.927 63.200 -0.630 0.000 0.774 407 S HN 0.205 nan 8.310 nan 0.000 0.524 408 Y N 1.290 121.499 120.300 -0.152 0.000 2.602 408 Y HA 0.665 5.207 4.550 -0.014 0.000 0.342 408 Y C -2.701 173.048 175.900 -0.252 0.000 1.029 408 Y CA -2.924 55.074 58.100 -0.171 0.000 1.080 408 Y CB 0.971 39.339 38.460 -0.154 0.000 1.284 408 Y HN -0.085 nan 8.280 nan 0.000 0.485 409 P HA 0.103 nan 4.420 nan 0.000 0.277 409 P C -0.239 176.836 177.300 -0.375 0.000 1.240 409 P CA -0.107 62.646 63.100 -0.578 0.000 0.798 409 P CB 1.204 32.022 31.700 -1.469 0.000 0.979 410 N N 2.586 121.217 118.700 -0.114 0.000 2.049 410 N HA -0.229 4.503 4.740 -0.014 0.000 0.198 410 N C 1.307 176.827 175.510 0.016 0.000 1.030 410 N CA 1.997 55.055 53.050 0.013 0.000 0.870 410 N CB -1.190 37.412 38.487 0.192 0.000 1.045 410 N HN 0.576 nan 8.380 nan 0.000 0.434 411 N N 0.580 119.320 118.700 0.067 0.000 2.364 411 N HA -0.080 4.652 4.740 -0.014 0.000 0.183 411 N C 1.496 176.921 175.510 -0.142 0.000 1.022 411 N CA 0.688 53.768 53.050 0.049 0.000 0.883 411 N CB -0.713 37.790 38.487 0.028 0.000 0.965 411 N HN 0.119 nan 8.380 nan 0.000 0.438 412 V N 1.078 120.730 119.914 -0.437 0.000 2.302 412 V HA -0.119 3.993 4.120 -0.014 0.000 0.243 412 V C 1.758 177.721 176.094 -0.218 0.000 1.036 412 V CA 1.336 63.318 62.300 -0.531 0.000 1.020 412 V CB -0.641 30.765 31.823 -0.695 0.000 0.657 412 V HN 0.264 nan 8.190 nan 0.000 0.453 413 N N 0.624 119.214 118.700 -0.182 0.000 2.258 413 N HA -0.203 4.529 4.740 -0.014 0.000 0.187 413 N C 1.644 177.110 175.510 -0.073 0.000 1.012 413 N CA 1.355 54.343 53.050 -0.103 0.000 0.870 413 N CB -0.278 38.155 38.487 -0.090 0.000 0.977 413 N HN 0.638 nan 8.380 nan 0.000 0.434 414 E N -0.154 120.018 120.200 -0.046 0.000 2.347 414 E HA 0.053 4.395 4.350 -0.014 0.000 0.196 414 E C 0.808 177.402 176.600 -0.010 0.000 1.008 414 E CA 0.636 57.020 56.400 -0.026 0.000 0.852 414 E CB 0.142 29.855 29.700 0.023 0.000 0.783 414 E HN 0.313 nan 8.360 nan 0.000 0.505 415 A N 0.879 123.716 122.820 0.028 0.000 2.564 415 A HA 0.516 4.828 4.320 -0.014 0.000 0.279 415 A C 0.625 178.280 177.584 0.117 0.000 1.232 415 A CA -0.248 51.830 52.037 0.067 0.000 0.950 415 A CB 0.342 19.431 19.000 0.148 0.000 1.138 415 A HN 0.155 nan 8.150 nan 0.000 0.526 416 A N -0.336 122.507 122.820 0.038 0.000 2.477 416 A HA 0.474 4.786 4.320 -0.014 0.000 0.246 416 A C -0.322 177.290 177.584 0.046 0.000 1.078 416 A CA -0.033 52.013 52.037 0.014 0.000 0.770 416 A CB -0.331 18.648 19.000 -0.036 0.000 1.011 416 A HN 0.548 nan 8.150 nan 0.000 0.494 417 F N 2.926 122.782 119.950 -0.156 0.000 2.515 417 F HA 0.182 4.701 4.527 -0.014 0.000 0.353 417 F C 0.311 175.913 175.800 -0.330 0.000 1.213 417 F CA -0.429 57.441 58.000 -0.216 0.000 1.194 417 F CB -0.253 38.539 39.000 -0.347 0.000 1.488 417 F HN 0.634 nan 8.300 nan 0.000 0.619 418 N N 6.796 125.194 118.700 -0.503 0.000 2.420 418 N HA 0.382 5.114 4.740 -0.014 0.000 0.262 418 N C -0.858 174.270 175.510 -0.637 0.000 1.144 418 N CA -0.383 52.224 53.050 -0.738 0.000 0.952 418 N CB 0.830 38.751 38.487 -0.945 0.000 1.081 418 N HN 0.536 nan 8.380 nan 0.000 0.480 419 L N -0.425 120.519 121.223 -0.464 0.000 2.354 419 L HA 0.543 4.875 4.340 -0.014 0.000 0.264 419 L C -0.301 176.538 176.870 -0.052 0.000 1.008 419 L CA -0.958 53.728 54.840 -0.256 0.000 0.819 419 L CB 1.547 43.472 42.059 -0.223 0.000 1.339 419 L HN 0.467 nan 8.230 nan 0.000 0.420 420 L N 1.217 122.419 121.223 -0.036 0.000 2.609 420 L HA 0.571 4.903 4.340 -0.014 0.000 0.230 420 L C 0.778 177.621 176.870 -0.045 0.000 1.087 420 L CA 0.487 55.324 54.840 -0.006 0.000 0.874 420 L CB 0.703 42.695 42.059 -0.112 0.000 1.114 420 L HN 0.956 nan 8.230 nan 0.000 0.488 421 G N -0.922 107.833 108.800 -0.074 0.000 2.547 421 G HA2 0.487 4.438 3.960 -0.014 0.000 0.291 421 G HA3 0.487 4.438 3.960 -0.014 0.000 0.291 421 G C -1.315 173.407 174.900 -0.295 0.000 1.471 421 G CA 0.291 45.301 45.100 -0.149 0.000 0.798 421 G HN -0.020 nan 8.290 nan 0.000 0.504 422 S N -1.419 113.951 115.700 -0.551 0.000 2.800 422 S HA 0.504 4.966 4.470 -0.014 0.000 0.293 422 S C 0.677 174.696 174.600 -0.969 0.000 1.209 422 S CA 0.127 57.894 58.200 -0.721 0.000 0.884 422 S CB 0.981 64.124 63.200 -0.095 0.000 1.244 422 S HN 1.473 nan 8.310 nan 0.000 0.540 423 H N 0.098 118.839 119.070 -0.547 0.000 2.563 423 H HA 0.265 4.813 4.556 -0.014 0.000 0.272 423 H C -0.423 174.806 175.328 -0.166 0.000 1.005 423 H CA 0.645 56.536 56.048 -0.260 0.000 1.171 423 H CB -0.613 29.078 29.762 -0.117 0.000 1.351 423 H HN 0.553 nan 8.280 nan 0.000 0.602 424 D N 1.260 121.372 120.400 -0.480 0.000 2.402 424 D HA 0.080 4.712 4.640 -0.014 0.000 0.216 424 D C 0.607 176.837 176.300 -0.116 0.000 1.128 424 D CA 0.445 54.270 54.000 -0.292 0.000 0.833 424 D CB 0.953 41.649 40.800 -0.173 0.000 0.971 424 D HN 0.558 nan 8.370 nan 0.000 0.503 425 T N -3.301 111.165 114.554 -0.147 0.000 2.792 425 T HA 0.407 4.749 4.350 -0.014 0.000 0.303 425 T C -0.055 174.587 174.700 -0.097 0.000 1.310 425 T CA -0.614 61.436 62.100 -0.084 0.000 1.007 425 T CB 1.647 70.496 68.868 -0.031 0.000 1.335 425 T HN -0.228 nan 8.240 nan 0.000 0.504 426 S N 1.029 116.692 115.700 -0.062 0.000 2.580 426 S HA 0.352 4.814 4.470 -0.014 0.000 0.266 426 S C 0.559 175.129 174.600 -0.050 0.000 1.354 426 S CA -0.770 57.400 58.200 -0.050 0.000 1.008 426 S CB 0.035 63.211 63.200 -0.040 0.000 0.898 426 S HN 0.589 nan 8.310 nan 0.000 0.555 427 R N 1.287 121.769 120.500 -0.030 0.000 2.582 427 R HA 0.163 4.495 4.340 -0.014 0.000 0.271 427 R C 1.647 177.929 176.300 -0.030 0.000 1.078 427 R CA -0.198 55.895 56.100 -0.013 0.000 1.127 427 R CB 0.023 30.317 30.300 -0.011 0.000 1.038 427 R HN 0.735 nan 8.270 nan 0.000 0.500 428 I N -0.361 120.189 120.570 -0.034 0.000 2.439 428 I HA -0.183 3.979 4.170 -0.014 0.000 0.251 428 I C 1.937 178.025 176.117 -0.048 0.000 1.139 428 I CA 0.992 62.258 61.300 -0.058 0.000 1.438 428 I CB -0.291 37.642 38.000 -0.112 0.000 1.085 428 I HN 0.328 nan 8.210 nan 0.000 0.427 429 L N 1.747 122.955 121.223 -0.025 0.000 2.131 429 L HA -0.101 4.231 4.340 -0.014 0.000 0.210 429 L C 2.301 179.149 176.870 -0.036 0.000 1.092 429 L CA 2.158 56.984 54.840 -0.023 0.000 0.759 429 L CB -0.943 41.113 42.059 -0.004 0.000 0.903 429 L HN 0.236 nan 8.230 nan 0.000 0.435 430 T N -1.527 113.007 114.554 -0.034 0.000 2.896 430 T HA -0.073 4.269 4.350 -0.014 0.000 0.263 430 T C 1.921 176.597 174.700 -0.039 0.000 1.050 430 T CA 1.321 63.400 62.100 -0.036 0.000 1.140 430 T CB -0.305 68.543 68.868 -0.033 0.000 0.877 430 T HN 0.195 nan 8.240 nan 0.000 0.457 431 V N 1.051 120.940 119.914 -0.041 0.000 2.594 431 V HA -0.141 3.971 4.120 -0.014 0.000 0.253 431 V C 2.323 178.388 176.094 -0.048 0.000 1.069 431 V CA 0.995 63.270 62.300 -0.042 0.000 1.082 431 V CB -0.817 30.981 31.823 -0.042 0.000 0.680 431 V HN 0.570 nan 8.190 nan 0.000 0.469 432 C N 0.933 120.200 119.300 -0.055 0.000 2.613 432 C HA 0.443 4.895 4.460 -0.014 0.000 0.273 432 C C 1.970 176.919 174.990 -0.069 0.000 1.304 432 C CA 0.013 58.989 59.018 -0.069 0.000 1.702 432 C CB -1.455 26.236 27.740 -0.082 0.000 1.792 432 C HN 0.805 nan 8.230 nan 0.000 0.588 433 G N 0.604 109.372 108.800 -0.053 0.000 2.225 433 G HA2 0.014 3.966 3.960 -0.014 0.000 0.267 433 G HA3 0.014 3.966 3.960 -0.014 0.000 0.267 433 G C 0.999 175.869 174.900 -0.050 0.000 1.024 433 G CA 0.646 45.718 45.100 -0.048 0.000 0.784 433 G HN 1.494 nan 8.290 nan 0.000 0.507 434 G N -1.040 107.730 108.800 -0.051 0.000 2.176 434 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.253 434 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.253 434 G C 0.224 175.087 174.900 -0.062 0.000 0.979 434 G CA 0.886 45.958 45.100 -0.048 0.000 0.641 434 G HN 1.310 nan 8.290 nan 0.000 0.530 435 D N 1.427 121.772 120.400 -0.091 0.000 2.359 435 D HA 0.293 4.925 4.640 -0.014 0.000 0.250 435 D C 1.969 178.186 176.300 -0.138 0.000 1.264 435 D CA -0.647 53.271 54.000 -0.136 0.000 0.911 435 D CB 0.023 40.694 40.800 -0.215 0.000 1.056 435 D HN 0.073 nan 8.370 nan 0.000 0.499 436 I N 4.055 124.565 120.570 -0.100 0.000 2.264 436 I HA -0.252 3.909 4.170 -0.014 0.000 0.248 436 I C 2.262 178.313 176.117 -0.111 0.000 1.111 436 I CA 0.915 62.172 61.300 -0.072 0.000 1.382 436 I CB -0.589 37.386 38.000 -0.042 0.000 1.060 436 I HN 0.440 nan 8.210 nan 0.000 0.418 437 R N 0.923 121.317 120.500 -0.176 0.000 2.096 437 R HA -0.193 4.139 4.340 -0.014 0.000 0.240 437 R C 2.315 178.471 176.300 -0.240 0.000 1.139 437 R CA 1.484 57.461 56.100 -0.205 0.000 0.952 437 R CB -0.264 29.852 30.300 -0.306 0.000 0.854 437 R HN 0.399 nan 8.270 nan 0.000 0.436 438 K N 0.139 120.319 120.400 -0.367 0.000 2.032 438 K HA -0.133 4.179 4.320 -0.014 0.000 0.209 438 K C 2.135 178.659 176.600 -0.127 0.000 1.048 438 K CA 1.604 57.749 56.287 -0.236 0.000 0.927 438 K CB -0.272 32.089 32.500 -0.231 0.000 0.712 438 K HN 0.003 nan 8.250 nan 0.000 0.441 439 V N 2.019 121.876 119.914 -0.095 0.000 2.255 439 V HA -0.305 3.807 4.120 -0.014 0.000 0.247 439 V C 2.054 178.185 176.094 0.063 0.000 1.051 439 V CA 1.847 64.132 62.300 -0.025 0.000 1.018 439 V CB -0.455 31.410 31.823 0.069 0.000 0.641 439 V HN 0.328 nan 8.190 nan 0.000 0.445 440 K N -0.353 120.069 120.400 0.038 0.000 2.160 440 K HA -0.190 4.122 4.320 -0.014 0.000 0.206 440 K C 2.041 178.612 176.600 -0.049 0.000 1.047 440 K CA 1.443 57.728 56.287 -0.004 0.000 0.930 440 K CB -0.341 31.920 32.500 -0.398 0.000 0.720 440 K HN 0.390 nan 8.250 nan 0.000 0.450 441 L N 0.640 121.747 121.223 -0.193 0.000 2.056 441 L HA -0.180 4.152 4.340 -0.014 0.000 0.207 441 L C 2.301 178.821 176.870 -0.584 0.000 1.078 441 L CA 0.973 55.567 54.840 -0.411 0.000 0.749 441 L CB -0.431 41.412 42.059 -0.361 0.000 0.901 441 L HN 0.197 nan 8.230 nan 0.000 0.433 442 L N -1.021 119.943 121.223 -0.431 0.000 1.990 442 L HA -0.282 4.050 4.340 -0.014 0.000 0.213 442 L C 2.581 179.333 176.870 -0.197 0.000 1.072 442 L CA 1.717 56.340 54.840 -0.361 0.000 0.755 442 L CB -0.667 41.213 42.059 -0.299 0.000 0.889 442 L HN 0.126 nan 8.230 nan 0.000 0.432 443 F N -0.591 119.321 119.950 -0.064 0.000 2.161 443 F HA -0.283 4.236 4.527 -0.014 0.000 0.300 443 F C 2.353 178.120 175.800 -0.055 0.000 1.089 443 F CA 1.133 59.119 58.000 -0.024 0.000 1.282 443 F CB -0.325 38.674 39.000 -0.001 0.000 1.010 443 F HN 0.040 nan 8.300 nan 0.000 0.485 444 L N -0.649 120.621 121.223 0.079 0.000 2.017 444 L HA -0.233 4.099 4.340 -0.014 0.000 0.208 444 L C 2.121 179.059 176.870 0.112 0.000 1.073 444 L CA 1.786 56.612 54.840 -0.024 0.000 0.745 444 L CB -0.997 40.918 42.059 -0.241 0.000 0.894 444 L HN 0.137 nan 8.230 nan 0.000 0.432 445 F N -0.252 119.682 119.950 -0.026 0.000 2.206 445 F HA -0.174 4.345 4.527 -0.014 0.000 0.298 445 F C 2.633 178.587 175.800 0.256 0.000 1.090 445 F CA 1.844 59.946 58.000 0.171 0.000 1.323 445 F CB -0.218 38.888 39.000 0.176 0.000 1.028 445 F HN 0.320 nan 8.300 nan 0.000 0.492 446 Q N 0.244 120.244 119.800 0.333 0.000 2.079 446 Q HA -0.157 4.175 4.340 -0.014 0.000 0.200 446 Q C 2.025 178.116 176.000 0.151 0.000 0.974 446 Q CA 1.642 57.626 55.803 0.302 0.000 0.840 446 Q CB -0.207 28.659 28.738 0.213 0.000 0.898 446 Q HN 0.514 nan 8.270 nan 0.000 0.430 447 L N 0.497 121.792 121.223 0.119 0.000 2.395 447 L HA -0.020 4.311 4.340 -0.014 0.000 0.218 447 L C 2.009 178.906 176.870 0.046 0.000 1.130 447 L CA 1.218 56.099 54.840 0.068 0.000 0.826 447 L CB -0.066 42.021 42.059 0.047 0.000 0.941 447 L HN 0.357 nan 8.230 nan 0.000 0.451 448 T N -4.196 110.389 114.554 0.052 0.000 3.086 448 T HA 0.073 4.415 4.350 -0.014 0.000 0.250 448 T C 0.258 174.945 174.700 -0.022 0.000 1.074 448 T CA -0.252 61.870 62.100 0.037 0.000 0.988 448 T CB -0.166 68.778 68.868 0.127 0.000 0.988 448 T HN -0.065 nan 8.240 nan 0.000 0.530 449 F N 3.009 122.824 119.950 -0.224 0.000 2.394 449 F HA 0.463 4.982 4.527 -0.013 0.000 0.340 449 F C 0.444 176.155 175.800 -0.148 0.000 1.105 449 F CA -0.714 57.131 58.000 -0.258 0.000 1.124 449 F CB 1.122 40.000 39.000 -0.204 0.000 1.145 449 F HN -0.097 nan 8.300 nan 0.000 0.505 450 T N 4.348 118.567 114.554 -0.558 0.000 2.916 450 T HA 0.522 4.864 4.350 -0.014 0.000 0.303 450 T C 0.397 174.985 174.700 -0.187 0.000 1.025 450 T CA 0.822 62.715 62.100 -0.345 0.000 1.142 450 T CB 0.342 68.968 68.868 -0.404 0.000 0.947 450 T HN 1.057 nan 8.240 nan 0.000 0.544 451 G N 1.658 110.401 108.800 -0.095 0.000 2.288 451 G HA2 0.248 4.199 3.960 -0.014 0.000 0.227 451 G HA3 0.248 4.199 3.960 -0.014 0.000 0.227 451 G C -0.751 174.126 174.900 -0.038 0.000 1.339 451 G CA -0.253 44.817 45.100 -0.050 0.000 1.057 451 G HN 0.726 nan 8.290 nan 0.000 0.470 452 S N 2.820 118.505 115.700 -0.026 0.000 2.259 452 S HA 0.638 5.099 4.470 -0.014 0.000 0.181 452 S C -2.507 172.041 174.600 -0.086 0.000 1.589 452 S CA -0.794 57.429 58.200 0.038 0.000 1.234 452 S CB 1.155 64.475 63.200 0.200 0.000 1.119 452 S HN 0.595 nan 8.310 nan 0.000 0.458 453 P HA 0.207 nan 4.420 nan 0.000 0.269 453 P C -0.506 176.690 177.300 -0.173 0.000 1.215 453 P CA -0.304 62.676 63.100 -0.199 0.000 0.780 453 P CB 0.709 32.361 31.700 -0.081 0.000 0.898 454 C N 4.449 123.566 119.300 -0.306 0.000 2.481 454 C HA 0.609 5.061 4.460 -0.014 0.000 0.324 454 C C -0.321 174.659 174.990 -0.018 0.000 1.170 454 C CA -0.664 58.258 59.018 -0.160 0.000 1.361 454 C CB -0.459 26.969 27.740 -0.520 0.000 1.977 454 C HN 0.470 nan 8.230 nan 0.000 0.459 455 I N 5.445 126.071 120.570 0.094 0.000 2.392 455 I HA 0.273 4.435 4.170 -0.014 0.000 0.295 455 I C -0.705 175.396 176.117 -0.027 0.000 0.985 455 I CA -0.578 60.775 61.300 0.087 0.000 1.221 455 I CB 1.172 39.277 38.000 0.174 0.000 1.366 455 I HN 0.621 nan 8.210 nan 0.000 0.467 456 Y N 7.961 128.182 120.300 -0.132 0.000 2.336 456 Y HA 0.174 4.716 4.550 -0.014 0.000 0.335 456 Y C -0.034 175.685 175.900 -0.301 0.000 1.046 456 Y CA -1.258 56.745 58.100 -0.161 0.000 1.198 456 Y CB 0.184 38.590 38.460 -0.090 0.000 1.182 456 Y HN 0.437 nan 8.280 nan 0.000 0.502 457 Y N 4.849 124.661 120.300 -0.813 0.000 3.032 457 Y HA 0.235 4.777 4.550 -0.014 0.000 0.344 457 Y C 1.079 176.777 175.900 -0.336 0.000 1.273 457 Y CA 0.217 57.948 58.100 -0.615 0.000 1.588 457 Y CB -0.266 38.000 38.460 -0.323 0.000 1.209 457 Y HN 0.952 nan 8.280 nan 0.000 0.597 458 G N 2.771 111.519 108.800 -0.087 0.000 2.383 458 G HA2 -0.396 3.555 3.960 -0.014 0.000 0.229 458 G HA3 -0.396 3.555 3.960 -0.014 0.000 0.229 458 G C 0.873 175.729 174.900 -0.073 0.000 1.089 458 G CA 0.382 45.381 45.100 -0.169 0.000 0.640 458 G HN 0.637 nan 8.290 nan 0.000 0.510 459 D N 1.517 121.877 120.400 -0.068 0.000 2.191 459 D HA -0.114 4.518 4.640 -0.014 0.000 0.195 459 D C 2.495 178.962 176.300 0.278 0.000 1.003 459 D CA 1.689 55.777 54.000 0.146 0.000 0.867 459 D CB -0.131 40.813 40.800 0.241 0.000 0.926 459 D HN 0.762 nan 8.370 nan 0.000 0.450 460 E N 1.008 121.322 120.200 0.190 0.000 2.265 460 E HA -0.169 4.173 4.350 -0.014 0.000 0.196 460 E C 1.810 178.438 176.600 0.045 0.000 0.996 460 E CA 0.721 57.109 56.400 -0.020 0.000 0.832 460 E CB -0.568 29.112 29.700 -0.033 0.000 0.756 460 E HN 0.552 nan 8.360 nan 0.000 0.491 461 I N -3.382 117.259 120.570 0.118 0.000 3.816 461 I HA 0.549 4.711 4.170 -0.014 0.000 0.334 461 I C 0.768 176.915 176.117 0.050 0.000 1.551 461 I CA -0.100 61.267 61.300 0.111 0.000 1.153 461 I CB 0.342 38.413 38.000 0.118 0.000 1.197 461 I HN 0.025 nan 8.210 nan 0.000 0.439 462 G N 2.160 110.995 108.800 0.058 0.000 2.221 462 G HA2 -0.278 3.674 3.960 -0.014 0.000 0.265 462 G HA3 -0.278 3.674 3.960 -0.014 0.000 0.265 462 G C 0.096 174.991 174.900 -0.009 0.000 1.041 462 G CA 0.110 45.231 45.100 0.035 0.000 0.807 462 G HN 0.519 nan 8.290 nan 0.000 0.502 463 M N 0.613 120.187 119.600 -0.044 0.000 2.245 463 M HA 0.311 4.783 4.480 -0.014 0.000 0.344 463 M C 0.881 177.139 176.300 -0.070 0.000 1.170 463 M CA 0.792 56.037 55.300 -0.091 0.000 1.135 463 M CB 0.520 33.009 32.600 -0.185 0.000 1.574 463 M HN 0.244 nan 8.290 nan 0.000 0.452 464 T N 0.839 115.352 114.554 -0.068 0.000 2.938 464 T HA 0.883 5.225 4.350 -0.014 0.000 0.285 464 T C -0.092 174.576 174.700 -0.054 0.000 1.028 464 T CA -0.614 61.456 62.100 -0.050 0.000 1.005 464 T CB 1.948 70.793 68.868 -0.039 0.000 1.157 464 T HN 0.937 nan 8.240 nan 0.000 0.550 465 G N -0.968 107.807 108.800 -0.041 0.000 2.312 465 G HA2 0.452 4.404 3.960 -0.014 0.000 0.347 465 G HA3 0.452 4.404 3.960 -0.014 0.000 0.347 465 G C -0.329 174.551 174.900 -0.033 0.000 1.564 465 G CA -0.393 44.684 45.100 -0.039 0.000 0.981 465 G HN 0.898 nan 8.290 nan 0.000 0.678 466 G N -0.199 108.582 108.800 -0.032 0.000 2.509 466 G HA2 0.504 4.455 3.960 -0.014 0.000 0.269 466 G HA3 0.504 4.455 3.960 -0.014 0.000 0.269 466 G C 0.339 175.216 174.900 -0.038 0.000 1.416 466 G CA -0.329 44.751 45.100 -0.034 0.000 1.052 466 G HN 0.728 nan 8.290 nan 0.000 0.542 467 N N 0.204 118.878 118.700 -0.043 0.000 2.415 467 N HA 0.029 4.761 4.740 -0.014 0.000 0.248 467 N C 0.049 175.529 175.510 -0.050 0.000 1.271 467 N CA -0.321 52.697 53.050 -0.053 0.000 0.913 467 N CB 0.649 39.101 38.487 -0.058 0.000 1.129 467 N HN 0.407 nan 8.380 nan 0.000 0.444 468 D N 0.932 121.293 120.400 -0.064 0.000 3.046 468 D HA -0.119 4.512 4.640 -0.014 0.000 0.213 468 D C -1.549 174.734 176.300 -0.028 0.000 1.074 468 D CA -0.277 53.692 54.000 -0.053 0.000 0.785 468 D CB 0.597 41.355 40.800 -0.071 0.000 1.160 468 D HN 0.386 nan 8.370 nan 0.000 0.524 469 P HA 0.069 nan 4.420 nan 0.000 0.261 469 P C 0.885 178.176 177.300 -0.016 0.000 1.268 469 P CA 0.046 63.145 63.100 -0.003 0.000 0.833 469 P CB 0.392 32.115 31.700 0.039 0.000 1.231 470 E N 0.423 120.611 120.200 -0.020 0.000 2.219 470 E HA -0.185 4.156 4.350 -0.014 0.000 0.198 470 E C 1.586 178.166 176.600 -0.034 0.000 0.998 470 E CA 1.626 58.010 56.400 -0.027 0.000 0.818 470 E CB -0.306 29.378 29.700 -0.026 0.000 0.741 470 E HN 0.391 nan 8.360 nan 0.000 0.477 471 C N -0.812 118.474 119.300 -0.024 0.000 2.522 471 C HA 0.227 4.678 4.460 -0.014 0.000 0.271 471 C C 1.563 176.585 174.990 0.053 0.000 1.425 471 C CA -0.470 58.558 59.018 0.017 0.000 1.751 471 C CB -0.902 26.846 27.740 0.014 0.000 1.775 471 C HN 0.117 nan 8.230 nan 0.000 0.557 472 R N 0.881 121.371 120.500 -0.016 0.000 2.694 472 R HA 0.251 4.583 4.340 -0.014 0.000 0.334 472 R C 0.246 176.532 176.300 -0.023 0.000 1.143 472 R CA -0.195 55.893 56.100 -0.021 0.000 1.073 472 R CB 0.074 30.241 30.300 -0.222 0.000 1.366 472 R HN 0.562 nan 8.270 nan 0.000 0.577 473 K N 0.449 120.794 120.400 -0.092 0.000 2.336 473 K HA 0.075 4.387 4.320 -0.014 0.000 0.262 473 K C 0.065 176.508 176.600 -0.262 0.000 0.992 473 K CA -0.164 55.980 56.287 -0.238 0.000 0.927 473 K CB 0.674 33.054 32.500 -0.200 0.000 0.956 473 K HN 0.148 nan 8.250 nan 0.000 0.495 474 C N 2.614 121.559 119.300 -0.592 0.000 2.642 474 C HA 0.001 4.453 4.460 -0.014 0.000 0.420 474 C C 0.856 175.733 174.990 -0.188 0.000 1.349 474 C CA -0.673 57.919 59.018 -0.711 0.000 1.821 474 C CB -0.674 26.130 27.740 -1.560 0.000 2.637 474 C HN 0.707 nan 8.230 nan 0.000 0.605 475 M N 4.141 123.836 119.600 0.159 0.000 2.245 475 M HA 0.128 4.600 4.480 -0.014 0.000 0.335 475 M C -0.381 175.789 176.300 -0.217 0.000 1.155 475 M CA 0.591 55.904 55.300 0.022 0.000 1.055 475 M CB 0.306 32.839 32.600 -0.111 0.000 1.670 475 M HN 0.485 nan 8.290 nan 0.000 0.447 476 V N 7.694 127.362 119.914 -0.411 0.000 2.385 476 V HA 0.096 4.208 4.120 -0.014 0.000 0.269 476 V C -0.081 175.693 176.094 -0.532 0.000 1.043 476 V CA 0.152 62.267 62.300 -0.308 0.000 0.906 476 V CB 0.214 31.929 31.823 -0.180 0.000 0.995 476 V HN 1.077 nan 8.190 nan 0.000 0.467 477 W N 0.846 122.128 121.300 -0.031 0.000 2.993 477 W HA 0.218 4.869 4.660 -0.014 0.000 0.290 477 W C 0.966 177.435 176.519 -0.083 0.000 1.203 477 W CA -0.505 56.760 57.345 -0.132 0.000 1.582 477 W CB 0.484 29.836 29.460 -0.181 0.000 1.033 477 W HN 0.469 nan 8.180 nan 0.000 0.594 478 D N 1.686 122.174 120.400 0.148 0.000 2.363 478 D HA 0.017 4.649 4.640 -0.014 0.000 0.263 478 D C -1.620 174.706 176.300 0.044 0.000 1.258 478 D CA -1.377 52.677 54.000 0.089 0.000 0.907 478 D CB 1.550 42.398 40.800 0.080 0.000 1.107 478 D HN -0.085 nan 8.370 nan 0.000 0.495 479 P HA -0.115 nan 4.420 nan 0.000 0.215 479 P C 1.579 178.885 177.300 0.009 0.000 1.153 479 P CA 0.914 64.022 63.100 0.012 0.000 0.853 479 P CB 0.117 31.822 31.700 0.008 0.000 0.788 480 M N -1.146 118.463 119.600 0.015 0.000 2.706 480 M HA -0.097 4.375 4.480 -0.014 0.000 0.251 480 M C 0.844 177.151 176.300 0.011 0.000 1.070 480 M CA 1.515 56.822 55.300 0.013 0.000 1.073 480 M CB -0.889 31.720 32.600 0.016 0.000 1.449 480 M HN 0.037 nan 8.290 nan 0.000 0.531 481 Q N -0.185 119.621 119.800 0.010 0.000 2.127 481 Q HA 0.203 4.535 4.340 -0.014 0.000 0.222 481 Q C -0.034 175.962 176.000 -0.007 0.000 0.794 481 Q CA 0.116 55.921 55.803 0.004 0.000 1.010 481 Q CB 0.820 29.564 28.738 0.010 0.000 1.170 481 Q HN 0.657 nan 8.270 nan 0.000 0.479 482 Q N -0.104 119.692 119.800 -0.007 0.000 2.333 482 Q HA 0.396 4.728 4.340 -0.014 0.000 0.267 482 Q C -0.348 175.660 176.000 0.013 0.000 1.012 482 Q CA -0.688 55.111 55.803 -0.008 0.000 0.824 482 Q CB 1.321 30.043 28.738 -0.026 0.000 1.290 482 Q HN -0.198 nan 8.270 nan 0.000 0.449 483 N N 2.336 121.052 118.700 0.027 0.000 2.434 483 N HA -0.056 4.676 4.740 -0.014 0.000 0.268 483 N C 0.066 175.618 175.510 0.070 0.000 1.256 483 N CA 0.300 53.374 53.050 0.040 0.000 0.914 483 N CB 1.151 39.661 38.487 0.039 0.000 1.088 483 N HN 0.658 nan 8.380 nan 0.000 0.478 484 K N 3.150 123.582 120.400 0.054 0.000 2.243 484 K HA -0.008 4.303 4.320 -0.014 0.000 0.201 484 K C 1.572 178.231 176.600 0.098 0.000 1.051 484 K CA 0.672 56.998 56.287 0.067 0.000 0.970 484 K CB 0.038 32.554 32.500 0.026 0.000 0.755 484 K HN 0.660 nan 8.250 nan 0.000 0.465 485 E N 0.387 120.629 120.200 0.070 0.000 2.012 485 E HA -0.233 4.109 4.350 -0.014 0.000 0.197 485 E C 1.818 178.471 176.600 0.088 0.000 1.007 485 E CA 1.501 57.940 56.400 0.065 0.000 0.816 485 E CB -0.170 29.549 29.700 0.032 0.000 0.762 485 E HN 0.241 nan 8.360 nan 0.000 0.451 486 L N 0.696 121.960 121.223 0.067 0.000 1.989 486 L HA -0.265 4.067 4.340 -0.014 0.000 0.211 486 L C 2.949 179.831 176.870 0.021 0.000 1.071 486 L CA 1.757 56.622 54.840 0.041 0.000 0.749 486 L CB -0.735 41.335 42.059 0.017 0.000 0.890 486 L HN 0.443 nan 8.230 nan 0.000 0.431 487 H N 0.029 119.090 119.070 -0.015 0.000 2.289 487 H HA -0.219 4.329 4.556 -0.013 0.000 0.294 487 H C 2.205 177.526 175.328 -0.012 0.000 1.095 487 H CA 2.076 58.120 56.048 -0.007 0.000 1.256 487 H CB 0.153 29.955 29.762 0.066 0.000 1.359 487 H HN 0.369 nan 8.280 nan 0.000 0.487 488 Q N -0.371 119.566 119.800 0.229 0.000 2.119 488 Q HA -0.134 4.198 4.340 -0.014 0.000 0.201 488 Q C 2.354 178.399 176.000 0.075 0.000 0.972 488 Q CA 1.414 57.314 55.803 0.162 0.000 0.847 488 Q CB -0.853 27.976 28.738 0.151 0.000 0.903 488 Q HN 0.681 nan 8.270 nan 0.000 0.433 489 H N 0.801 119.859 119.070 -0.020 0.000 2.319 489 H HA -0.072 4.476 4.556 -0.014 0.000 0.299 489 H C 1.844 177.100 175.328 -0.120 0.000 1.092 489 H CA 1.768 57.793 56.048 -0.038 0.000 1.302 489 H CB 0.014 29.751 29.762 -0.041 0.000 1.373 489 H HN -0.003 nan 8.280 nan 0.000 0.497 490 V N 0.740 120.444 119.914 -0.351 0.000 2.453 490 V HA -0.177 3.935 4.120 -0.014 0.000 0.247 490 V C 2.522 178.435 176.094 -0.302 0.000 1.048 490 V CA 2.024 64.042 62.300 -0.469 0.000 1.049 490 V CB -0.532 30.923 31.823 -0.612 0.000 0.672 490 V HN 0.428 nan 8.190 nan 0.000 0.457 491 K N -0.159 120.094 120.400 -0.246 0.000 2.097 491 K HA -0.227 4.084 4.320 -0.014 0.000 0.205 491 K C 2.258 178.801 176.600 -0.096 0.000 1.050 491 K CA 1.572 57.764 56.287 -0.159 0.000 0.938 491 K CB -0.074 32.374 32.500 -0.086 0.000 0.718 491 K HN 0.486 nan 8.250 nan 0.000 0.442 492 Q N 0.459 120.207 119.800 -0.088 0.000 2.020 492 Q HA -0.135 4.197 4.340 -0.014 0.000 0.202 492 Q C 2.198 178.158 176.000 -0.067 0.000 0.982 492 Q CA 1.648 57.423 55.803 -0.046 0.000 0.838 492 Q CB -0.014 28.717 28.738 -0.011 0.000 0.899 492 Q HN 0.354 nan 8.270 nan 0.000 0.423 493 L N 0.113 121.243 121.223 -0.155 0.000 2.056 493 L HA -0.175 4.157 4.340 -0.014 0.000 0.207 493 L C 2.370 179.201 176.870 -0.065 0.000 1.078 493 L CA 0.768 55.533 54.840 -0.124 0.000 0.749 493 L CB -0.445 41.484 42.059 -0.217 0.000 0.901 493 L HN 0.290 nan 8.230 nan 0.000 0.433 494 I N 0.245 120.765 120.570 -0.082 0.000 2.335 494 I HA -0.317 3.845 4.170 -0.014 0.000 0.251 494 I C 2.798 178.900 176.117 -0.026 0.000 1.129 494 I CA 1.145 62.415 61.300 -0.050 0.000 1.402 494 I CB -0.411 37.548 38.000 -0.069 0.000 1.069 494 I HN 0.246 nan 8.210 nan 0.000 0.424 495 A N 1.065 123.871 122.820 -0.022 0.000 1.841 495 A HA -0.151 4.161 4.320 -0.014 0.000 0.214 495 A C 2.263 179.875 177.584 0.047 0.000 1.195 495 A CA 1.203 53.242 52.037 0.004 0.000 0.611 495 A CB -0.926 18.078 19.000 0.008 0.000 0.835 495 A HN 0.345 nan 8.150 nan 0.000 0.443 496 L N -0.937 120.329 121.223 0.072 0.000 2.129 496 L HA -0.238 4.094 4.340 -0.014 0.000 0.212 496 L C 2.794 179.778 176.870 0.190 0.000 1.087 496 L CA 1.815 56.756 54.840 0.169 0.000 0.757 496 L CB -0.433 41.682 42.059 0.093 0.000 0.896 496 L HN 0.490 nan 8.230 nan 0.000 0.434 497 R N 0.502 121.053 120.500 0.085 0.000 2.096 497 R HA -0.209 4.122 4.340 -0.014 0.000 0.235 497 R C 2.337 178.671 176.300 0.056 0.000 1.127 497 R CA 1.565 57.704 56.100 0.065 0.000 0.968 497 R CB -0.027 30.286 30.300 0.021 0.000 0.861 497 R HN 0.187 nan 8.270 nan 0.000 0.440 498 K N -0.070 120.349 120.400 0.032 0.000 2.062 498 K HA -0.123 4.189 4.320 -0.014 0.000 0.205 498 K C 2.088 178.675 176.600 -0.021 0.000 1.051 498 K CA 1.416 57.703 56.287 -0.001 0.000 0.941 498 K CB 0.130 32.621 32.500 -0.016 0.000 0.719 498 K HN 0.258 nan 8.250 nan 0.000 0.440 499 Q N -0.783 119.004 119.800 -0.021 0.000 2.079 499 Q HA -0.122 4.210 4.340 -0.014 0.000 0.200 499 Q C -0.184 175.608 176.000 -0.345 0.000 0.974 499 Q CA 1.129 56.821 55.803 -0.185 0.000 0.840 499 Q CB 0.103 28.706 28.738 -0.225 0.000 0.898 499 Q HN 0.262 nan 8.270 nan 0.000 0.430 500 Y N 0.033 120.323 120.300 -0.016 0.000 2.434 500 Y HA 0.214 4.755 4.550 -0.014 0.000 0.341 500 Y C 1.003 176.888 175.900 -0.026 0.000 0.965 500 Y CA -0.538 57.551 58.100 -0.019 0.000 1.205 500 Y CB 0.662 39.112 38.460 -0.016 0.000 1.121 500 Y HN -0.052 nan 8.280 nan 0.000 0.507 501 R N 1.101 121.631 120.500 0.050 0.000 2.073 501 R HA -0.189 4.142 4.340 -0.014 0.000 0.234 501 R C 2.214 178.530 176.300 0.027 0.000 1.134 501 R CA 1.875 57.988 56.100 0.022 0.000 0.952 501 R CB -0.118 30.180 30.300 -0.003 0.000 0.850 501 R HN 0.816 nan 8.270 nan 0.000 0.433 502 S N 0.474 116.201 115.700 0.044 0.000 2.441 502 S HA -0.164 4.298 4.470 -0.014 0.000 0.242 502 S C 1.911 176.505 174.600 -0.010 0.000 1.018 502 S CA 1.223 59.430 58.200 0.011 0.000 0.988 502 S CB -0.475 62.739 63.200 0.023 0.000 0.778 502 S HN 0.389 nan 8.310 nan 0.000 0.498 503 L N 0.921 122.161 121.223 0.027 0.000 2.313 503 L HA 0.064 4.396 4.340 -0.014 0.000 0.214 503 L C 2.736 179.584 176.870 -0.037 0.000 1.119 503 L CA 1.204 56.044 54.840 0.000 0.000 0.809 503 L CB -0.350 41.735 42.059 0.044 0.000 0.933 503 L HN 0.553 nan 8.230 nan 0.000 0.449 504 R N -1.293 119.187 120.500 -0.033 0.000 2.419 504 R HA 0.195 4.527 4.340 -0.014 0.000 0.235 504 R C 1.424 177.683 176.300 -0.069 0.000 0.899 504 R CA -0.125 55.944 56.100 -0.052 0.000 1.048 504 R CB 0.296 30.578 30.300 -0.029 0.000 1.182 504 R HN 0.069 nan 8.270 nan 0.000 0.544 505 R N 0.556 121.019 120.500 -0.063 0.000 2.544 505 R HA 0.225 4.557 4.340 -0.014 0.000 0.303 505 R C 0.421 176.674 176.300 -0.079 0.000 0.939 505 R CA 0.318 56.383 56.100 -0.058 0.000 1.102 505 R CB 1.564 31.851 30.300 -0.022 0.000 1.440 505 R HN 0.203 nan 8.270 nan 0.000 0.532 506 G N 0.532 109.275 108.800 -0.096 0.000 2.569 506 G HA2 0.044 3.996 3.960 -0.014 0.000 0.249 506 G HA3 0.044 3.996 3.960 -0.014 0.000 0.249 506 G C -0.615 174.184 174.900 -0.169 0.000 1.216 506 G CA -0.332 44.702 45.100 -0.110 0.000 0.845 506 G HN 0.106 nan 8.290 nan 0.000 0.568 507 E N -0.178 119.928 120.200 -0.157 0.000 2.349 507 E HA 0.371 4.713 4.350 -0.014 0.000 0.265 507 E C -0.718 175.770 176.600 -0.187 0.000 1.064 507 E CA -0.496 55.789 56.400 -0.192 0.000 0.886 507 E CB 1.216 30.809 29.700 -0.179 0.000 1.036 507 E HN 0.336 nan 8.360 nan 0.000 0.413 508 I N 1.565 122.009 120.570 -0.210 0.000 2.740 508 I HA 0.374 4.536 4.170 -0.014 0.000 0.303 508 I C -1.347 174.691 176.117 -0.132 0.000 1.044 508 I CA -0.329 60.845 61.300 -0.209 0.000 1.064 508 I CB 1.768 39.570 38.000 -0.330 0.000 1.249 508 I HN 0.632 nan 8.210 nan 0.000 0.433 509 S N 4.574 120.177 115.700 -0.161 0.000 2.535 509 S HA 0.567 5.029 4.470 -0.014 0.000 0.272 509 S C -1.259 173.276 174.600 -0.108 0.000 1.149 509 S CA -0.745 57.440 58.200 -0.026 0.000 0.888 509 S CB 1.116 64.343 63.200 0.045 0.000 1.110 509 S HN 0.380 nan 8.310 nan 0.000 0.463 510 F N 1.286 121.287 119.950 0.084 0.000 2.421 510 F HA 0.669 5.187 4.527 -0.014 0.000 0.337 510 F C -0.146 175.642 175.800 -0.021 0.000 1.105 510 F CA -0.972 57.064 58.000 0.059 0.000 1.049 510 F CB 0.964 39.933 39.000 -0.052 0.000 1.139 510 F HN 0.394 nan 8.300 nan 0.000 0.479 511 L N 2.862 124.197 121.223 0.187 0.000 2.360 511 L HA 0.395 4.727 4.340 -0.014 0.000 0.271 511 L C -0.502 176.426 176.870 0.096 0.000 1.057 511 L CA -0.637 54.317 54.840 0.190 0.000 0.803 511 L CB 0.689 42.855 42.059 0.179 0.000 1.207 511 L HN 0.451 nan 8.230 nan 0.000 0.445 512 H N 1.020 120.177 119.070 0.146 0.000 2.519 512 H HA 0.701 5.249 4.556 -0.013 0.000 0.316 512 H C -0.165 175.233 175.328 0.117 0.000 1.065 512 H CA -0.588 55.533 56.048 0.122 0.000 1.264 512 H CB 1.052 30.863 29.762 0.081 0.000 1.413 512 H HN 0.707 nan 8.280 nan 0.000 0.465 513 A N 2.347 125.297 122.820 0.218 0.000 2.304 513 A HA 0.212 4.524 4.320 -0.014 0.000 0.301 513 A C 0.631 178.301 177.584 0.144 0.000 1.132 513 A CA -0.675 51.479 52.037 0.194 0.000 0.819 513 A CB 0.397 19.548 19.000 0.251 0.000 1.094 513 A HN 0.843 nan 8.150 nan 0.000 0.492 514 D N 0.011 120.480 120.400 0.114 0.000 2.228 514 D HA -0.113 4.519 4.640 -0.014 0.000 0.203 514 D C 0.123 176.441 176.300 0.030 0.000 0.988 514 D CA 2.135 56.176 54.000 0.069 0.000 0.864 514 D CB 0.126 40.960 40.800 0.057 0.000 0.928 514 D HN 0.666 nan 8.370 nan 0.000 0.469 515 D N 0.222 120.624 120.400 0.004 0.000 2.505 515 D HA 0.060 4.692 4.640 -0.014 0.000 0.242 515 D C -0.505 175.722 176.300 -0.121 0.000 1.136 515 D CA -0.227 53.707 54.000 -0.111 0.000 0.954 515 D CB 0.085 40.724 40.800 -0.268 0.000 1.002 515 D HN -0.018 nan 8.370 nan 0.000 0.512 516 E N 2.603 122.783 120.200 -0.033 0.000 2.424 516 E HA 0.013 4.355 4.350 -0.014 0.000 0.237 516 E C 0.634 177.218 176.600 -0.026 0.000 1.381 516 E CA -0.134 56.265 56.400 -0.001 0.000 1.587 516 E CB 0.332 30.046 29.700 0.022 0.000 1.398 516 E HN 0.519 nan 8.360 nan 0.000 0.439 517 M N 0.426 119.967 119.600 -0.098 0.000 2.553 517 M HA 0.061 4.533 4.480 -0.014 0.000 0.255 517 M C 1.051 177.337 176.300 -0.023 0.000 1.181 517 M CA 1.433 56.685 55.300 -0.080 0.000 1.210 517 M CB 0.559 33.069 32.600 -0.149 0.000 1.280 517 M HN -0.004 nan 8.290 nan 0.000 0.495 518 N N -1.906 116.720 118.700 -0.124 0.000 2.193 518 N HA 0.124 4.856 4.740 -0.014 0.000 0.210 518 N C -0.838 174.883 175.510 0.353 0.000 1.215 518 N CA 0.082 53.159 53.050 0.045 0.000 0.901 518 N CB 0.408 38.887 38.487 -0.014 0.000 1.060 518 N HN 0.361 nan 8.380 nan 0.000 0.508 519 Y N 1.310 121.693 120.300 0.139 0.000 2.383 519 Y HA 0.378 4.920 4.550 -0.014 0.000 0.344 519 Y C -0.166 175.865 175.900 0.219 0.000 0.986 519 Y CA -1.121 57.077 58.100 0.163 0.000 1.175 519 Y CB 1.257 39.787 38.460 0.117 0.000 1.152 519 Y HN -0.151 nan 8.280 nan 0.000 0.511 520 L N 6.742 128.241 121.223 0.459 0.000 2.298 520 L HA 0.559 4.891 4.340 -0.014 0.000 0.284 520 L C -0.847 176.284 176.870 0.436 0.000 1.013 520 L CA -0.845 54.270 54.840 0.458 0.000 0.824 520 L CB 0.658 43.056 42.059 0.564 0.000 1.221 520 L HN 0.434 nan 8.230 nan 0.000 0.418 521 I N 5.757 126.562 120.570 0.392 0.000 2.447 521 I HA 0.535 4.697 4.170 -0.014 0.000 0.287 521 I C -0.992 175.297 176.117 0.286 0.000 1.023 521 I CA -0.795 60.655 61.300 0.251 0.000 1.083 521 I CB 1.252 39.366 38.000 0.190 0.000 1.245 521 I HN 0.647 nan 8.210 nan 0.000 0.434 522 Y N 3.982 124.338 120.300 0.093 0.000 2.689 522 Y HA 0.836 5.378 4.550 -0.014 0.000 0.333 522 Y C -1.393 174.453 175.900 -0.089 0.000 1.190 522 Y CA -1.500 56.522 58.100 -0.130 0.000 1.063 522 Y CB 1.577 39.736 38.460 -0.501 0.000 1.294 522 Y HN 0.627 nan 8.280 nan 0.000 0.466 523 K N 0.534 120.980 120.400 0.076 0.000 2.542 523 K HA 0.563 4.875 4.320 -0.014 0.000 0.259 523 K C -1.767 174.843 176.600 0.017 0.000 0.932 523 K CA -1.177 55.120 56.287 0.016 0.000 0.820 523 K CB 2.406 34.899 32.500 -0.012 0.000 1.345 523 K HN 0.431 nan 8.250 nan 0.000 0.432 524 K N 1.556 121.956 120.400 0.001 0.000 2.110 524 K HA 0.430 4.742 4.320 -0.014 0.000 0.263 524 K C -0.740 175.832 176.600 -0.046 0.000 0.975 524 K CA -0.772 55.488 56.287 -0.045 0.000 0.895 524 K CB 1.808 34.281 32.500 -0.045 0.000 1.060 524 K HN 0.776 nan 8.250 nan 0.000 0.448 525 T N 1.788 116.305 114.554 -0.062 0.000 3.187 525 T HA 0.032 4.374 4.350 -0.014 0.000 0.328 525 T C 0.171 174.839 174.700 -0.053 0.000 0.951 525 T CA -0.750 61.321 62.100 -0.048 0.000 1.049 525 T CB 0.630 69.473 68.868 -0.042 0.000 1.015 525 T HN 0.564 nan 8.240 nan 0.000 0.461 526 D N 1.604 121.983 120.400 -0.035 0.000 2.371 526 D HA 0.138 4.769 4.640 -0.014 0.000 0.221 526 D C 1.572 177.855 176.300 -0.028 0.000 0.986 526 D CA 1.185 55.166 54.000 -0.031 0.000 0.899 526 D CB 0.068 40.860 40.800 -0.013 0.000 0.902 526 D HN 0.821 nan 8.370 nan 0.000 0.530 527 G N 0.513 109.295 108.800 -0.030 0.000 2.799 527 G HA2 -0.294 3.658 3.960 -0.014 0.000 0.200 527 G HA3 -0.294 3.658 3.960 -0.014 0.000 0.200 527 G C 0.761 175.649 174.900 -0.021 0.000 1.206 527 G CA 0.486 45.572 45.100 -0.025 0.000 0.827 527 G HN 0.478 nan 8.290 nan 0.000 0.511 528 D N 1.146 121.532 120.400 -0.023 0.000 2.584 528 D HA 0.158 4.790 4.640 -0.014 0.000 0.254 528 D C 1.027 177.302 176.300 -0.042 0.000 1.085 528 D CA 1.106 55.085 54.000 -0.035 0.000 0.971 528 D CB -0.195 40.586 40.800 -0.032 0.000 1.103 528 D HN 0.491 nan 8.370 nan 0.000 0.453 529 E N -0.814 119.374 120.200 -0.020 0.000 2.436 529 E HA 0.155 4.497 4.350 -0.014 0.000 0.262 529 E C -0.932 175.662 176.600 -0.011 0.000 1.063 529 E CA 0.612 57.016 56.400 0.007 0.000 0.944 529 E CB 0.367 30.100 29.700 0.055 0.000 0.950 529 E HN 0.168 nan 8.360 nan 0.000 0.444 530 T N 2.708 117.255 114.554 -0.012 0.000 3.829 530 T HA 0.226 4.568 4.350 -0.014 0.000 0.332 530 T C -1.241 173.428 174.700 -0.051 0.000 0.845 530 T CA -0.612 61.461 62.100 -0.045 0.000 1.010 530 T CB 0.747 69.557 68.868 -0.097 0.000 1.051 530 T HN 0.214 nan 8.240 nan 0.000 0.465 531 V N 3.913 123.794 119.914 -0.054 0.000 2.612 531 V HA 0.697 4.809 4.120 -0.014 0.000 0.301 531 V C -0.289 175.759 176.094 -0.077 0.000 1.046 531 V CA -0.860 61.382 62.300 -0.096 0.000 0.946 531 V CB 1.836 33.559 31.823 -0.168 0.000 1.003 531 V HN 0.692 nan 8.190 nan 0.000 0.459 532 L N 5.077 126.261 121.223 -0.064 0.000 2.346 532 L HA 0.807 5.139 4.340 -0.014 0.000 0.276 532 L C -0.723 176.062 176.870 -0.142 0.000 1.006 532 L CA -0.002 54.799 54.840 -0.065 0.000 0.817 532 L CB 1.991 44.080 42.059 0.048 0.000 1.272 532 L HN 0.433 nan 8.230 nan 0.000 0.421 533 V N 5.703 125.424 119.914 -0.323 0.000 2.735 533 V HA 0.596 4.708 4.120 -0.014 0.000 0.310 533 V C -0.435 175.504 176.094 -0.258 0.000 1.061 533 V CA -0.472 61.597 62.300 -0.385 0.000 0.913 533 V CB 2.026 33.389 31.823 -0.768 0.000 1.005 533 V HN 0.639 nan 8.190 nan 0.000 0.428 534 I N 4.887 125.413 120.570 -0.073 0.000 2.534 534 I HA 0.563 4.725 4.170 -0.014 0.000 0.288 534 I C -1.104 175.098 176.117 0.141 0.000 1.077 534 I CA -0.339 60.990 61.300 0.049 0.000 1.051 534 I CB 2.154 40.185 38.000 0.052 0.000 1.234 534 I HN 0.384 nan 8.210 nan 0.000 0.425 535 I N 4.491 125.206 120.570 0.241 0.000 2.498 535 I HA 0.289 4.451 4.170 -0.014 0.000 0.290 535 I C -0.545 175.724 176.117 0.254 0.000 1.032 535 I CA -0.612 60.877 61.300 0.315 0.000 1.073 535 I CB 2.206 40.499 38.000 0.487 0.000 1.251 535 I HN 0.491 nan 8.210 nan 0.000 0.426 536 N N 5.533 124.329 118.700 0.159 0.000 2.645 536 N HA 0.142 4.874 4.740 -0.014 0.000 0.233 536 N C -0.307 175.220 175.510 0.029 0.000 1.058 536 N CA -0.368 52.721 53.050 0.065 0.000 0.942 536 N CB 0.562 39.009 38.487 -0.067 0.000 1.210 536 N HN 0.423 nan 8.380 nan 0.000 0.512 537 R N 2.859 123.406 120.500 0.079 0.000 2.891 537 R HA 0.199 4.531 4.340 -0.014 0.000 0.248 537 R C -1.020 175.092 176.300 -0.314 0.000 1.439 537 R CA 0.051 56.064 56.100 -0.145 0.000 1.288 537 R CB -0.644 29.537 30.300 -0.198 0.000 1.212 537 R HN 0.734 nan 8.270 nan 0.000 0.605 538 S N 0.292 115.612 115.700 -0.632 0.000 2.597 538 S HA 0.028 4.490 4.470 -0.014 0.000 0.274 538 S C -0.333 173.856 174.600 -0.684 0.000 1.132 538 S CA -0.960 56.950 58.200 -0.484 0.000 0.835 538 S CB 1.113 64.224 63.200 -0.147 0.000 1.092 538 S HN 0.420 nan 8.310 nan 0.000 0.457 539 D N -0.077 120.154 120.400 -0.282 0.000 2.324 539 D HA 0.147 4.779 4.640 -0.014 0.000 0.235 539 D C 0.163 176.456 176.300 -0.011 0.000 1.095 539 D CA 0.277 54.260 54.000 -0.028 0.000 0.871 539 D CB -0.152 40.725 40.800 0.129 0.000 0.906 539 D HN 0.594 nan 8.370 nan 0.000 0.522 540 Q N 0.253 120.021 119.800 -0.055 0.000 2.397 540 Q HA 0.288 4.620 4.340 -0.014 0.000 0.275 540 Q C -0.454 175.540 176.000 -0.011 0.000 1.090 540 Q CA -1.202 54.595 55.803 -0.010 0.000 0.809 540 Q CB 2.577 31.318 28.738 0.006 0.000 1.362 540 Q HN 0.117 nan 8.270 nan 0.000 0.431 541 K N 0.068 120.467 120.400 -0.002 0.000 2.494 541 K HA 0.451 4.763 4.320 -0.014 0.000 0.273 541 K C -0.713 175.881 176.600 -0.010 0.000 0.970 541 K CA -0.034 56.246 56.287 -0.012 0.000 0.963 541 K CB 0.264 32.759 32.500 -0.008 0.000 0.913 541 K HN 0.511 nan 8.250 nan 0.000 0.502 542 A N 1.680 124.468 122.820 -0.052 0.000 2.574 542 A HA 0.324 4.636 4.320 -0.014 0.000 0.297 542 A C -1.758 175.750 177.584 -0.126 0.000 1.062 542 A CA -1.028 50.961 52.037 -0.080 0.000 0.686 542 A CB 1.655 20.538 19.000 -0.195 0.000 1.285 542 A HN 0.718 nan 8.150 nan 0.000 0.403 543 D N 2.042 122.394 120.400 -0.079 0.000 2.473 543 D HA 0.436 5.068 4.640 -0.014 0.000 0.226 543 D C -0.623 175.631 176.300 -0.078 0.000 1.089 543 D CA 0.334 54.296 54.000 -0.063 0.000 0.883 543 D CB 0.793 41.586 40.800 -0.012 0.000 1.029 543 D HN 0.428 nan 8.370 nan 0.000 0.517 544 I N 3.723 124.204 120.570 -0.149 0.000 2.297 544 I HA 0.221 4.383 4.170 -0.014 0.000 0.291 544 I C -2.168 173.948 176.117 -0.001 0.000 1.033 544 I CA -1.982 59.242 61.300 -0.127 0.000 1.253 544 I CB 1.255 39.087 38.000 -0.279 0.000 1.396 544 I HN -0.096 nan 8.210 nan 0.000 0.476 545 P HA 0.106 nan 4.420 nan 0.000 0.267 545 P C -0.450 176.895 177.300 0.074 0.000 1.205 545 P CA -0.028 63.106 63.100 0.057 0.000 0.765 545 P CB 0.376 32.118 31.700 0.070 0.000 0.828 546 I N 1.436 122.044 120.570 0.063 0.000 2.371 546 I HA 0.496 4.658 4.170 -0.014 0.000 0.282 546 I C -2.670 173.485 176.117 0.064 0.000 1.031 546 I CA -3.090 58.257 61.300 0.079 0.000 1.180 546 I CB 1.450 39.506 38.000 0.094 0.000 1.336 546 I HN 0.059 nan 8.210 nan 0.000 0.467 547 P HA 0.461 nan 4.420 nan 0.000 0.271 547 P C -0.993 176.347 177.300 0.066 0.000 1.226 547 P CA -0.071 63.071 63.100 0.069 0.000 0.765 547 P CB 0.909 32.661 31.700 0.088 0.000 0.835 548 L N 2.893 124.146 121.223 0.051 0.000 2.765 548 L HA 0.201 4.533 4.340 -0.014 0.000 0.254 548 L C -1.269 175.625 176.870 0.040 0.000 0.939 548 L CA -0.379 54.494 54.840 0.055 0.000 0.949 548 L CB 1.852 43.944 42.059 0.056 0.000 1.521 548 L HN 0.158 nan 8.230 nan 0.000 0.434 549 D N 3.194 123.617 120.400 0.039 0.000 2.359 549 D HA 0.261 4.893 4.640 -0.014 0.000 0.273 549 D C 1.072 177.384 176.300 0.020 0.000 1.362 549 D CA 0.799 54.808 54.000 0.014 0.000 1.010 549 D CB 1.327 42.114 40.800 -0.022 0.000 1.090 549 D HN 0.660 nan 8.370 nan 0.000 0.521 550 A N 3.755 126.579 122.820 0.007 0.000 2.186 550 A HA -0.173 4.139 4.320 -0.014 0.000 0.219 550 A C 1.249 178.833 177.584 -0.001 0.000 1.159 550 A CA 0.658 52.688 52.037 -0.011 0.000 0.680 550 A CB 0.004 18.988 19.000 -0.027 0.000 0.787 550 A HN 0.212 nan 8.150 nan 0.000 0.467 551 R N -0.055 120.456 120.500 0.018 0.000 2.387 551 R HA 0.396 4.728 4.340 -0.014 0.000 0.321 551 R C 1.039 177.396 176.300 0.095 0.000 1.174 551 R CA 0.270 56.396 56.100 0.043 0.000 1.002 551 R CB -0.897 29.419 30.300 0.027 0.000 1.028 551 R HN 0.716 nan 8.270 nan 0.000 0.482 552 G N 1.999 110.898 108.800 0.166 0.000 2.212 552 G HA2 -0.263 3.689 3.960 -0.014 0.000 0.255 552 G HA3 -0.263 3.689 3.960 -0.014 0.000 0.255 552 G C -0.183 174.956 174.900 0.399 0.000 1.062 552 G CA 0.173 45.472 45.100 0.330 0.000 0.815 552 G HN 0.512 nan 8.290 nan 0.000 0.497 553 T N -0.025 114.655 114.554 0.210 0.000 2.779 553 T HA 0.579 4.921 4.350 -0.014 0.000 0.280 553 T C -0.695 173.922 174.700 -0.138 0.000 0.987 553 T CA -0.217 61.981 62.100 0.164 0.000 0.966 553 T CB 1.055 69.980 68.868 0.095 0.000 0.933 553 T HN 0.347 nan 8.240 nan 0.000 0.442 554 W N 3.290 124.617 121.300 0.044 0.000 2.785 554 W HA 0.682 5.334 4.660 -0.015 0.000 0.333 554 W C -0.917 175.508 176.519 -0.156 0.000 1.062 554 W CA -0.939 56.395 57.345 -0.019 0.000 1.233 554 W CB 1.084 30.605 29.460 0.102 0.000 1.413 554 W HN 0.366 nan 8.180 nan 0.000 0.489 555 L N 3.172 124.251 121.223 -0.240 0.000 2.342 555 L HA 0.846 5.178 4.340 -0.014 0.000 0.271 555 L C -0.562 176.070 176.870 -0.397 0.000 1.008 555 L CA -1.553 53.044 54.840 -0.404 0.000 0.818 555 L CB 1.474 43.048 42.059 -0.808 0.000 1.296 555 L HN 0.012 nan 8.230 nan 0.000 0.427 556 V N 1.427 121.258 119.914 -0.139 0.000 2.398 556 V HA 0.191 4.303 4.120 -0.014 0.000 0.282 556 V C 0.028 176.172 176.094 0.084 0.000 1.014 556 V CA -0.681 61.602 62.300 -0.029 0.000 0.838 556 V CB 1.340 33.194 31.823 0.053 0.000 1.018 556 V HN 0.763 nan 8.190 nan 0.000 0.432 557 N N 4.549 123.345 118.700 0.161 0.000 2.418 557 N HA 0.062 4.794 4.740 -0.014 0.000 0.277 557 N C 0.944 176.487 175.510 0.054 0.000 1.317 557 N CA 0.176 53.329 53.050 0.172 0.000 0.922 557 N CB 0.920 39.547 38.487 0.235 0.000 1.194 557 N HN 0.709 nan 8.380 nan 0.000 0.485 558 L N 3.107 124.317 121.223 -0.023 0.000 2.549 558 L HA -0.143 4.189 4.340 -0.014 0.000 0.229 558 L C 1.253 178.129 176.870 0.011 0.000 1.158 558 L CA 0.370 55.194 54.840 -0.028 0.000 0.842 558 L CB -0.122 41.843 42.059 -0.156 0.000 0.952 558 L HN 0.485 nan 8.230 nan 0.000 0.452 559 L N -1.047 120.177 121.223 0.002 0.000 2.262 559 L HA -0.010 4.322 4.340 -0.014 0.000 0.197 559 L C 2.685 179.574 176.870 0.032 0.000 1.073 559 L CA 1.726 56.577 54.840 0.019 0.000 0.800 559 L CB -1.185 40.859 42.059 -0.024 0.000 0.987 559 L HN 0.215 nan 8.230 nan 0.000 0.470 560 T N -3.952 110.623 114.554 0.035 0.000 3.009 560 T HA 0.326 4.668 4.350 -0.014 0.000 0.258 560 T C 1.639 176.379 174.700 0.066 0.000 1.063 560 T CA 0.806 62.937 62.100 0.051 0.000 1.139 560 T CB 0.305 69.210 68.868 0.061 0.000 0.890 560 T HN 0.418 nan 8.240 nan 0.000 0.471 561 G N 1.415 110.261 108.800 0.077 0.000 2.279 561 G HA2 -0.273 3.679 3.960 -0.014 0.000 0.223 561 G HA3 -0.273 3.679 3.960 -0.014 0.000 0.223 561 G C 0.025 174.982 174.900 0.095 0.000 1.015 561 G CA 0.303 45.452 45.100 0.082 0.000 0.621 561 G HN 0.969 nan 8.290 nan 0.000 0.506 562 E N 0.784 121.053 120.200 0.115 0.000 2.521 562 E HA 0.288 4.630 4.350 -0.014 0.000 0.270 562 E C 0.433 177.120 176.600 0.144 0.000 1.082 562 E CA 0.538 57.030 56.400 0.152 0.000 0.997 562 E CB 0.285 30.107 29.700 0.203 0.000 0.990 562 E HN 0.656 nan 8.360 nan 0.000 0.458 563 R N 1.572 122.173 120.500 0.169 0.000 2.799 563 R HA 0.611 4.943 4.340 -0.014 0.000 0.270 563 R C -1.487 174.931 176.300 0.197 0.000 1.010 563 R CA -0.370 55.766 56.100 0.061 0.000 0.916 563 R CB 1.033 31.398 30.300 0.110 0.000 1.228 563 R HN 0.533 nan 8.270 nan 0.000 0.469 564 F N -1.305 118.729 119.950 0.140 0.000 2.944 564 F HA 0.706 5.225 4.527 -0.014 0.000 0.324 564 F C -1.889 173.778 175.800 -0.222 0.000 1.151 564 F CA -0.928 57.081 58.000 0.014 0.000 0.883 564 F CB 0.388 39.356 39.000 -0.053 0.000 1.341 564 F HN 0.638 nan 8.300 nan 0.000 0.456 565 A N 0.629 123.336 122.820 -0.189 0.000 2.282 565 A HA 1.001 5.313 4.320 -0.014 0.000 0.324 565 A C -0.948 176.479 177.584 -0.262 0.000 1.119 565 A CA -0.547 51.066 52.037 -0.707 0.000 0.880 565 A CB 0.976 19.181 19.000 -1.325 0.000 1.294 565 A HN 1.955 nan 8.150 nan 0.000 0.493 566 A N 0.435 123.052 122.820 -0.340 0.000 2.331 566 A HA 0.730 5.042 4.320 -0.014 0.000 0.320 566 A C -0.553 176.946 177.584 -0.142 0.000 1.138 566 A CA -0.532 51.408 52.037 -0.161 0.000 0.790 566 A CB 0.627 19.558 19.000 -0.115 0.000 1.206 566 A HN 0.801 nan 8.150 nan 0.000 0.470 567 E N 1.216 121.361 120.200 -0.091 0.000 2.450 567 E HA 0.735 5.077 4.350 -0.014 0.000 0.248 567 E C 1.155 177.733 176.600 -0.037 0.000 0.930 567 E CA -0.207 56.155 56.400 -0.063 0.000 0.854 567 E CB 0.045 29.710 29.700 -0.059 0.000 1.355 567 E HN 0.607 nan 8.360 nan 0.000 0.402 568 A N -0.066 122.740 122.820 -0.024 0.000 1.881 568 A HA -0.236 4.076 4.320 -0.014 0.000 0.219 568 A C 0.506 178.082 177.584 -0.013 0.000 1.215 568 A CA 1.941 53.969 52.037 -0.013 0.000 0.648 568 A CB -0.968 18.027 19.000 -0.009 0.000 0.832 568 A HN 0.528 nan 8.150 nan 0.000 0.455 569 E N 1.346 121.534 120.200 -0.019 0.000 1.893 569 E HA 0.339 4.681 4.350 -0.014 0.000 0.269 569 E C 0.143 176.728 176.600 -0.025 0.000 1.129 569 E CA 0.412 56.802 56.400 -0.018 0.000 0.904 569 E CB -0.073 29.615 29.700 -0.021 0.000 1.077 569 E HN 0.486 nan 8.360 nan 0.000 0.407 570 T N 1.386 115.931 114.554 -0.015 0.000 2.849 570 T HA -0.046 4.296 4.350 -0.014 0.000 0.289 570 T C 0.724 175.410 174.700 -0.023 0.000 1.010 570 T CA -0.802 61.289 62.100 -0.015 0.000 1.161 570 T CB 0.229 69.100 68.868 0.005 0.000 0.989 570 T HN 0.150 nan 8.240 nan 0.000 0.523 571 L N 2.216 123.413 121.223 -0.043 0.000 2.517 571 L HA 0.077 4.409 4.340 -0.014 0.000 0.294 571 L C 1.090 177.939 176.870 -0.036 0.000 1.264 571 L CA 0.017 54.815 54.840 -0.069 0.000 0.839 571 L CB -0.302 41.686 42.059 -0.118 0.000 1.098 571 L HN 1.052 nan 8.230 nan 0.000 0.525 572 C N 2.527 121.800 119.300 -0.046 0.000 2.322 572 C HA 0.507 4.959 4.460 -0.014 0.000 0.324 572 C C 0.563 175.542 174.990 -0.018 0.000 1.249 572 C CA -0.435 58.572 59.018 -0.018 0.000 1.453 572 C CB 0.489 28.217 27.740 -0.019 0.000 2.145 572 C HN 0.878 nan 8.230 nan 0.000 0.466 573 T N 4.750 119.317 114.554 0.022 0.000 2.869 573 T HA 0.359 4.701 4.350 -0.014 0.000 0.295 573 T C 0.111 174.798 174.700 -0.021 0.000 0.987 573 T CA 0.222 62.348 62.100 0.043 0.000 1.109 573 T CB 0.829 69.784 68.868 0.144 0.000 0.932 573 T HN 0.775 nan 8.240 nan 0.000 0.518 574 S N 3.347 119.030 115.700 -0.029 0.000 2.437 574 S HA 0.641 5.103 4.470 -0.014 0.000 0.305 574 S C -0.530 174.032 174.600 -0.063 0.000 1.109 574 S CA -0.803 57.365 58.200 -0.054 0.000 1.099 574 S CB 0.465 63.638 63.200 -0.044 0.000 1.004 574 S HN 0.449 nan 8.310 nan 0.000 0.475 575 L N 4.249 125.422 121.223 -0.084 0.000 2.388 575 L HA 0.629 4.961 4.340 -0.014 0.000 0.264 575 L C -2.334 174.499 176.870 -0.062 0.000 0.998 575 L CA -2.400 52.391 54.840 -0.082 0.000 0.817 575 L CB 2.407 44.412 42.059 -0.090 0.000 1.338 575 L HN 0.384 nan 8.230 nan 0.000 0.414 576 P HA 0.306 nan 4.420 nan 0.000 0.282 576 P C -2.768 174.535 177.300 0.005 0.000 1.287 576 P CA -2.070 61.021 63.100 -0.015 0.000 0.792 576 P CB -0.156 31.539 31.700 -0.007 0.000 1.163 577 P HA -0.004 nan 4.420 nan 0.000 0.263 577 P C -0.653 176.738 177.300 0.151 0.000 1.195 577 P CA 0.899 64.017 63.100 0.030 0.000 0.762 577 P CB -0.636 31.121 31.700 0.095 0.000 0.799 578 Y N -0.108 120.229 120.300 0.061 0.000 4.272 578 Y HA -0.212 4.330 4.550 -0.013 0.000 0.232 578 Y C 1.365 177.357 175.900 0.152 0.000 1.149 578 Y CA 1.102 59.258 58.100 0.093 0.000 1.961 578 Y CB -2.135 36.362 38.460 0.063 0.000 1.611 578 Y HN 0.469 nan 8.280 nan 0.000 0.682 579 G N -0.224 108.684 108.800 0.181 0.000 2.537 579 G HA2 0.557 4.508 3.960 -0.014 0.000 0.273 579 G HA3 0.557 4.508 3.960 -0.014 0.000 0.273 579 G C -0.447 174.588 174.900 0.223 0.000 1.189 579 G CA 0.066 45.238 45.100 0.121 0.000 0.881 579 G HN 0.390 nan 8.290 nan 0.000 0.535 580 F N -1.814 118.147 119.950 0.019 0.000 2.869 580 F HA 0.835 5.354 4.527 -0.014 0.000 0.325 580 F C -0.971 174.794 175.800 -0.059 0.000 1.184 580 F CA -1.682 56.325 58.000 0.012 0.000 0.951 580 F CB 1.756 40.792 39.000 0.060 0.000 1.421 580 F HN 0.739 nan 8.300 nan 0.000 0.501 581 V N 1.244 121.183 119.914 0.042 0.000 2.963 581 V HA 0.529 4.641 4.120 -0.014 0.000 0.272 581 V C -2.272 173.663 176.094 -0.265 0.000 1.559 581 V CA -0.657 61.497 62.300 -0.243 0.000 0.959 581 V CB 1.967 33.521 31.823 -0.448 0.000 1.202 581 V HN 0.847 nan 8.190 nan 0.000 0.447 582 L N 7.341 128.388 121.223 -0.293 0.000 2.319 582 L HA 0.640 4.972 4.340 -0.014 0.000 0.281 582 L C -0.784 175.902 176.870 -0.306 0.000 1.005 582 L CA -0.038 54.650 54.840 -0.253 0.000 0.828 582 L CB 1.501 43.480 42.059 -0.134 0.000 1.227 582 L HN 0.590 nan 8.230 nan 0.000 0.415 583 Y N 1.324 121.566 120.300 -0.096 0.000 2.409 583 Y HA 0.737 5.279 4.550 -0.013 0.000 0.339 583 Y C 0.371 176.181 175.900 -0.151 0.000 1.033 583 Y CA -1.225 56.808 58.100 -0.112 0.000 1.094 583 Y CB 2.030 40.443 38.460 -0.079 0.000 1.210 583 Y HN 0.624 nan 8.280 nan 0.000 0.456 584 A N 4.652 127.491 122.820 0.032 0.000 2.252 584 A HA 0.569 4.881 4.320 -0.014 0.000 0.309 584 A C -0.833 176.736 177.584 -0.025 0.000 1.285 584 A CA -0.576 51.446 52.037 -0.026 0.000 0.900 584 A CB -0.022 18.992 19.000 0.024 0.000 1.157 584 A HN 0.539 nan 8.150 nan 0.000 0.536 585 I N 2.259 122.788 120.570 -0.068 0.000 2.342 585 I HA 0.309 4.471 4.170 -0.014 0.000 0.291 585 I C 0.292 176.275 176.117 -0.223 0.000 1.010 585 I CA -0.069 61.147 61.300 -0.140 0.000 1.308 585 I CB 0.591 38.481 38.000 -0.183 0.000 1.400 585 I HN 0.674 nan 8.210 nan 0.000 0.488 586 E N 5.353 125.458 120.200 -0.158 0.000 2.210 586 E HA 0.404 4.745 4.350 -0.014 0.000 0.266 586 E C -1.103 175.390 176.600 -0.179 0.000 0.883 586 E CA -0.620 55.657 56.400 -0.206 0.000 0.761 586 E CB 1.818 31.542 29.700 0.040 0.000 1.156 586 E HN 0.526 nan 8.360 nan 0.000 0.412 587 H N 2.046 120.945 119.070 -0.286 0.000 2.623 587 H HA 0.238 4.787 4.556 -0.012 0.000 0.299 587 H C -0.909 174.179 175.328 -0.400 0.000 1.052 587 H CA -0.652 55.276 56.048 -0.199 0.000 1.231 587 H CB 0.863 30.534 29.762 -0.152 0.000 1.389 587 H HN 0.405 nan 8.280 nan 0.000 0.469 588 W N 0.000 121.453 121.300 0.256 0.000 2.388 588 W HA 0.000 4.652 4.660 -0.014 0.000 0.303 588 W CA 0.000 57.430 57.345 0.142 0.000 1.226 588 W CB 0.000 29.503 29.460 0.071 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535