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 1kv9_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGVDEAAIRA TEQAGGEWLS HGRTYAEQRF SPLKQIDASN VRSLGLAWYM DATA SEQUENCE DLDNTRGLEA TPLFHDGVIY TSMSWSRVIA VDAASGKELW RYDPEVAKVK DATA SEQUENCE ARTSCCDAVN RGVALWGDKV YVGTLDGRLI ALDAKTGKAI WSQQTTDPAK DATA SEQUENCE PYSITGAPRV VKGKVIIGNG GAEYGVRGFV SAYDADTGKL AWRFYTVPGD DATA SEQUENCE PALPYEHPEL REAAKTWQGD QYWKLGGGGT VWDSMAYDPE LDLLYVGTGN DATA SEQUENCE GSPWNREVRS PGGGDNLYLS SILAIRPDTG KLAWHYQVTP GDSWDFTATQ DATA SEQUENCE QITLAELNID GKPRKVLMQA PKNGFFYVLD RTNGKLISAE KFGKVTWAEK DATA SEQUENCE VDLATGRPVE APGVRYEKEP IVMWPSPFGA HNWHSMSFNP GTGLVYIPYQ DATA SEQUENCE EVPGVYRNEG KDFVTRKAFN TAAGFADATD VPAAVVSGAL LAWDPVKQKA DATA SEQUENCE AWKVPYPTHW NGGTLSTAGN LVFQGTAAGQ MHAYSADKGE ALWQFEAQSG DATA SEQUENCE IVAAPMTFEL AGRQYVAIMA GWGGVATLTG GESMNLPGMK NRSRLLVFAL DATA SEQUENCE DGKAQLPPPA PAPAKVERVP QPVTAAPEQV QAGKQLYGQF CSVCHGMGTI DATA SEQUENCE SGGLIPDLRQ SSDATREHFQ QIVLQGALKP LGMPSFDDSL KPEEVEQIKL DATA SEQUENCE YVMSREYEDY MARH 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.550 177.584 -0.056 0.000 1.274 1 A CA 0.000 52.009 52.037 -0.046 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 2 G N -0.802 107.940 108.800 -0.096 0.000 1.812 2 G HA2 0.321 4.325 3.960 0.073 0.000 0.053 2 G HA3 0.321 4.325 3.960 0.073 0.000 0.053 2 G C -0.538 174.235 174.900 -0.212 0.000 0.844 2 G CA 0.226 45.281 45.100 -0.076 0.000 1.151 2 G HN 1.283 nan 8.290 nan 0.000 0.362 3 V N 3.671 123.377 119.914 -0.347 0.000 2.470 3 V HA 0.530 4.694 4.120 0.073 0.000 0.276 3 V C -0.097 175.527 176.094 -0.784 0.000 1.040 3 V CA 0.770 62.794 62.300 -0.459 0.000 1.008 3 V CB 0.536 32.120 31.823 -0.397 0.000 0.990 3 V HN 0.882 nan 8.190 nan 0.000 0.477 4 D N 2.033 122.026 120.400 -0.678 0.000 2.732 4 D HA 0.211 4.894 4.640 0.073 0.000 0.292 4 D C 0.784 176.912 176.300 -0.287 0.000 1.135 4 D CA -0.782 52.644 54.000 -0.957 0.000 1.071 4 D CB 1.074 41.557 40.800 -0.527 0.000 1.457 4 D HN 0.309 nan 8.370 nan 0.000 0.547 5 E N -0.289 119.974 120.200 0.105 0.000 2.058 5 E HA -0.229 4.164 4.350 0.073 0.000 0.194 5 E C 1.940 178.687 176.600 0.244 0.000 0.997 5 E CA 1.681 58.331 56.400 0.417 0.000 0.801 5 E CB -0.320 29.662 29.700 0.470 0.000 0.746 5 E HN 0.492 nan 8.360 nan 0.000 0.450 6 A N 1.106 124.003 122.820 0.129 0.000 1.908 6 A HA -0.182 4.182 4.320 0.073 0.000 0.218 6 A C 2.400 180.023 177.584 0.064 0.000 1.181 6 A CA 2.084 54.177 52.037 0.093 0.000 0.627 6 A CB -0.894 18.139 19.000 0.056 0.000 0.818 6 A HN 0.442 nan 8.150 nan 0.000 0.445 7 A N -0.162 122.665 122.820 0.012 0.000 1.902 7 A HA -0.067 4.296 4.320 0.073 0.000 0.217 7 A C 2.120 179.708 177.584 0.006 0.000 1.181 7 A CA 1.536 53.571 52.037 -0.004 0.000 0.623 7 A CB -0.580 18.378 19.000 -0.070 0.000 0.818 7 A HN 0.512 nan 8.150 nan 0.000 0.443 8 I N -1.032 119.536 120.570 -0.004 0.000 2.315 8 I HA -0.224 3.990 4.170 0.073 0.000 0.248 8 I C 2.704 178.812 176.117 -0.016 0.000 1.117 8 I CA 1.121 62.377 61.300 -0.073 0.000 1.404 8 I CB -0.336 37.510 38.000 -0.257 0.000 1.071 8 I HN 0.288 nan 8.210 nan 0.000 0.419 9 R N 0.881 121.442 120.500 0.102 0.000 2.090 9 R HA -0.038 4.346 4.340 0.073 0.000 0.228 9 R C 2.454 178.808 176.300 0.090 0.000 1.110 9 R CA 1.236 57.418 56.100 0.137 0.000 0.973 9 R CB -0.392 30.017 30.300 0.182 0.000 0.869 9 R HN 0.316 nan 8.270 nan 0.000 0.440 10 A N 1.158 124.023 122.820 0.076 0.000 2.019 10 A HA -0.164 4.200 4.320 0.073 0.000 0.219 10 A C 2.182 179.807 177.584 0.067 0.000 1.164 10 A CA 1.913 53.992 52.037 0.070 0.000 0.644 10 A CB -0.867 18.172 19.000 0.065 0.000 0.805 10 A HN 0.490 nan 8.150 nan 0.000 0.449 11 T N -2.347 112.240 114.554 0.056 0.000 3.051 11 T HA -0.078 4.316 4.350 0.073 0.000 0.269 11 T C 1.314 176.044 174.700 0.049 0.000 1.127 11 T CA 1.366 63.498 62.100 0.054 0.000 1.107 11 T CB -0.355 68.531 68.868 0.031 0.000 0.898 11 T HN 0.629 nan 8.240 nan 0.000 0.517 12 E N 0.746 120.984 120.200 0.062 0.000 2.153 12 E HA -0.140 4.253 4.350 0.073 0.000 0.194 12 E C 2.238 178.901 176.600 0.105 0.000 0.988 12 E CA 1.225 57.677 56.400 0.088 0.000 0.811 12 E CB -0.015 29.744 29.700 0.098 0.000 0.746 12 E HN 0.538 nan 8.360 nan 0.000 0.466 13 Q N -0.891 118.962 119.800 0.089 0.000 2.423 13 Q HA 0.248 4.632 4.340 0.073 0.000 0.231 13 Q C -0.207 175.838 176.000 0.075 0.000 0.894 13 Q CA 0.428 56.284 55.803 0.088 0.000 0.938 13 Q CB 0.995 29.781 28.738 0.079 0.000 1.079 13 Q HN 0.090 nan 8.270 nan 0.000 0.552 14 A N 0.303 123.167 122.820 0.073 0.000 2.269 14 A HA 0.599 4.962 4.320 0.073 0.000 0.302 14 A C 1.011 178.644 177.584 0.081 0.000 1.266 14 A CA 0.003 52.086 52.037 0.077 0.000 0.894 14 A CB 0.437 19.488 19.000 0.086 0.000 1.147 14 A HN 0.339 nan 8.150 nan 0.000 0.537 15 G N 1.877 110.718 108.800 0.068 0.000 2.880 15 G HA2 0.212 4.215 3.960 0.073 0.000 0.209 15 G HA3 0.212 4.215 3.960 0.073 0.000 0.209 15 G C 1.173 176.157 174.900 0.140 0.000 1.157 15 G CA 0.873 46.014 45.100 0.068 0.000 0.779 15 G HN 0.967 nan 8.290 nan 0.000 0.539 16 G N 0.437 109.337 108.800 0.166 0.000 2.469 16 G HA2 -0.068 3.935 3.960 0.073 0.000 0.219 16 G HA3 -0.068 3.935 3.960 0.073 0.000 0.219 16 G C 0.746 175.892 174.900 0.409 0.000 1.150 16 G CA 0.502 45.750 45.100 0.246 0.000 0.763 16 G HN 0.508 nan 8.290 nan 0.000 0.561 17 E N -2.059 118.385 120.200 0.407 0.000 2.264 17 E HA 0.399 4.793 4.350 0.073 0.000 0.260 17 E C -1.344 175.557 176.600 0.500 0.000 0.961 17 E CA -1.010 55.722 56.400 0.553 0.000 0.834 17 E CB 1.890 31.848 29.700 0.431 0.000 1.230 17 E HN 0.188 nan 8.360 nan 0.000 0.412 18 W N 3.376 124.866 121.300 0.316 0.000 2.538 18 W HA 0.280 4.971 4.660 0.052 0.000 0.291 18 W C -1.142 175.486 176.519 0.181 0.000 1.020 18 W CA -0.387 57.091 57.345 0.221 0.000 1.375 18 W CB 0.277 29.883 29.460 0.243 0.000 1.247 18 W HN 0.558 nan 8.180 nan 0.000 0.377 19 L N 3.437 124.801 121.223 0.234 0.000 2.585 19 L HA 0.153 4.536 4.340 0.073 0.000 0.226 19 L C 1.006 177.955 176.870 0.131 0.000 1.113 19 L CA 0.521 55.452 54.840 0.151 0.000 0.876 19 L CB 0.082 42.147 42.059 0.010 0.000 1.072 19 L HN 0.152 nan 8.230 nan 0.000 0.468 20 S N -2.302 113.466 115.700 0.114 0.000 2.595 20 S HA 0.286 4.800 4.470 0.073 0.000 0.281 20 S C 0.661 175.441 174.600 0.300 0.000 1.117 20 S CA -0.587 57.700 58.200 0.144 0.000 0.873 20 S CB 1.286 64.470 63.200 -0.026 0.000 1.108 20 S HN 0.252 nan 8.310 nan 0.000 0.477 21 H N 2.956 122.182 119.070 0.260 0.000 2.260 21 H HA -0.110 4.455 4.556 0.015 0.000 0.288 21 H C 1.659 177.244 175.328 0.428 0.000 1.094 21 H CA 2.804 59.062 56.048 0.350 0.000 1.197 21 H CB -0.514 29.396 29.762 0.247 0.000 1.346 21 H HN 0.588 nan 8.280 nan 0.000 0.486 22 G N -1.348 107.579 108.800 0.211 0.000 3.496 22 G HA2 0.187 4.191 3.960 0.073 0.000 0.273 22 G HA3 0.187 4.191 3.960 0.073 0.000 0.273 22 G C 0.840 175.621 174.900 -0.198 0.000 1.279 22 G CA 0.407 45.560 45.100 0.088 0.000 1.041 22 G HN 0.646 nan 8.290 nan 0.000 0.539 23 R N -1.370 118.786 120.500 -0.573 0.000 1.254 23 R HA -0.257 4.126 4.340 0.073 0.000 0.021 23 R C 1.083 177.078 176.300 -0.508 0.000 0.960 23 R CA 2.352 57.693 56.100 -1.266 0.000 1.975 23 R CB -1.980 27.310 30.300 -1.683 0.000 0.151 23 R HN 0.571 nan 8.270 nan 0.000 0.730 24 T N -2.684 111.700 114.554 -0.284 0.000 2.936 24 T HA 0.435 4.829 4.350 0.073 0.000 0.282 24 T C 0.841 175.557 174.700 0.026 0.000 1.003 24 T CA -0.154 61.877 62.100 -0.115 0.000 1.005 24 T CB 0.815 69.678 68.868 -0.008 0.000 1.097 24 T HN 0.285 nan 8.240 nan 0.000 0.532 25 Y N 0.414 120.777 120.300 0.105 0.000 2.403 25 Y HA 0.122 4.712 4.550 0.066 0.000 0.291 25 Y C 2.782 178.765 175.900 0.139 0.000 1.143 25 Y CA 0.940 59.142 58.100 0.170 0.000 1.257 25 Y CB -0.996 37.607 38.460 0.239 0.000 0.984 25 Y HN 0.845 nan 8.280 nan 0.000 0.550 26 A N -0.315 122.652 122.820 0.245 0.000 2.167 26 A HA -0.036 4.327 4.320 0.073 0.000 0.214 26 A C 0.859 178.525 177.584 0.137 0.000 1.151 26 A CA 0.607 52.738 52.037 0.158 0.000 0.735 26 A CB -0.359 18.713 19.000 0.120 0.000 0.802 26 A HN 0.431 nan 8.150 nan 0.000 0.467 27 E N -0.742 119.544 120.200 0.144 0.000 2.297 27 E HA -0.269 4.125 4.350 0.073 0.000 0.228 27 E C 0.281 176.968 176.600 0.145 0.000 1.213 27 E CA 0.898 57.377 56.400 0.132 0.000 0.712 27 E CB -1.870 27.928 29.700 0.163 0.000 1.202 27 E HN 0.895 nan 8.360 nan 0.000 0.376 28 Q N -0.297 119.600 119.800 0.162 0.000 2.398 28 Q HA 0.090 4.473 4.340 0.073 0.000 0.204 28 Q C 0.376 176.542 176.000 0.276 0.000 0.932 28 Q CA 0.033 55.997 55.803 0.268 0.000 0.916 28 Q CB 0.273 29.227 28.738 0.359 0.000 1.024 28 Q HN 0.254 nan 8.270 nan 0.000 0.504 29 R N 0.287 120.873 120.500 0.144 0.000 3.333 29 R HA -0.194 4.189 4.340 0.073 0.000 0.256 29 R C -1.111 175.349 176.300 0.266 0.000 1.010 29 R CA 0.292 56.474 56.100 0.137 0.000 0.680 29 R CB -1.909 28.577 30.300 0.311 0.000 1.102 29 R HN 0.164 nan 8.270 nan 0.000 0.440 30 F N 0.098 120.073 119.950 0.042 0.000 2.477 30 F HA 0.462 5.029 4.527 0.067 0.000 0.335 30 F C -0.260 175.570 175.800 0.050 0.000 1.130 30 F CA -0.864 57.183 58.000 0.079 0.000 0.948 30 F CB 1.790 40.829 39.000 0.064 0.000 1.154 30 F HN -0.054 nan 8.300 nan 0.000 0.439 31 S N 7.149 122.471 115.700 -0.631 0.000 2.442 31 S HA 0.470 4.984 4.470 0.073 0.000 0.297 31 S C -2.073 172.046 174.600 -0.802 0.000 1.131 31 S CA -1.629 56.281 58.200 -0.484 0.000 1.092 31 S CB 1.501 64.644 63.200 -0.095 0.000 0.998 31 S HN 0.531 nan 8.310 nan 0.000 0.478 32 P HA 0.062 nan 4.420 nan 0.000 0.226 32 P C -0.150 177.059 177.300 -0.151 0.000 1.153 32 P CA 0.439 63.378 63.100 -0.269 0.000 0.777 32 P CB 0.007 31.679 31.700 -0.046 0.000 0.794 33 L N 0.952 122.093 121.223 -0.136 0.000 2.525 33 L HA -0.030 4.354 4.340 0.073 0.000 0.278 33 L C 1.305 178.128 176.870 -0.078 0.000 1.218 33 L CA 0.779 55.572 54.840 -0.079 0.000 0.878 33 L CB 0.082 42.099 42.059 -0.069 0.000 1.127 33 L HN 0.109 nan 8.230 nan 0.000 0.492 34 K N 2.399 122.768 120.400 -0.051 0.000 2.761 34 K HA 0.090 4.453 4.320 0.073 0.000 0.196 34 K C 0.704 177.277 176.600 -0.045 0.000 1.134 34 K CA -0.343 55.922 56.287 -0.036 0.000 1.082 34 K CB 0.389 32.882 32.500 -0.012 0.000 0.768 34 K HN 0.551 nan 8.250 nan 0.000 0.475 35 Q N 1.160 120.919 119.800 -0.069 0.000 2.119 35 Q HA 0.061 4.445 4.340 0.073 0.000 0.201 35 Q C 0.115 176.060 176.000 -0.091 0.000 0.972 35 Q CA 0.873 56.626 55.803 -0.083 0.000 0.847 35 Q CB 0.170 28.839 28.738 -0.116 0.000 0.903 35 Q HN 0.500 nan 8.270 nan 0.000 0.433 36 I N 2.620 123.134 120.570 -0.094 0.000 2.304 36 I HA 0.191 4.405 4.170 0.073 0.000 0.291 36 I C -0.826 175.269 176.117 -0.037 0.000 1.018 36 I CA -0.811 60.438 61.300 -0.084 0.000 1.260 36 I CB 0.976 38.922 38.000 -0.089 0.000 1.390 36 I HN 0.199 nan 8.210 nan 0.000 0.475 37 D N 4.624 124.994 120.400 -0.049 0.000 2.636 37 D HA 0.463 5.147 4.640 0.073 0.000 0.275 37 D C 0.625 176.889 176.300 -0.060 0.000 1.130 37 D CA -0.748 53.228 54.000 -0.038 0.000 1.031 37 D CB 1.140 41.923 40.800 -0.027 0.000 1.451 37 D HN 0.327 nan 8.370 nan 0.000 0.505 38 A N -0.242 122.545 122.820 -0.055 0.000 2.076 38 A HA -0.086 4.278 4.320 0.073 0.000 0.220 38 A C 1.900 179.452 177.584 -0.053 0.000 1.160 38 A CA 2.201 54.199 52.037 -0.065 0.000 0.653 38 A CB -1.084 17.884 19.000 -0.053 0.000 0.801 38 A HN 0.608 nan 8.150 nan 0.000 0.455 39 S N 0.160 115.833 115.700 -0.044 0.000 2.470 39 S HA -0.086 4.428 4.470 0.073 0.000 0.225 39 S C 1.123 175.698 174.600 -0.042 0.000 1.006 39 S CA 0.809 58.986 58.200 -0.038 0.000 0.934 39 S CB -0.589 62.593 63.200 -0.030 0.000 0.778 39 S HN 0.905 nan 8.310 nan 0.000 0.517 40 N N -0.228 118.439 118.700 -0.055 0.000 2.143 40 N HA 0.135 4.918 4.740 0.073 0.000 0.222 40 N C 1.100 176.553 175.510 -0.094 0.000 1.264 40 N CA 0.150 53.162 53.050 -0.064 0.000 0.897 40 N CB 0.585 39.033 38.487 -0.066 0.000 1.092 40 N HN 0.168 nan 8.380 nan 0.000 0.516 41 V N 2.918 122.767 119.914 -0.108 0.000 2.867 41 V HA -0.189 3.974 4.120 0.073 0.000 0.260 41 V C 2.480 178.471 176.094 -0.172 0.000 1.099 41 V CA 1.591 63.783 62.300 -0.180 0.000 1.122 41 V CB -0.706 31.012 31.823 -0.175 0.000 0.708 41 V HN 0.434 nan 8.190 nan 0.000 0.490 42 R N -0.468 120.005 120.500 -0.045 0.000 2.193 42 R HA -0.032 4.351 4.340 0.073 0.000 0.229 42 R C 1.840 178.168 176.300 0.046 0.000 1.110 42 R CA 1.651 57.786 56.100 0.058 0.000 0.988 42 R CB -0.700 29.628 30.300 0.045 0.000 0.871 42 R HN 0.468 nan 8.270 nan 0.000 0.458 43 S N 0.683 116.355 115.700 -0.047 0.000 2.575 43 S HA 0.120 4.634 4.470 0.073 0.000 0.215 43 S C 0.266 174.801 174.600 -0.108 0.000 0.966 43 S CA -0.543 57.632 58.200 -0.042 0.000 0.911 43 S CB -0.012 63.157 63.200 -0.051 0.000 0.780 43 S HN 0.166 nan 8.310 nan 0.000 0.514 44 L N 2.389 123.436 121.223 -0.294 0.000 2.453 44 L HA 0.512 4.896 4.340 0.073 0.000 0.272 44 L C 0.453 177.216 176.870 -0.179 0.000 1.182 44 L CA 0.626 55.173 54.840 -0.487 0.000 0.858 44 L CB 0.107 41.444 42.059 -1.202 0.000 1.120 44 L HN 0.141 nan 8.230 nan 0.000 0.474 45 G N 3.891 112.669 108.800 -0.036 0.000 2.708 45 G HA2 0.460 4.464 3.960 0.073 0.000 0.289 45 G HA3 0.460 4.464 3.960 0.073 0.000 0.289 45 G C -1.847 173.158 174.900 0.175 0.000 1.416 45 G CA -0.983 44.228 45.100 0.186 0.000 0.829 45 G HN 0.662 nan 8.290 nan 0.000 0.480 46 L N 1.390 122.665 121.223 0.085 0.000 2.418 46 L HA 0.567 4.951 4.340 0.073 0.000 0.274 46 L C 1.413 178.236 176.870 -0.079 0.000 1.135 46 L CA 0.638 55.325 54.840 -0.254 0.000 0.870 46 L CB 0.844 42.731 42.059 -0.288 0.000 1.154 46 L HN 0.706 nan 8.230 nan 0.000 0.462 47 A N 6.533 129.285 122.820 -0.113 0.000 1.871 47 A HA 0.233 4.597 4.320 0.073 0.000 0.211 47 A C 0.209 177.956 177.584 0.272 0.000 1.207 47 A CA 1.042 53.155 52.037 0.127 0.000 0.620 47 A CB -0.092 19.082 19.000 0.289 0.000 0.860 47 A HN 0.843 nan 8.150 nan 0.000 0.450 48 W N -2.567 118.710 121.300 -0.038 0.000 2.989 48 W HA 0.558 5.264 4.660 0.076 0.000 0.344 48 W C -1.787 174.746 176.519 0.024 0.000 1.233 48 W CA -1.146 56.188 57.345 -0.019 0.000 1.187 48 W CB 0.053 29.462 29.460 -0.085 0.000 1.443 48 W HN 0.446 nan 8.180 nan 0.000 0.573 49 Y N -0.315 120.062 120.300 0.129 0.000 2.638 49 Y HA 0.815 5.408 4.550 0.072 0.000 0.335 49 Y C -1.433 174.554 175.900 0.145 0.000 1.155 49 Y CA -2.116 55.946 58.100 -0.063 0.000 1.046 49 Y CB 1.964 40.364 38.460 -0.100 0.000 1.303 49 Y HN 0.555 nan 8.280 nan 0.000 0.460 50 M N 3.207 122.911 119.600 0.174 0.000 2.204 50 M HA 0.419 4.943 4.480 0.073 0.000 0.293 50 M C -1.960 174.444 176.300 0.174 0.000 0.994 50 M CA -0.555 54.825 55.300 0.133 0.000 0.925 50 M CB 1.349 34.044 32.600 0.157 0.000 1.577 50 M HN 0.834 nan 8.290 nan 0.000 0.439 51 D N 4.978 125.478 120.400 0.167 0.000 2.345 51 D HA 0.433 5.117 4.640 0.073 0.000 0.247 51 D C -0.807 175.561 176.300 0.113 0.000 1.108 51 D CA 0.356 54.456 54.000 0.168 0.000 0.894 51 D CB 1.027 41.923 40.800 0.159 0.000 1.203 51 D HN 0.557 nan 8.370 nan 0.000 0.430 52 L N 2.006 123.295 121.223 0.110 0.000 2.365 52 L HA 0.255 4.639 4.340 0.073 0.000 0.273 52 L C -0.019 176.910 176.870 0.098 0.000 1.000 52 L CA -1.117 53.780 54.840 0.096 0.000 0.819 52 L CB 1.753 43.870 42.059 0.096 0.000 1.284 52 L HN 0.285 nan 8.230 nan 0.000 0.418 53 D N 1.715 122.168 120.400 0.089 0.000 2.498 53 D HA 0.072 4.755 4.640 0.073 0.000 0.229 53 D C -0.611 175.758 176.300 0.116 0.000 1.188 53 D CA 0.093 54.147 54.000 0.091 0.000 1.028 53 D CB 0.112 40.956 40.800 0.073 0.000 1.087 53 D HN 0.453 nan 8.370 nan 0.000 0.510 54 N N 0.256 119.032 118.700 0.127 0.000 2.371 54 N HA 0.272 5.056 4.740 0.073 0.000 0.280 54 N C -0.341 175.259 175.510 0.151 0.000 1.084 54 N CA -0.502 52.640 53.050 0.153 0.000 0.892 54 N CB 1.732 40.301 38.487 0.137 0.000 1.653 54 N HN 0.099 nan 8.380 nan 0.000 0.480 55 T N -1.111 113.547 114.554 0.173 0.000 3.209 55 T HA 0.446 4.839 4.350 0.073 0.000 0.295 55 T C 0.240 175.031 174.700 0.152 0.000 0.977 55 T CA -0.278 61.919 62.100 0.160 0.000 0.922 55 T CB 0.155 69.118 68.868 0.159 0.000 1.152 55 T HN 0.191 nan 8.240 nan 0.000 0.527 56 R N 0.810 121.383 120.500 0.122 0.000 3.006 56 R HA 0.731 5.115 4.340 0.073 0.000 0.235 56 R C 0.618 176.941 176.300 0.037 0.000 1.362 56 R CA -0.684 55.443 56.100 0.045 0.000 1.067 56 R CB -0.072 30.177 30.300 -0.085 0.000 1.396 56 R HN 0.264 nan 8.270 nan 0.000 0.504 57 G N 0.855 109.650 108.800 -0.009 0.000 2.353 57 G HA2 0.242 4.246 3.960 0.073 0.000 0.239 57 G HA3 0.242 4.246 3.960 0.073 0.000 0.239 57 G C -0.324 174.600 174.900 0.041 0.000 1.295 57 G CA -0.220 44.902 45.100 0.038 0.000 0.884 57 G HN 0.244 nan 8.290 nan 0.000 0.537 58 L N 2.458 123.753 121.223 0.121 0.000 2.295 58 L HA 0.324 4.708 4.340 0.073 0.000 0.281 58 L C 0.748 177.723 176.870 0.175 0.000 1.018 58 L CA -0.238 54.675 54.840 0.121 0.000 0.841 58 L CB 1.539 43.685 42.059 0.145 0.000 1.218 58 L HN 0.715 nan 8.230 nan 0.000 0.424 59 E N 2.060 122.322 120.200 0.103 0.000 2.526 59 E HA 0.201 4.595 4.350 0.073 0.000 0.208 59 E C 0.489 177.215 176.600 0.211 0.000 0.997 59 E CA -0.300 56.189 56.400 0.148 0.000 0.961 59 E CB 1.155 30.618 29.700 -0.395 0.000 1.030 59 E HN 0.681 nan 8.360 nan 0.000 0.483 60 A N 1.356 124.275 122.820 0.164 0.000 2.445 60 A HA 0.216 4.580 4.320 0.073 0.000 0.242 60 A C 0.256 177.958 177.584 0.198 0.000 1.075 60 A CA 0.257 52.408 52.037 0.190 0.000 0.777 60 A CB 0.382 19.465 19.000 0.138 0.000 1.013 60 A HN -0.042 nan 8.150 nan 0.000 0.493 61 T N 5.031 119.721 114.554 0.227 0.000 2.743 61 T HA 0.485 4.879 4.350 0.073 0.000 0.292 61 T C -2.526 172.211 174.700 0.061 0.000 0.972 61 T CA -0.682 61.476 62.100 0.098 0.000 0.967 61 T CB 0.954 69.853 68.868 0.050 0.000 0.926 61 T HN 0.444 nan 8.240 nan 0.000 0.459 62 P HA 0.283 nan 4.420 nan 0.000 0.272 62 P C -0.664 176.596 177.300 -0.066 0.000 1.223 62 P CA -0.401 62.681 63.100 -0.030 0.000 0.784 62 P CB 0.626 32.285 31.700 -0.068 0.000 0.923 63 L N 1.957 123.253 121.223 0.122 0.000 2.334 63 L HA 0.603 4.986 4.340 0.073 0.000 0.273 63 L C -0.439 176.599 176.870 0.280 0.000 1.013 63 L CA -0.773 54.230 54.840 0.271 0.000 0.816 63 L CB 1.235 43.508 42.059 0.356 0.000 1.278 63 L HN 0.341 nan 8.230 nan 0.000 0.431 64 F N 1.811 121.861 119.950 0.166 0.000 2.539 64 F HA 0.532 5.100 4.527 0.070 0.000 0.318 64 F C -0.829 175.098 175.800 0.211 0.000 1.135 64 F CA -0.339 57.662 58.000 0.002 0.000 0.915 64 F CB 1.227 40.027 39.000 -0.334 0.000 1.176 64 F HN 0.495 nan 8.300 nan 0.000 0.440 65 H N 4.843 123.496 119.070 -0.696 0.000 3.042 65 H HA 0.272 4.872 4.556 0.073 0.000 0.345 65 H C -0.688 174.307 175.328 -0.554 0.000 1.052 65 H CA -0.676 55.103 56.048 -0.447 0.000 1.311 65 H CB 1.144 30.878 29.762 -0.048 0.000 1.810 65 H HN 0.657 nan 8.280 nan 0.000 0.505 66 D N 3.992 123.815 120.400 -0.961 0.000 2.697 66 D HA -0.154 4.530 4.640 0.073 0.000 0.238 66 D C 1.183 177.179 176.300 -0.507 0.000 1.152 66 D CA 2.582 56.177 54.000 -0.676 0.000 0.666 66 D CB -1.275 39.082 40.800 -0.739 0.000 1.037 66 D HN 1.322 nan 8.370 nan 0.000 0.423 67 G N -1.793 106.649 108.800 -0.597 0.000 2.184 67 G HA2 -0.268 3.736 3.960 0.073 0.000 0.264 67 G HA3 -0.268 3.736 3.960 0.073 0.000 0.264 67 G C 0.377 175.094 174.900 -0.306 0.000 0.975 67 G CA 0.464 45.430 45.100 -0.223 0.000 0.642 67 G HN 0.948 nan 8.290 nan 0.000 0.536 68 V N 1.337 120.877 119.914 -0.622 0.000 2.555 68 V HA 0.638 4.802 4.120 0.073 0.000 0.302 68 V C 0.486 176.197 176.094 -0.637 0.000 1.038 68 V CA -0.885 61.072 62.300 -0.571 0.000 0.887 68 V CB 1.976 33.404 31.823 -0.659 0.000 0.991 68 V HN 0.275 nan 8.190 nan 0.000 0.434 69 I N 4.471 124.745 120.570 -0.494 0.000 2.315 69 I HA 0.391 4.605 4.170 0.073 0.000 0.291 69 I C -1.155 174.666 176.117 -0.493 0.000 1.006 69 I CA -0.374 60.733 61.300 -0.322 0.000 1.265 69 I CB 0.926 38.840 38.000 -0.143 0.000 1.387 69 I HN 0.523 nan 8.210 nan 0.000 0.475 70 Y N 4.518 124.772 120.300 -0.078 0.000 2.328 70 Y HA 0.533 5.126 4.550 0.071 0.000 0.337 70 Y C 0.449 176.333 175.900 -0.027 0.000 0.966 70 Y CA -0.402 57.650 58.100 -0.081 0.000 1.136 70 Y CB 1.940 40.394 38.460 -0.011 0.000 1.170 70 Y HN 0.471 nan 8.280 nan 0.000 0.470 71 T N 1.279 115.878 114.554 0.075 0.000 2.754 71 T HA 0.744 5.138 4.350 0.073 0.000 0.296 71 T C -1.010 173.741 174.700 0.085 0.000 1.205 71 T CA -0.587 61.562 62.100 0.082 0.000 1.009 71 T CB 1.111 70.003 68.868 0.040 0.000 1.368 71 T HN 0.606 nan 8.240 nan 0.000 0.509 72 S N 0.415 116.172 115.700 0.095 0.000 2.667 72 S HA 0.883 5.397 4.470 0.073 0.000 0.292 72 S C -0.834 173.819 174.600 0.089 0.000 1.126 72 S CA -0.910 57.351 58.200 0.102 0.000 0.881 72 S CB 1.715 64.981 63.200 0.111 0.000 1.132 72 S HN 0.757 nan 8.310 nan 0.000 0.492 73 M N 0.773 120.430 119.600 0.094 0.000 2.788 73 M HA 0.491 5.015 4.480 0.073 0.000 0.291 73 M C -0.100 176.241 176.300 0.068 0.000 1.213 73 M CA -0.897 54.456 55.300 0.089 0.000 0.768 73 M CB 1.871 34.536 32.600 0.109 0.000 1.766 73 M HN 0.694 nan 8.290 nan 0.000 0.460 74 S N -0.641 115.086 115.700 0.045 0.000 2.569 74 S HA -0.008 4.506 4.470 0.073 0.000 0.274 74 S C -0.636 173.987 174.600 0.039 0.000 1.353 74 S CA 0.431 58.572 58.200 -0.099 0.000 1.023 74 S CB -0.204 62.890 63.200 -0.177 0.000 0.876 74 S HN 0.759 nan 8.310 nan 0.000 0.540 75 W N 0.161 121.482 121.300 0.034 0.000 3.456 75 W HA -0.289 4.422 4.660 0.085 0.000 0.314 75 W C 0.819 177.359 176.519 0.034 0.000 1.192 75 W CA 0.317 57.679 57.345 0.028 0.000 0.654 75 W CB -2.697 26.775 29.460 0.020 0.000 2.251 75 W HN 0.824 nan 8.180 nan 0.000 1.360 76 S N -2.032 113.758 115.700 0.150 0.000 3.586 76 S HA -0.273 4.241 4.470 0.073 0.000 0.309 76 S C 0.491 175.197 174.600 0.176 0.000 1.195 76 S CA 1.280 59.565 58.200 0.141 0.000 0.895 76 S CB -1.089 62.197 63.200 0.144 0.000 0.983 76 S HN 0.502 nan 8.310 nan 0.000 0.563 77 R N 0.385 120.991 120.500 0.177 0.000 2.441 77 R HA 0.550 4.934 4.340 0.073 0.000 0.284 77 R C -0.039 176.378 176.300 0.193 0.000 1.070 77 R CA -0.317 55.889 56.100 0.176 0.000 1.047 77 R CB 0.799 31.187 30.300 0.147 0.000 1.016 77 R HN 0.144 nan 8.270 nan 0.000 0.477 78 V N 4.843 124.918 119.914 0.269 0.000 2.628 78 V HA 0.554 4.718 4.120 0.073 0.000 0.306 78 V C -0.011 176.201 176.094 0.197 0.000 1.045 78 V CA -0.724 61.734 62.300 0.263 0.000 0.905 78 V CB 1.673 33.731 31.823 0.391 0.000 0.997 78 V HN 0.674 nan 8.190 nan 0.000 0.436 79 I N 1.102 121.656 120.570 -0.026 0.000 2.802 79 I HA 0.984 5.198 4.170 0.073 0.000 0.298 79 I C -0.471 175.300 176.117 -0.578 0.000 1.176 79 I CA -0.963 60.174 61.300 -0.273 0.000 1.025 79 I CB 2.328 40.253 38.000 -0.125 0.000 1.243 79 I HN 0.607 nan 8.210 nan 0.000 0.424 80 A N 5.032 127.224 122.820 -1.047 0.000 2.318 80 A HA 0.829 5.193 4.320 0.073 0.000 0.324 80 A C -0.803 176.391 177.584 -0.650 0.000 1.170 80 A CA -0.630 50.784 52.037 -1.038 0.000 0.810 80 A CB 1.501 19.547 19.000 -1.590 0.000 1.198 80 A HN 0.580 nan 8.150 nan 0.000 0.484 81 V N 2.892 122.520 119.914 -0.478 0.000 2.487 81 V HA 0.254 4.418 4.120 0.073 0.000 0.298 81 V C -0.332 175.601 176.094 -0.267 0.000 1.028 81 V CA -0.807 61.329 62.300 -0.274 0.000 0.860 81 V CB 1.820 33.594 31.823 -0.082 0.000 0.991 81 V HN 0.960 nan 8.190 nan 0.000 0.427 82 D N 3.728 123.980 120.400 -0.246 0.000 2.358 82 D HA 0.207 4.891 4.640 0.073 0.000 0.258 82 D C 1.028 177.182 176.300 -0.243 0.000 1.223 82 D CA 0.296 54.157 54.000 -0.231 0.000 0.886 82 D CB 2.024 42.700 40.800 -0.207 0.000 1.120 82 D HN 0.670 nan 8.370 nan 0.000 0.482 83 A N 3.886 126.621 122.820 -0.141 0.000 2.067 83 A HA -0.016 4.347 4.320 0.073 0.000 0.219 83 A C 1.959 179.387 177.584 -0.259 0.000 1.158 83 A CA 1.559 53.548 52.037 -0.079 0.000 0.661 83 A CB -0.068 19.003 19.000 0.119 0.000 0.801 83 A HN 0.642 nan 8.150 nan 0.000 0.452 84 A N -0.097 122.591 122.820 -0.220 0.000 1.903 84 A HA 0.060 4.424 4.320 0.073 0.000 0.213 84 A C 2.423 179.804 177.584 -0.338 0.000 1.185 84 A CA 1.810 53.715 52.037 -0.219 0.000 0.628 84 A CB -0.607 18.326 19.000 -0.111 0.000 0.830 84 A HN 0.900 nan 8.150 nan 0.000 0.446 85 S N -2.281 113.210 115.700 -0.349 0.000 2.486 85 S HA 0.374 4.888 4.470 0.073 0.000 0.220 85 S C 1.526 175.805 174.600 -0.536 0.000 1.011 85 S CA 1.216 59.203 58.200 -0.356 0.000 0.921 85 S CB -0.061 62.997 63.200 -0.236 0.000 0.785 85 S HN 1.905 nan 8.310 nan 0.000 0.517 86 G N 1.220 109.569 108.800 -0.751 0.000 2.162 86 G HA2 -0.259 3.744 3.960 0.073 0.000 0.260 86 G HA3 -0.259 3.744 3.960 0.073 0.000 0.260 86 G C -0.079 174.567 174.900 -0.423 0.000 0.976 86 G CA 0.372 44.854 45.100 -1.029 0.000 0.655 86 G HN 0.604 nan 8.290 nan 0.000 0.533 87 K N 0.582 120.801 120.400 -0.302 0.000 2.144 87 K HA 0.410 4.773 4.320 0.073 0.000 0.270 87 K C 0.367 176.879 176.600 -0.147 0.000 1.005 87 K CA -0.532 55.648 56.287 -0.177 0.000 0.932 87 K CB 1.279 33.690 32.500 -0.148 0.000 1.021 87 K HN 0.351 nan 8.250 nan 0.000 0.462 88 E N 3.453 123.592 120.200 -0.103 0.000 2.299 88 E HA -0.020 4.374 4.350 0.073 0.000 0.272 88 E C 0.265 176.799 176.600 -0.110 0.000 1.043 88 E CA -0.101 56.231 56.400 -0.114 0.000 0.895 88 E CB 0.450 30.112 29.700 -0.063 0.000 1.011 88 E HN 0.517 nan 8.360 nan 0.000 0.432 89 L N 5.421 126.532 121.223 -0.187 0.000 2.095 89 L HA 0.116 4.500 4.340 0.073 0.000 0.204 89 L C 0.739 177.660 176.870 0.084 0.000 1.080 89 L CA 0.623 55.405 54.840 -0.097 0.000 0.759 89 L CB -0.228 41.724 42.059 -0.177 0.000 0.914 89 L HN 0.648 nan 8.230 nan 0.000 0.439 90 W N -0.208 121.090 121.300 -0.002 0.000 2.982 90 W HA 0.512 5.215 4.660 0.071 0.000 0.344 90 W C -1.517 175.030 176.519 0.046 0.000 1.215 90 W CA -1.125 56.233 57.345 0.023 0.000 1.182 90 W CB 1.035 30.515 29.460 0.033 0.000 1.437 90 W HN -0.132 nan 8.180 nan 0.000 0.570 91 R N 1.108 121.957 120.500 0.583 0.000 2.698 91 R HA 0.692 5.075 4.340 0.073 0.000 0.275 91 R C -2.536 174.083 176.300 0.533 0.000 1.001 91 R CA -0.873 55.507 56.100 0.467 0.000 0.896 91 R CB 2.750 33.166 30.300 0.193 0.000 1.218 91 R HN 0.508 nan 8.270 nan 0.000 0.462 92 Y N 1.696 122.227 120.300 0.385 0.000 2.350 92 Y HA 0.414 5.006 4.550 0.071 0.000 0.338 92 Y C -1.445 174.543 175.900 0.146 0.000 0.961 92 Y CA -0.993 57.234 58.100 0.212 0.000 1.100 92 Y CB 2.028 40.594 38.460 0.178 0.000 1.179 92 Y HN 0.815 nan 8.280 nan 0.000 0.454 93 D N 8.387 128.428 120.400 -0.599 0.000 2.471 93 D HA 0.334 5.017 4.640 0.073 0.000 0.245 93 D C -2.080 173.818 176.300 -0.670 0.000 1.116 93 D CA -2.470 51.280 54.000 -0.417 0.000 0.853 93 D CB 2.177 42.865 40.800 -0.188 0.000 1.123 93 D HN 0.402 nan 8.370 nan 0.000 0.540 94 P HA -0.031 nan 4.420 nan 0.000 0.237 94 P C -0.647 176.592 177.300 -0.102 0.000 1.178 94 P CA 0.323 63.298 63.100 -0.208 0.000 0.766 94 P CB 0.153 31.913 31.700 0.100 0.000 0.876 95 E N -1.052 119.082 120.200 -0.110 0.000 2.246 95 E HA -0.106 4.288 4.350 0.073 0.000 0.211 95 E C -0.445 176.131 176.600 -0.040 0.000 1.278 95 E CA -0.278 56.072 56.400 -0.083 0.000 0.694 95 E CB -1.858 27.786 29.700 -0.093 0.000 1.166 95 E HN 0.108 nan 8.360 nan 0.000 0.370 96 V N 0.906 120.827 119.914 0.011 0.000 2.572 96 V HA 0.251 4.414 4.120 0.073 0.000 0.291 96 V C 1.102 177.181 176.094 -0.026 0.000 1.039 96 V CA 0.499 62.835 62.300 0.060 0.000 1.055 96 V CB 1.300 33.248 31.823 0.210 0.000 0.969 96 V HN 0.507 nan 8.190 nan 0.000 0.482 97 A N 5.714 128.524 122.820 -0.018 0.000 2.524 97 A HA 0.183 4.547 4.320 0.073 0.000 0.250 97 A C 1.453 178.981 177.584 -0.094 0.000 1.078 97 A CA -0.243 51.752 52.037 -0.071 0.000 0.761 97 A CB 0.054 19.034 19.000 -0.034 0.000 1.012 97 A HN 0.838 nan 8.150 nan 0.000 0.500 98 K N 2.097 122.338 120.400 -0.264 0.000 2.103 98 K HA -0.157 4.207 4.320 0.073 0.000 0.207 98 K C 1.853 178.449 176.600 -0.006 0.000 1.048 98 K CA 1.706 57.760 56.287 -0.389 0.000 0.930 98 K CB -0.869 31.352 32.500 -0.465 0.000 0.716 98 K HN 0.895 nan 8.250 nan 0.000 0.444 99 V N -0.480 119.423 119.914 -0.018 0.000 3.241 99 V HA -0.053 4.111 4.120 0.073 0.000 0.269 99 V C 2.047 178.167 176.094 0.043 0.000 1.151 99 V CA 1.257 63.565 62.300 0.013 0.000 1.158 99 V CB -0.568 31.229 31.823 -0.044 0.000 0.764 99 V HN 0.022 nan 8.190 nan 0.000 0.508 100 K N 2.331 122.786 120.400 0.090 0.000 2.360 100 K HA 0.076 4.440 4.320 0.073 0.000 0.201 100 K C 1.917 178.584 176.600 0.111 0.000 1.046 100 K CA 1.591 57.933 56.287 0.092 0.000 0.945 100 K CB -0.831 31.749 32.500 0.133 0.000 0.750 100 K HN 0.549 nan 8.250 nan 0.000 0.464 101 A N 0.629 123.570 122.820 0.201 0.000 2.125 101 A HA -0.127 4.236 4.320 0.073 0.000 0.219 101 A C 2.122 179.774 177.584 0.114 0.000 1.156 101 A CA 1.369 53.508 52.037 0.170 0.000 0.671 101 A CB -0.564 18.585 19.000 0.249 0.000 0.794 101 A HN 0.422 nan 8.150 nan 0.000 0.459 102 R N 0.181 120.716 120.500 0.059 0.000 2.152 102 R HA -0.107 4.276 4.340 0.073 0.000 0.232 102 R C 0.785 177.036 176.300 -0.082 0.000 1.117 102 R CA 1.755 57.873 56.100 0.030 0.000 0.981 102 R CB -0.212 30.045 30.300 -0.071 0.000 0.870 102 R HN 0.552 nan 8.270 nan 0.000 0.451 103 T N -2.277 112.143 114.554 -0.223 0.000 3.308 103 T HA 0.337 4.731 4.350 0.073 0.000 0.270 103 T C -0.487 174.039 174.700 -0.289 0.000 0.992 103 T CA -0.621 61.059 62.100 -0.700 0.000 0.931 103 T CB 0.841 69.386 68.868 -0.538 0.000 1.142 103 T HN -0.113 nan 8.240 nan 0.000 0.525 104 S N 1.277 117.037 115.700 0.100 0.000 2.746 104 S HA 0.273 4.787 4.470 0.073 0.000 0.273 104 S C 1.549 176.353 174.600 0.341 0.000 1.172 104 S CA -0.901 57.421 58.200 0.204 0.000 1.116 104 S CB 0.262 63.508 63.200 0.077 0.000 1.057 104 S HN 0.742 nan 8.310 nan 0.000 0.483 105 C N 0.712 120.266 119.300 0.423 0.000 2.403 105 C HA -0.075 4.429 4.460 0.073 0.000 0.277 105 C C 1.282 176.402 174.990 0.216 0.000 1.248 105 C CA 0.401 59.609 59.018 0.316 0.000 1.762 105 C CB -1.611 26.077 27.740 -0.086 0.000 2.014 105 C HN 0.755 nan 8.230 nan 0.000 0.486 106 C N 1.882 121.218 119.300 0.060 0.000 2.975 106 C HA 0.568 5.072 4.460 0.073 0.000 0.234 106 C C -0.464 174.512 174.990 -0.023 0.000 1.666 106 C CA -0.338 58.696 59.018 0.027 0.000 1.534 106 C CB -2.291 25.425 27.740 -0.039 0.000 2.642 106 C HN 0.826 nan 8.230 nan 0.000 0.516 107 D N 0.715 121.091 120.400 -0.041 0.000 10.696 107 D HA -0.118 4.566 4.640 0.073 0.000 0.338 107 D C 0.138 176.291 176.300 -0.245 0.000 3.143 107 D CA 0.921 54.846 54.000 -0.127 0.000 2.699 107 D CB -0.083 40.660 40.800 -0.094 0.000 1.231 107 D HN 0.546 nan 8.370 nan 0.000 0.946 108 A N 1.564 124.105 122.820 -0.464 0.000 3.051 108 A HA 0.497 4.861 4.320 0.073 0.000 0.257 108 A C 0.826 178.102 177.584 -0.513 0.000 1.785 108 A CA 0.391 51.989 52.037 -0.733 0.000 1.420 108 A CB -0.907 16.954 19.000 -1.898 0.000 1.063 108 A HN 1.042 nan 8.150 nan 0.000 0.630 109 V N -1.046 118.685 119.914 -0.305 0.000 2.966 109 V HA 0.669 4.833 4.120 0.073 0.000 0.317 109 V C -0.124 175.871 176.094 -0.166 0.000 1.070 109 V CA -1.229 60.933 62.300 -0.230 0.000 1.008 109 V CB 1.847 33.515 31.823 -0.257 0.000 1.070 109 V HN 0.552 nan 8.190 nan 0.000 0.457 110 N N 1.199 119.825 118.700 -0.122 0.000 2.425 110 N HA 0.377 5.161 4.740 0.073 0.000 0.289 110 N C 0.034 175.522 175.510 -0.037 0.000 1.074 110 N CA -0.620 52.394 53.050 -0.059 0.000 0.905 110 N CB 2.480 40.969 38.487 0.003 0.000 1.586 110 N HN 0.773 nan 8.380 nan 0.000 0.490 111 R N 1.699 122.180 120.500 -0.032 0.000 2.310 111 R HA 0.262 4.646 4.340 0.073 0.000 0.202 111 R C 0.801 177.219 176.300 0.197 0.000 0.933 111 R CA 0.288 56.431 56.100 0.071 0.000 1.054 111 R CB 0.126 30.457 30.300 0.053 0.000 0.985 111 R HN 0.719 nan 8.270 nan 0.000 0.489 112 G N 0.107 108.984 108.800 0.128 0.000 2.355 112 G HA2 -0.032 3.972 3.960 0.073 0.000 0.619 112 G HA3 -0.032 3.972 3.960 0.073 0.000 0.619 112 G C -0.718 174.267 174.900 0.141 0.000 1.337 112 G CA -0.530 44.682 45.100 0.186 0.000 0.993 112 G HN 0.078 nan 8.290 nan 0.000 0.599 113 V N -2.079 117.940 119.914 0.176 0.000 3.267 113 V HA 1.053 5.217 4.120 0.073 0.000 0.317 113 V C 0.691 176.893 176.094 0.181 0.000 1.131 113 V CA 0.054 62.445 62.300 0.152 0.000 1.031 113 V CB 1.272 33.178 31.823 0.139 0.000 1.159 113 V HN 2.726 nan 8.190 nan 0.000 0.454 114 A N 0.715 123.645 122.820 0.182 0.000 2.430 114 A HA 0.932 5.296 4.320 0.073 0.000 0.300 114 A C -1.013 176.713 177.584 0.237 0.000 1.124 114 A CA -0.891 51.275 52.037 0.216 0.000 0.766 114 A CB 1.583 20.701 19.000 0.197 0.000 1.328 114 A HN 0.958 nan 8.150 nan 0.000 0.424 115 L N 0.705 122.061 121.223 0.222 0.000 2.370 115 L HA 0.707 5.090 4.340 0.073 0.000 0.266 115 L C -1.064 176.034 176.870 0.380 0.000 1.002 115 L CA -0.494 54.443 54.840 0.162 0.000 0.818 115 L CB 2.078 44.098 42.059 -0.064 0.000 1.325 115 L HN 0.833 nan 8.230 nan 0.000 0.418 116 W N 2.357 123.742 121.300 0.142 0.000 3.953 116 W HA 0.383 5.087 4.660 0.072 0.000 0.286 116 W C 0.285 176.877 176.519 0.121 0.000 1.256 116 W CA 0.451 57.882 57.345 0.143 0.000 1.244 116 W CB 1.657 31.230 29.460 0.189 0.000 1.262 116 W HN 0.758 nan 8.180 nan 0.000 0.522 117 G N 4.414 112.992 108.800 -0.371 0.000 2.591 117 G HA2 -0.379 3.625 3.960 0.073 0.000 0.298 117 G HA3 -0.379 3.625 3.960 0.073 0.000 0.298 117 G C 0.114 174.962 174.900 -0.087 0.000 1.195 117 G CA 1.444 46.428 45.100 -0.194 0.000 0.989 117 G HN 0.844 nan 8.290 nan 0.000 0.551 118 D N 0.880 121.266 120.400 -0.023 0.000 2.559 118 D HA 0.386 5.070 4.640 0.073 0.000 0.234 118 D C 0.535 176.790 176.300 -0.075 0.000 1.226 118 D CA 0.095 54.077 54.000 -0.030 0.000 0.830 118 D CB 0.100 40.893 40.800 -0.012 0.000 1.028 118 D HN 0.698 nan 8.370 nan 0.000 0.492 119 K N -0.567 119.769 120.400 -0.106 0.000 2.352 119 K HA 0.718 5.081 4.320 0.073 0.000 0.240 119 K C -0.992 175.344 176.600 -0.440 0.000 1.017 119 K CA -1.175 54.924 56.287 -0.313 0.000 0.851 119 K CB 2.969 35.205 32.500 -0.440 0.000 1.261 119 K HN -0.185 nan 8.250 nan 0.000 0.451 120 V N 1.827 121.369 119.914 -0.620 0.000 2.604 120 V HA 0.405 4.569 4.120 0.073 0.000 0.305 120 V C -1.472 174.192 176.094 -0.716 0.000 1.043 120 V CA -0.869 61.148 62.300 -0.471 0.000 0.888 120 V CB 1.044 32.761 31.823 -0.176 0.000 0.995 120 V HN 0.581 nan 8.190 nan 0.000 0.429 121 Y N 2.848 123.075 120.300 -0.123 0.000 2.393 121 Y HA 0.794 5.387 4.550 0.071 0.000 0.341 121 Y C -0.071 175.770 175.900 -0.098 0.000 0.988 121 Y CA -0.921 57.077 58.100 -0.171 0.000 1.078 121 Y CB 2.189 40.571 38.460 -0.130 0.000 1.203 121 Y HN 0.439 nan 8.280 nan 0.000 0.453 122 V N 1.726 121.643 119.914 0.004 0.000 2.971 122 V HA 0.902 5.065 4.120 0.073 0.000 0.309 122 V C -0.627 175.474 176.094 0.012 0.000 1.130 122 V CA -0.493 61.824 62.300 0.028 0.000 0.964 122 V CB 2.192 34.046 31.823 0.051 0.000 1.029 122 V HN 0.892 nan 8.190 nan 0.000 0.427 123 G N 2.436 111.253 108.800 0.029 0.000 2.388 123 G HA2 0.660 4.663 3.960 0.073 0.000 0.330 123 G HA3 0.660 4.663 3.960 0.073 0.000 0.330 123 G C -0.244 174.684 174.900 0.047 0.000 1.142 123 G CA 0.098 45.211 45.100 0.023 0.000 0.908 123 G HN 1.163 nan 8.290 nan 0.000 0.473 124 T N -0.209 114.378 114.554 0.056 0.000 2.950 124 T HA 0.396 4.789 4.350 0.073 0.000 0.288 124 T C 1.489 176.234 174.700 0.075 0.000 1.035 124 T CA -0.856 61.293 62.100 0.080 0.000 1.028 124 T CB 1.441 70.371 68.868 0.103 0.000 1.109 124 T HN 0.190 nan 8.240 nan 0.000 0.514 125 L N 0.737 122.013 121.223 0.088 0.000 2.187 125 L HA -0.028 4.356 4.340 0.073 0.000 0.213 125 L C 1.645 178.573 176.870 0.096 0.000 1.100 125 L CA 1.533 56.424 54.840 0.085 0.000 0.765 125 L CB -0.542 41.581 42.059 0.108 0.000 0.904 125 L HN 0.820 nan 8.230 nan 0.000 0.437 126 D N -1.251 119.209 120.400 0.100 0.000 2.358 126 D HA 0.144 4.828 4.640 0.073 0.000 0.224 126 D C 1.286 177.639 176.300 0.088 0.000 1.123 126 D CA 0.531 54.587 54.000 0.092 0.000 0.833 126 D CB 0.266 41.116 40.800 0.083 0.000 0.946 126 D HN 0.184 nan 8.370 nan 0.000 0.505 127 G N 0.146 108.995 108.800 0.082 0.000 2.157 127 G HA2 -0.296 3.708 3.960 0.073 0.000 0.239 127 G HA3 -0.296 3.708 3.960 0.073 0.000 0.239 127 G C 0.175 175.101 174.900 0.042 0.000 0.982 127 G CA -0.383 44.756 45.100 0.066 0.000 0.650 127 G HN 0.427 nan 8.290 nan 0.000 0.527 128 R N -0.709 119.817 120.500 0.043 0.000 2.457 128 R HA 0.687 5.071 4.340 0.073 0.000 0.284 128 R C -0.497 175.799 176.300 -0.006 0.000 1.024 128 R CA -0.785 55.330 56.100 0.024 0.000 1.025 128 R CB 1.391 31.721 30.300 0.049 0.000 1.063 128 R HN 0.220 nan 8.270 nan 0.000 0.493 129 L N 4.069 125.264 121.223 -0.046 0.000 2.319 129 L HA 0.497 4.881 4.340 0.073 0.000 0.281 129 L C -1.246 175.560 176.870 -0.106 0.000 1.005 129 L CA -0.117 54.678 54.840 -0.074 0.000 0.828 129 L CB 1.086 43.050 42.059 -0.157 0.000 1.227 129 L HN 0.521 nan 8.230 nan 0.000 0.415 130 I N 4.494 124.931 120.570 -0.221 0.000 2.474 130 I HA 0.717 4.930 4.170 0.073 0.000 0.294 130 I C -0.114 175.572 176.117 -0.720 0.000 1.005 130 I CA -0.819 60.222 61.300 -0.433 0.000 1.113 130 I CB 2.063 39.884 38.000 -0.299 0.000 1.289 130 I HN 0.739 nan 8.210 nan 0.000 0.436 131 A N 7.470 129.592 122.820 -1.164 0.000 2.288 131 A HA 0.864 5.228 4.320 0.073 0.000 0.320 131 A C -0.790 176.253 177.584 -0.902 0.000 1.217 131 A CA -0.417 50.859 52.037 -1.267 0.000 0.840 131 A CB 0.651 18.521 19.000 -1.883 0.000 1.179 131 A HN 0.673 nan 8.150 nan 0.000 0.504 132 L N 1.284 122.031 121.223 -0.794 0.000 2.354 132 L HA 0.398 4.782 4.340 0.073 0.000 0.269 132 L C -0.464 176.093 176.870 -0.521 0.000 1.005 132 L CA -1.040 53.414 54.840 -0.643 0.000 0.819 132 L CB 2.063 43.745 42.059 -0.627 0.000 1.311 132 L HN 0.788 nan 8.230 nan 0.000 0.423 133 D N 0.992 121.115 120.400 -0.462 0.000 2.383 133 D HA 0.244 4.928 4.640 0.073 0.000 0.252 133 D C 0.851 176.974 176.300 -0.296 0.000 1.166 133 D CA 0.302 54.103 54.000 -0.331 0.000 0.879 133 D CB 1.832 42.459 40.800 -0.288 0.000 1.164 133 D HN 0.603 nan 8.370 nan 0.000 0.462 134 A N 4.505 127.261 122.820 -0.107 0.000 1.908 134 A HA -0.200 4.164 4.320 0.073 0.000 0.218 134 A C 1.967 179.784 177.584 0.389 0.000 1.181 134 A CA 1.673 53.806 52.037 0.159 0.000 0.627 134 A CB -0.447 18.593 19.000 0.066 0.000 0.818 134 A HN 0.589 nan 8.150 nan 0.000 0.445 135 K N -0.354 120.140 120.400 0.156 0.000 2.062 135 K HA -0.088 4.276 4.320 0.073 0.000 0.205 135 K C 1.919 178.584 176.600 0.109 0.000 1.051 135 K CA 2.263 58.657 56.287 0.180 0.000 0.941 135 K CB -0.367 32.173 32.500 0.066 0.000 0.719 135 K HN 0.578 nan 8.250 nan 0.000 0.440 136 T N -4.929 109.487 114.554 -0.231 0.000 2.990 136 T HA 0.271 4.665 4.350 0.073 0.000 0.250 136 T C 1.306 175.349 174.700 -1.095 0.000 1.041 136 T CA 0.375 62.225 62.100 -0.416 0.000 1.010 136 T CB 0.440 69.167 68.868 -0.235 0.000 1.003 136 T HN 0.301 nan 8.240 nan 0.000 0.499 137 G N 1.965 109.750 108.800 -1.691 0.000 2.159 137 G HA2 -0.215 3.789 3.960 0.073 0.000 0.256 137 G HA3 -0.215 3.789 3.960 0.073 0.000 0.256 137 G C -0.051 174.323 174.900 -0.876 0.000 0.977 137 G CA -0.048 43.745 45.100 -2.179 0.000 0.652 137 G HN 0.588 nan 8.290 nan 0.000 0.531 138 K N 0.789 120.845 120.400 -0.572 0.000 2.298 138 K HA 0.651 5.015 4.320 0.073 0.000 0.280 138 K C 0.753 177.140 176.600 -0.354 0.000 1.032 138 K CA 0.263 56.358 56.287 -0.320 0.000 0.958 138 K CB 1.085 33.455 32.500 -0.216 0.000 0.978 138 K HN 0.753 nan 8.250 nan 0.000 0.472 139 A N 3.673 126.326 122.820 -0.279 0.000 2.488 139 A HA 0.186 4.550 4.320 0.073 0.000 0.249 139 A C 1.141 178.590 177.584 -0.225 0.000 1.083 139 A CA -0.075 51.760 52.037 -0.336 0.000 0.768 139 A CB -0.191 18.684 19.000 -0.209 0.000 1.017 139 A HN 0.789 nan 8.150 nan 0.000 0.496 140 I N 1.364 121.770 120.570 -0.273 0.000 2.947 140 I HA 0.179 4.392 4.170 0.073 0.000 0.263 140 I C 0.519 176.670 176.117 0.055 0.000 1.130 140 I CA 0.348 61.575 61.300 -0.121 0.000 1.448 140 I CB 0.068 37.980 38.000 -0.147 0.000 1.222 140 I HN 0.892 nan 8.210 nan 0.000 0.453 141 W N -0.187 121.060 121.300 -0.089 0.000 3.213 141 W HA 0.677 5.380 4.660 0.071 0.000 0.318 141 W C -1.355 175.123 176.519 -0.069 0.000 1.248 141 W CA -0.971 56.341 57.345 -0.056 0.000 1.187 141 W CB 1.104 30.549 29.460 -0.025 0.000 1.403 141 W HN -0.282 nan 8.180 nan 0.000 0.556 142 S N 1.401 117.338 115.700 0.395 0.000 2.548 142 S HA 0.449 4.963 4.470 0.073 0.000 0.276 142 S C -1.285 173.472 174.600 0.261 0.000 1.129 142 S CA -0.344 58.004 58.200 0.247 0.000 0.931 142 S CB 1.967 65.224 63.200 0.095 0.000 1.068 142 S HN 0.443 nan 8.310 nan 0.000 0.480 143 Q N 2.673 122.585 119.800 0.187 0.000 2.321 143 Q HA 0.304 4.688 4.340 0.073 0.000 0.270 143 Q C -1.270 174.728 176.000 -0.003 0.000 1.032 143 Q CA -0.663 55.165 55.803 0.042 0.000 0.784 143 Q CB 1.995 30.645 28.738 -0.148 0.000 1.264 143 Q HN 0.732 nan 8.270 nan 0.000 0.448 144 Q N 1.495 121.310 119.800 0.026 0.000 2.472 144 Q HA 0.099 4.482 4.340 0.073 0.000 0.227 144 Q C 0.845 176.873 176.000 0.047 0.000 1.156 144 Q CA 0.254 56.079 55.803 0.037 0.000 0.924 144 Q CB 0.414 29.181 28.738 0.049 0.000 1.354 144 Q HN 0.760 nan 8.270 nan 0.000 0.525 145 T N -0.583 113.994 114.554 0.037 0.000 2.995 145 T HA -0.012 4.381 4.350 0.073 0.000 0.269 145 T C 0.747 175.534 174.700 0.145 0.000 1.091 145 T CA 1.014 63.190 62.100 0.126 0.000 1.128 145 T CB -0.198 68.751 68.868 0.135 0.000 0.891 145 T HN 0.583 nan 8.240 nan 0.000 0.492 146 T N -0.771 113.826 114.554 0.071 0.000 2.924 146 T HA 0.433 4.827 4.350 0.073 0.000 0.291 146 T C -0.987 173.762 174.700 0.082 0.000 1.045 146 T CA -0.986 61.120 62.100 0.008 0.000 1.015 146 T CB 1.822 70.605 68.868 -0.141 0.000 1.103 146 T HN 0.034 nan 8.240 nan 0.000 0.496 147 D N 1.826 122.311 120.400 0.141 0.000 2.363 147 D HA 0.197 4.880 4.640 0.073 0.000 0.263 147 D C -1.461 174.951 176.300 0.186 0.000 1.258 147 D CA -1.932 52.170 54.000 0.170 0.000 0.907 147 D CB 1.318 42.248 40.800 0.218 0.000 1.107 147 D HN 0.190 nan 8.370 nan 0.000 0.495 148 P HA -0.122 nan 4.420 nan 0.000 0.218 148 P C 0.816 178.172 177.300 0.094 0.000 1.146 148 P CA 1.162 64.323 63.100 0.102 0.000 0.813 148 P CB 0.241 31.983 31.700 0.069 0.000 0.778 149 A N -1.234 121.644 122.820 0.096 0.000 2.066 149 A HA -0.067 4.297 4.320 0.073 0.000 0.218 149 A C 1.092 178.724 177.584 0.080 0.000 1.157 149 A CA 0.970 53.050 52.037 0.073 0.000 0.670 149 A CB -0.542 18.498 19.000 0.067 0.000 0.804 149 A HN 0.179 nan 8.150 nan 0.000 0.453 150 K N 0.372 120.857 120.400 0.142 0.000 2.098 150 K HA 0.313 4.677 4.320 0.073 0.000 0.258 150 K C -2.440 174.198 176.600 0.063 0.000 0.973 150 K CA -2.119 54.237 56.287 0.115 0.000 0.898 150 K CB 0.971 33.602 32.500 0.217 0.000 1.057 150 K HN -0.046 nan 8.250 nan 0.000 0.447 151 P HA -0.049 nan 4.420 nan 0.000 0.246 151 P C -1.145 176.096 177.300 -0.099 0.000 1.675 151 P CA 0.346 63.353 63.100 -0.154 0.000 0.908 151 P CB -0.208 31.353 31.700 -0.231 0.000 1.890 152 Y N 0.798 121.121 120.300 0.039 0.000 2.432 152 Y HA 0.460 5.050 4.550 0.067 0.000 0.322 152 Y C 1.377 177.298 175.900 0.036 0.000 1.246 152 Y CA 0.217 58.351 58.100 0.057 0.000 1.268 152 Y CB 1.536 40.046 38.460 0.084 0.000 1.276 152 Y HN 0.147 nan 8.280 nan 0.000 0.499 153 S N 0.465 116.309 115.700 0.239 0.000 2.578 153 S HA 0.681 5.194 4.470 0.073 0.000 0.272 153 S C -1.656 173.003 174.600 0.098 0.000 1.145 153 S CA -0.990 57.288 58.200 0.131 0.000 0.835 153 S CB 0.874 64.127 63.200 0.090 0.000 1.104 153 S HN 0.476 nan 8.310 nan 0.000 0.458 154 I N 1.965 122.574 120.570 0.066 0.000 2.436 154 I HA 0.475 4.689 4.170 0.073 0.000 0.289 154 I C 0.818 176.953 176.117 0.030 0.000 1.010 154 I CA -0.653 60.677 61.300 0.049 0.000 1.098 154 I CB 2.511 40.532 38.000 0.035 0.000 1.266 154 I HN 1.061 nan 8.210 nan 0.000 0.434 155 T N 0.202 114.774 114.554 0.030 0.000 2.954 155 T HA 0.219 4.613 4.350 0.073 0.000 0.252 155 T C 0.843 175.534 174.700 -0.014 0.000 0.983 155 T CA -0.044 62.047 62.100 -0.014 0.000 0.941 155 T CB 0.350 69.187 68.868 -0.052 0.000 1.141 155 T HN 0.575 nan 8.240 nan 0.000 0.500 156 G N 1.185 110.002 108.800 0.028 0.000 2.562 156 G HA2 0.591 4.595 3.960 0.073 0.000 0.275 156 G HA3 0.591 4.595 3.960 0.073 0.000 0.275 156 G C -0.176 174.676 174.900 -0.080 0.000 1.196 156 G CA -0.365 44.722 45.100 -0.023 0.000 0.908 156 G HN 0.665 nan 8.290 nan 0.000 0.524 157 A N 1.240 123.930 122.820 -0.216 0.000 2.310 157 A HA 0.749 5.112 4.320 0.073 0.000 0.299 157 A C -1.893 175.616 177.584 -0.125 0.000 1.147 157 A CA -1.260 50.653 52.037 -0.207 0.000 0.818 157 A CB 0.931 19.650 19.000 -0.469 0.000 1.096 157 A HN 0.551 nan 8.150 nan 0.000 0.495 158 P HA 0.600 nan 4.420 nan 0.000 0.278 158 P C -0.901 176.407 177.300 0.014 0.000 1.258 158 P CA -0.479 62.611 63.100 -0.017 0.000 0.811 158 P CB 1.054 32.752 31.700 -0.003 0.000 1.063 159 R N -0.237 120.262 120.500 -0.002 0.000 2.807 159 R HA 0.618 5.001 4.340 0.073 0.000 0.276 159 R C -1.049 175.215 176.300 -0.061 0.000 0.979 159 R CA -0.952 55.178 56.100 0.050 0.000 0.928 159 R CB 1.685 32.052 30.300 0.111 0.000 1.191 159 R HN 0.168 nan 8.270 nan 0.000 0.471 160 V N 2.557 122.448 119.914 -0.038 0.000 2.409 160 V HA 0.513 4.677 4.120 0.073 0.000 0.291 160 V C -0.788 175.101 176.094 -0.342 0.000 1.020 160 V CA -0.764 61.345 62.300 -0.317 0.000 0.848 160 V CB 1.761 33.334 31.823 -0.416 0.000 0.990 160 V HN 0.421 nan 8.190 nan 0.000 0.430 161 V N 5.074 124.649 119.914 -0.565 0.000 2.444 161 V HA 0.447 4.610 4.120 0.073 0.000 0.294 161 V C 0.248 175.951 176.094 -0.653 0.000 1.022 161 V CA -1.121 60.753 62.300 -0.709 0.000 0.850 161 V CB 1.416 32.691 31.823 -0.913 0.000 0.992 161 V HN 0.961 nan 8.190 nan 0.000 0.426 162 K N 3.766 123.877 120.400 -0.481 0.000 3.156 162 K HA -0.241 4.123 4.320 0.073 0.000 0.266 162 K C 1.075 177.497 176.600 -0.297 0.000 0.966 162 K CA 0.645 56.803 56.287 -0.216 0.000 0.719 162 K CB -1.491 30.917 32.500 -0.153 0.000 1.333 162 K HN 1.597 nan 8.250 nan 0.000 0.468 163 G N -0.149 108.226 108.800 -0.708 0.000 2.162 163 G HA2 -0.358 3.646 3.960 0.073 0.000 0.260 163 G HA3 -0.358 3.646 3.960 0.073 0.000 0.260 163 G C -0.195 174.363 174.900 -0.570 0.000 0.976 163 G CA 0.886 45.627 45.100 -0.600 0.000 0.655 163 G HN 0.383 nan 8.290 nan 0.000 0.533 164 K N 0.140 120.176 120.400 -0.607 0.000 2.323 164 K HA 0.587 4.951 4.320 0.073 0.000 0.259 164 K C -0.126 176.170 176.600 -0.506 0.000 0.947 164 K CA -0.893 55.114 56.287 -0.467 0.000 0.819 164 K CB 2.891 35.161 32.500 -0.384 0.000 1.109 164 K HN 0.018 nan 8.250 nan 0.000 0.429 165 V N 4.972 124.642 119.914 -0.407 0.000 2.408 165 V HA 0.183 4.347 4.120 0.073 0.000 0.267 165 V C 0.123 176.084 176.094 -0.221 0.000 1.047 165 V CA -0.614 61.474 62.300 -0.354 0.000 0.937 165 V CB 0.399 32.029 31.823 -0.323 0.000 0.999 165 V HN 0.587 nan 8.190 nan 0.000 0.472 166 I N 6.435 126.876 120.570 -0.216 0.000 2.331 166 I HA 0.556 4.769 4.170 0.073 0.000 0.292 166 I C -0.229 175.840 176.117 -0.080 0.000 0.998 166 I CA -0.419 60.775 61.300 -0.178 0.000 1.267 166 I CB 1.137 39.038 38.000 -0.166 0.000 1.386 166 I HN 0.484 nan 8.210 nan 0.000 0.476 167 I N 3.983 124.532 120.570 -0.035 0.000 2.841 167 I HA 0.726 4.939 4.170 0.073 0.000 0.298 167 I C 0.041 176.161 176.117 0.004 0.000 1.304 167 I CA -0.029 61.270 61.300 -0.002 0.000 1.019 167 I CB 2.217 40.230 38.000 0.020 0.000 1.282 167 I HN 0.630 nan 8.210 nan 0.000 0.432 168 G N 3.473 112.261 108.800 -0.020 0.000 3.247 168 G HA2 0.729 4.732 3.960 0.073 0.000 0.163 168 G HA3 0.729 4.732 3.960 0.073 0.000 0.163 168 G C -1.110 173.727 174.900 -0.104 0.000 1.206 168 G CA 0.080 45.135 45.100 -0.076 0.000 0.918 168 G HN 0.950 nan 8.290 nan 0.000 0.625 169 N N -3.137 115.520 118.700 -0.072 0.000 3.373 169 N HA 0.554 5.337 4.740 0.073 0.000 0.275 169 N C -0.557 175.039 175.510 0.143 0.000 1.489 169 N CA -0.163 52.889 53.050 0.005 0.000 0.872 169 N CB 0.743 39.162 38.487 -0.113 0.000 1.555 169 N HN 0.966 nan 8.380 nan 0.000 0.500 170 G N -3.457 105.436 108.800 0.154 0.000 2.730 170 G HA2 0.670 4.674 3.960 0.073 0.000 0.289 170 G HA3 0.670 4.674 3.960 0.073 0.000 0.289 170 G C 0.069 175.023 174.900 0.090 0.000 1.341 170 G CA -0.473 44.678 45.100 0.085 0.000 0.932 170 G HN 1.681 nan 8.290 nan 0.000 0.481 171 G N -1.963 106.833 108.800 -0.006 0.000 2.507 171 G HA2 0.276 4.280 3.960 0.073 0.000 0.205 171 G HA3 0.276 4.280 3.960 0.073 0.000 0.205 171 G C 1.159 176.035 174.900 -0.038 0.000 0.996 171 G CA 1.037 46.165 45.100 0.046 0.000 0.776 171 G HN 1.617 nan 8.290 nan 0.000 0.532 172 A N 0.419 123.194 122.820 -0.074 0.000 2.024 172 A HA 0.127 4.491 4.320 0.073 0.000 0.220 172 A C 1.949 179.454 177.584 -0.131 0.000 1.164 172 A CA 2.349 54.360 52.037 -0.043 0.000 0.643 172 A CB -0.218 18.799 19.000 0.028 0.000 0.806 172 A HN 0.408 nan 8.150 nan 0.000 0.451 173 E N -1.055 118.923 120.200 -0.370 0.000 2.106 173 E HA -0.133 4.261 4.350 0.073 0.000 0.192 173 E C 1.479 177.634 176.600 -0.741 0.000 0.984 173 E CA 1.394 57.346 56.400 -0.748 0.000 0.806 173 E CB -0.370 28.401 29.700 -1.547 0.000 0.750 173 E HN 0.821 nan 8.360 nan 0.000 0.458 174 Y N -0.964 119.174 120.300 -0.269 0.000 2.365 174 Y HA 0.307 4.900 4.550 0.071 0.000 0.293 174 Y C 1.069 176.917 175.900 -0.086 0.000 1.119 174 Y CA 0.712 58.738 58.100 -0.123 0.000 1.203 174 Y CB 0.492 38.911 38.460 -0.069 0.000 1.026 174 Y HN 0.008 nan 8.280 nan 0.000 0.549 175 G N 0.512 109.327 108.800 0.026 0.000 2.992 175 G HA2 0.240 4.244 3.960 0.073 0.000 0.677 175 G HA3 0.240 4.244 3.960 0.073 0.000 0.677 175 G C -1.028 173.855 174.900 -0.029 0.000 1.191 175 G CA -0.517 44.593 45.100 0.017 0.000 1.178 175 G HN 0.596 nan 8.290 nan 0.000 0.506 176 V N -0.789 119.093 119.914 -0.054 0.000 3.206 176 V HA 0.899 5.063 4.120 0.073 0.000 0.305 176 V C 0.072 176.220 176.094 0.091 0.000 1.257 176 V CA -1.570 60.638 62.300 -0.152 0.000 1.057 176 V CB 2.054 33.464 31.823 -0.689 0.000 1.075 176 V HN 0.994 nan 8.190 nan 0.000 0.443 177 R N 1.103 121.770 120.500 0.278 0.000 2.207 177 R HA 0.612 4.996 4.340 0.073 0.000 0.334 177 R C 0.350 177.016 176.300 0.610 0.000 1.013 177 R CA 0.198 56.555 56.100 0.429 0.000 0.858 177 R CB 0.950 31.520 30.300 0.450 0.000 1.094 177 R HN 1.300 nan 8.270 nan 0.000 0.457 178 G N 3.444 112.517 108.800 0.456 0.000 2.527 178 G HA2 0.381 4.385 3.960 0.073 0.000 0.248 178 G HA3 0.381 4.385 3.960 0.073 0.000 0.248 178 G C -0.783 174.405 174.900 0.479 0.000 1.231 178 G CA -0.254 45.069 45.100 0.372 0.000 0.838 178 G HN 0.631 nan 8.290 nan 0.000 0.570 179 F N -1.050 119.018 119.950 0.196 0.000 2.769 179 F HA 0.603 5.180 4.527 0.084 0.000 0.313 179 F C -1.622 174.192 175.800 0.022 0.000 1.146 179 F CA -1.524 56.491 58.000 0.024 0.000 0.934 179 F CB 1.201 39.941 39.000 -0.433 0.000 1.283 179 F HN 0.632 nan 8.300 nan 0.000 0.443 180 V N 1.748 121.838 119.914 0.294 0.000 2.656 180 V HA 0.876 5.040 4.120 0.073 0.000 0.307 180 V C -1.062 175.118 176.094 0.143 0.000 1.051 180 V CA -0.179 62.222 62.300 0.168 0.000 0.893 180 V CB 2.115 34.018 31.823 0.134 0.000 0.999 180 V HN 1.090 nan 8.190 nan 0.000 0.426 181 S N 3.983 119.661 115.700 -0.037 0.000 2.634 181 S HA 0.940 5.453 4.470 0.073 0.000 0.296 181 S C -0.573 173.590 174.600 -0.729 0.000 1.104 181 S CA -0.276 57.690 58.200 -0.391 0.000 0.920 181 S CB 1.887 64.915 63.200 -0.286 0.000 1.111 181 S HN 1.376 nan 8.310 nan 0.000 0.493 182 A N 1.444 123.509 122.820 -1.259 0.000 2.335 182 A HA 0.757 5.120 4.320 0.073 0.000 0.304 182 A C -1.754 175.282 177.584 -0.913 0.000 1.118 182 A CA -0.483 50.868 52.037 -1.143 0.000 0.757 182 A CB 0.321 18.228 19.000 -1.821 0.000 1.188 182 A HN 0.677 nan 8.150 nan 0.000 0.460 183 Y N 0.521 120.550 120.300 -0.451 0.000 2.409 183 Y HA 0.386 4.978 4.550 0.069 0.000 0.339 183 Y C 0.355 176.042 175.900 -0.355 0.000 1.033 183 Y CA -0.594 57.287 58.100 -0.365 0.000 1.094 183 Y CB 1.595 39.900 38.460 -0.258 0.000 1.210 183 Y HN 0.832 nan 8.280 nan 0.000 0.456 184 D N 1.532 121.798 120.400 -0.223 0.000 2.434 184 D HA 0.200 4.884 4.640 0.073 0.000 0.252 184 D C 0.906 177.126 176.300 -0.133 0.000 1.185 184 D CA 0.524 54.399 54.000 -0.209 0.000 0.886 184 D CB 1.173 41.849 40.800 -0.207 0.000 1.148 184 D HN 0.706 nan 8.370 nan 0.000 0.483 185 A N 3.971 126.754 122.820 -0.062 0.000 1.978 185 A HA -0.207 4.157 4.320 0.073 0.000 0.220 185 A C 1.691 179.588 177.584 0.522 0.000 1.170 185 A CA 1.505 53.637 52.037 0.157 0.000 0.636 185 A CB -0.218 18.740 19.000 -0.070 0.000 0.810 185 A HN 0.688 nan 8.150 nan 0.000 0.448 186 D N -1.442 119.125 120.400 0.278 0.000 2.240 186 D HA -0.032 4.652 4.640 0.073 0.000 0.206 186 D C 2.083 178.468 176.300 0.143 0.000 0.963 186 D CA 1.944 56.115 54.000 0.284 0.000 0.863 186 D CB -0.170 40.729 40.800 0.164 0.000 0.973 186 D HN 0.631 nan 8.370 nan 0.000 0.501 187 T N -4.426 110.002 114.554 -0.208 0.000 2.955 187 T HA 0.375 4.768 4.350 0.073 0.000 0.251 187 T C 1.699 175.685 174.700 -1.189 0.000 1.002 187 T CA 0.754 62.573 62.100 -0.469 0.000 0.970 187 T CB 1.034 69.746 68.868 -0.260 0.000 1.091 187 T HN 0.149 nan 8.240 nan 0.000 0.495 188 G N 1.852 109.710 108.800 -1.570 0.000 2.176 188 G HA2 -0.270 3.734 3.960 0.073 0.000 0.253 188 G HA3 -0.270 3.734 3.960 0.073 0.000 0.253 188 G C -0.013 174.477 174.900 -0.684 0.000 0.979 188 G CA 0.251 44.116 45.100 -2.057 0.000 0.641 188 G HN 0.857 nan 8.290 nan 0.000 0.530 189 K N 0.624 120.758 120.400 -0.444 0.000 2.451 189 K HA 0.381 4.745 4.320 0.073 0.000 0.280 189 K C 0.632 177.117 176.600 -0.193 0.000 1.020 189 K CA -0.757 55.396 56.287 -0.224 0.000 1.008 189 K CB 0.270 32.654 32.500 -0.193 0.000 0.917 189 K HN 0.264 nan 8.250 nan 0.000 0.478 190 L N 5.252 126.364 121.223 -0.185 0.000 2.534 190 L HA 0.044 4.427 4.340 0.073 0.000 0.271 190 L C 0.698 177.344 176.870 -0.374 0.000 1.178 190 L CA 0.805 55.361 54.840 -0.474 0.000 0.907 190 L CB 0.666 42.477 42.059 -0.414 0.000 1.164 190 L HN 0.853 nan 8.230 nan 0.000 0.482 191 A N 6.703 129.239 122.820 -0.472 0.000 1.871 191 A HA 0.227 4.591 4.320 0.073 0.000 0.211 191 A C 0.275 177.778 177.584 -0.135 0.000 1.207 191 A CA 1.011 52.875 52.037 -0.289 0.000 0.620 191 A CB -0.089 18.711 19.000 -0.333 0.000 0.860 191 A HN 0.856 nan 8.150 nan 0.000 0.450 192 W N -2.308 118.826 121.300 -0.276 0.000 3.153 192 W HA 0.708 5.409 4.660 0.068 0.000 0.316 192 W C -1.152 175.214 176.519 -0.255 0.000 1.255 192 W CA -0.982 56.228 57.345 -0.225 0.000 1.192 192 W CB 0.684 30.040 29.460 -0.175 0.000 1.400 192 W HN 0.165 nan 8.180 nan 0.000 0.568 193 R N 1.739 122.393 120.500 0.257 0.000 2.574 193 R HA 0.586 4.970 4.340 0.073 0.000 0.288 193 R C -2.400 174.008 176.300 0.181 0.000 1.004 193 R CA -0.667 55.497 56.100 0.108 0.000 0.895 193 R CB 2.449 32.613 30.300 -0.225 0.000 1.191 193 R HN 0.511 nan 8.270 nan 0.000 0.444 194 F N 4.976 124.986 119.950 0.101 0.000 2.403 194 F HA 0.414 4.986 4.527 0.074 0.000 0.355 194 F C -1.320 174.573 175.800 0.155 0.000 1.119 194 F CA -0.565 57.411 58.000 -0.039 0.000 1.007 194 F CB 0.701 39.647 39.000 -0.089 0.000 1.194 194 F HN 0.496 nan 8.300 nan 0.000 0.443 195 Y N 3.127 123.566 120.300 0.233 0.000 2.359 195 Y HA 0.135 4.731 4.550 0.076 0.000 0.330 195 Y C 1.860 177.929 175.900 0.282 0.000 1.143 195 Y CA 0.332 58.610 58.100 0.297 0.000 1.318 195 Y CB 1.370 39.921 38.460 0.152 0.000 1.234 195 Y HN 0.675 nan 8.280 nan 0.000 0.522 196 T N -1.356 113.530 114.554 0.554 0.000 3.081 196 T HA 0.178 4.571 4.350 0.073 0.000 0.255 196 T C 0.195 175.210 174.700 0.526 0.000 1.113 196 T CA 0.536 62.987 62.100 0.585 0.000 1.082 196 T CB -0.575 68.576 68.868 0.472 0.000 0.939 196 T HN 0.376 nan 8.240 nan 0.000 0.506 197 V N -2.629 117.509 119.914 0.374 0.000 3.007 197 V HA 0.744 4.908 4.120 0.073 0.000 0.311 197 V C -3.392 172.698 176.094 -0.006 0.000 1.120 197 V CA -3.288 59.111 62.300 0.163 0.000 0.980 197 V CB 2.000 33.885 31.823 0.103 0.000 1.033 197 V HN -0.184 nan 8.190 nan 0.000 0.429 198 P HA 0.434 nan 4.420 nan 0.000 0.272 198 P C 0.238 177.510 177.300 -0.046 0.000 1.223 198 P CA 0.595 63.616 63.100 -0.131 0.000 0.784 198 P CB 0.861 32.462 31.700 -0.166 0.000 0.923 199 G N 0.350 109.094 108.800 -0.093 0.000 2.857 199 G HA2 0.210 4.213 3.960 0.073 0.000 0.217 199 G HA3 0.210 4.213 3.960 0.073 0.000 0.217 199 G C -0.673 173.997 174.900 -0.382 0.000 1.357 199 G CA -0.272 44.731 45.100 -0.161 0.000 1.033 199 G HN 0.420 nan 8.290 nan 0.000 0.571 200 D N 0.030 120.086 120.400 -0.574 0.000 2.487 200 D HA 0.106 4.790 4.640 0.073 0.000 0.243 200 D C -1.285 174.438 176.300 -0.962 0.000 1.154 200 D CA -1.310 51.985 54.000 -1.175 0.000 0.876 200 D CB 1.513 41.876 40.800 -0.730 0.000 1.161 200 D HN -0.132 nan 8.370 nan 0.000 0.478 201 P HA -0.048 nan 4.420 nan 0.000 0.225 201 P C 0.714 177.672 177.300 -0.570 0.000 1.148 201 P CA 0.975 63.627 63.100 -0.746 0.000 0.779 201 P CB 0.206 31.514 31.700 -0.654 0.000 0.780 202 A N -1.532 120.969 122.820 -0.532 0.000 2.119 202 A HA 0.013 4.377 4.320 0.073 0.000 0.217 202 A C 0.969 178.360 177.584 -0.321 0.000 1.153 202 A CA 0.835 52.664 52.037 -0.347 0.000 0.692 202 A CB -0.781 18.059 19.000 -0.266 0.000 0.799 202 A HN 0.156 nan 8.150 nan 0.000 0.458 203 L N -0.573 120.414 121.223 -0.393 0.000 2.322 203 L HA 0.425 4.809 4.340 0.073 0.000 0.269 203 L C -2.469 174.145 176.870 -0.427 0.000 1.012 203 L CA -2.510 52.127 54.840 -0.339 0.000 0.815 203 L CB 1.499 43.378 42.059 -0.300 0.000 1.295 203 L HN -0.075 nan 8.230 nan 0.000 0.438 204 P HA 0.058 nan 4.420 nan 0.000 0.269 204 P C -1.341 175.735 177.300 -0.374 0.000 1.215 204 P CA -0.137 62.755 63.100 -0.347 0.000 0.780 204 P CB 0.225 31.811 31.700 -0.190 0.000 0.898 205 Y N 0.508 120.696 120.300 -0.187 0.000 2.359 205 Y HA 0.047 4.641 4.550 0.073 0.000 0.330 205 Y C 1.799 177.571 175.900 -0.212 0.000 1.143 205 Y CA 0.299 58.257 58.100 -0.236 0.000 1.318 205 Y CB 0.272 38.602 38.460 -0.216 0.000 1.234 205 Y HN 0.460 nan 8.280 nan 0.000 0.522 206 E N 0.888 121.024 120.200 -0.107 0.000 2.204 206 E HA -0.099 4.295 4.350 0.073 0.000 0.194 206 E C -0.250 176.413 176.600 0.104 0.000 0.989 206 E CA 1.233 57.626 56.400 -0.012 0.000 0.824 206 E CB -0.043 29.707 29.700 0.083 0.000 0.756 206 E HN 0.603 nan 8.360 nan 0.000 0.477 207 H N -4.884 114.176 119.070 -0.016 0.000 3.064 207 H HA 0.204 4.804 4.556 0.072 0.000 0.352 207 H C -2.581 172.716 175.328 -0.053 0.000 1.260 207 H CA -2.196 53.824 56.048 -0.047 0.000 1.160 207 H CB 1.026 30.725 29.762 -0.106 0.000 1.879 207 H HN -0.274 nan 8.280 nan 0.000 0.544 208 P HA -0.203 nan 4.420 nan 0.000 0.217 208 P C 0.965 178.237 177.300 -0.046 0.000 1.151 208 P CA 1.813 64.908 63.100 -0.008 0.000 0.849 208 P CB 0.347 32.066 31.700 0.032 0.000 0.787 209 E N -0.681 119.559 120.200 0.067 0.000 2.160 209 E HA -0.150 4.244 4.350 0.073 0.000 0.195 209 E C 1.937 178.548 176.600 0.018 0.000 0.991 209 E CA 0.910 57.402 56.400 0.153 0.000 0.810 209 E CB -0.973 28.949 29.700 0.370 0.000 0.742 209 E HN 0.264 nan 8.360 nan 0.000 0.466 210 L N 0.213 121.287 121.223 -0.249 0.000 2.141 210 L HA -0.123 4.260 4.340 0.073 0.000 0.209 210 L C 2.613 179.053 176.870 -0.717 0.000 1.094 210 L CA 1.095 55.697 54.840 -0.397 0.000 0.763 210 L CB -0.360 41.415 42.059 -0.474 0.000 0.908 210 L HN 0.095 nan 8.230 nan 0.000 0.437 211 R N 0.274 120.207 120.500 -0.946 0.000 2.081 211 R HA -0.168 4.216 4.340 0.073 0.000 0.235 211 R C 2.147 178.167 176.300 -0.466 0.000 1.131 211 R CA 1.366 56.797 56.100 -1.114 0.000 0.960 211 R CB 0.051 29.986 30.300 -0.608 0.000 0.856 211 R HN 0.275 nan 8.270 nan 0.000 0.436 212 E N 0.450 120.493 120.200 -0.262 0.000 2.072 212 E HA -0.114 4.280 4.350 0.073 0.000 0.191 212 E C 1.900 178.417 176.600 -0.138 0.000 0.985 212 E CA 1.238 57.562 56.400 -0.127 0.000 0.801 212 E CB -0.340 29.340 29.700 -0.033 0.000 0.750 212 E HN 0.471 nan 8.360 nan 0.000 0.452 213 A N 1.681 124.385 122.820 -0.193 0.000 1.902 213 A HA -0.082 4.281 4.320 0.073 0.000 0.217 213 A C 2.436 180.015 177.584 -0.009 0.000 1.181 213 A CA 1.998 53.903 52.037 -0.221 0.000 0.623 213 A CB -0.642 18.165 19.000 -0.322 0.000 0.818 213 A HN 0.256 nan 8.150 nan 0.000 0.443 214 A N 0.037 122.806 122.820 -0.085 0.000 2.032 214 A HA -0.214 4.150 4.320 0.073 0.000 0.221 214 A C 1.986 179.650 177.584 0.133 0.000 1.165 214 A CA 1.886 53.941 52.037 0.031 0.000 0.645 214 A CB -0.485 18.522 19.000 0.011 0.000 0.807 214 A HN 0.599 nan 8.150 nan 0.000 0.453 215 K N -0.479 119.950 120.400 0.049 0.000 2.362 215 K HA -0.067 4.297 4.320 0.073 0.000 0.200 215 K C 1.344 177.970 176.600 0.044 0.000 1.046 215 K CA 1.400 57.716 56.287 0.049 0.000 0.952 215 K CB -0.211 32.293 32.500 0.007 0.000 0.753 215 K HN 0.703 nan 8.250 nan 0.000 0.466 216 T N -2.576 112.005 114.554 0.045 0.000 3.186 216 T HA 0.120 4.514 4.350 0.073 0.000 0.257 216 T C -0.358 174.209 174.700 -0.221 0.000 1.029 216 T CA -0.700 61.345 62.100 -0.092 0.000 0.916 216 T CB -0.156 68.596 68.868 -0.194 0.000 1.041 216 T HN 0.055 nan 8.240 nan 0.000 0.562 217 W N 1.300 122.495 121.300 -0.175 0.000 2.761 217 W HA 0.686 5.387 4.660 0.068 0.000 0.340 217 W C -0.339 176.152 176.519 -0.047 0.000 1.072 217 W CA -0.819 56.376 57.345 -0.251 0.000 1.215 217 W CB 1.505 30.548 29.460 -0.696 0.000 1.420 217 W HN -0.089 nan 8.180 nan 0.000 0.519 218 Q N 1.303 121.233 119.800 0.217 0.000 2.387 218 Q HA 0.682 5.065 4.340 0.073 0.000 0.273 218 Q C 0.264 176.443 176.000 0.298 0.000 1.089 218 Q CA -0.493 55.440 55.803 0.216 0.000 0.824 218 Q CB 1.998 30.786 28.738 0.083 0.000 1.367 218 Q HN 0.766 nan 8.270 nan 0.000 0.443 219 G N 1.871 110.816 108.800 0.242 0.000 2.757 219 G HA2 -0.196 3.807 3.960 0.073 0.000 0.638 219 G HA3 -0.196 3.807 3.960 0.073 0.000 0.638 219 G C -0.739 174.257 174.900 0.161 0.000 1.344 219 G CA -0.046 45.156 45.100 0.170 0.000 0.855 219 G HN 0.795 nan 8.290 nan 0.000 0.537 220 D N -1.477 118.877 120.400 -0.077 0.000 2.670 220 D HA 0.348 5.032 4.640 0.073 0.000 0.255 220 D C 1.135 176.802 176.300 -1.054 0.000 1.286 220 D CA 0.085 53.816 54.000 -0.450 0.000 0.830 220 D CB 0.675 41.436 40.800 -0.065 0.000 1.065 220 D HN 0.317 nan 8.370 nan 0.000 0.486 221 Q N -0.568 118.785 119.800 -0.745 0.000 2.245 221 Q HA 0.038 4.422 4.340 0.073 0.000 0.250 221 Q C 1.292 176.972 176.000 -0.533 0.000 0.830 221 Q CA 0.187 55.606 55.803 -0.640 0.000 0.950 221 Q CB -0.195 28.389 28.738 -0.256 0.000 1.124 221 Q HN 0.581 nan 8.270 nan 0.000 0.502 222 Y N -0.345 119.758 120.300 -0.327 0.000 2.207 222 Y HA -0.233 4.361 4.550 0.073 0.000 0.287 222 Y C 1.865 177.713 175.900 -0.087 0.000 1.156 222 Y CA 1.454 59.507 58.100 -0.078 0.000 1.182 222 Y CB -1.342 37.229 38.460 0.184 0.000 0.979 222 Y HN 0.190 nan 8.280 nan 0.000 0.521 223 W N 0.971 122.027 121.300 -0.407 0.000 2.584 223 W HA 0.230 4.933 4.660 0.071 0.000 0.264 223 W C 1.563 178.012 176.519 -0.117 0.000 1.264 223 W CA 0.477 57.671 57.345 -0.251 0.000 1.306 223 W CB -0.430 28.785 29.460 -0.408 0.000 1.110 223 W HN -0.164 nan 8.180 nan 0.000 0.606 224 K N 0.982 121.120 120.400 -0.435 0.000 2.167 224 K HA 0.100 4.464 4.320 0.073 0.000 0.203 224 K C 1.856 178.415 176.600 -0.068 0.000 1.052 224 K CA 1.092 57.250 56.287 -0.214 0.000 0.956 224 K CB -0.273 32.023 32.500 -0.340 0.000 0.735 224 K HN 0.245 nan 8.250 nan 0.000 0.451 225 L N -1.456 119.729 121.223 -0.063 0.000 2.509 225 L HA 0.172 4.556 4.340 0.073 0.000 0.222 225 L C 1.395 178.302 176.870 0.061 0.000 1.123 225 L CA 0.543 55.397 54.840 0.024 0.000 0.856 225 L CB 0.103 42.177 42.059 0.024 0.000 0.985 225 L HN 0.472 nan 8.230 nan 0.000 0.456 226 G N -0.947 107.903 108.800 0.085 0.000 2.604 226 G HA2 -0.190 3.814 3.960 0.073 0.000 0.205 226 G HA3 -0.190 3.814 3.960 0.073 0.000 0.205 226 G C 0.975 175.976 174.900 0.168 0.000 1.186 226 G CA -0.148 45.025 45.100 0.121 0.000 0.753 226 G HN 0.555 nan 8.290 nan 0.000 0.526 227 G N -0.503 108.414 108.800 0.195 0.000 2.420 227 G HA2 0.393 4.397 3.960 0.073 0.000 0.221 227 G HA3 0.393 4.397 3.960 0.073 0.000 0.221 227 G C 1.391 176.487 174.900 0.327 0.000 1.117 227 G CA 1.208 46.468 45.100 0.267 0.000 0.657 227 G HN 2.915 nan 8.290 nan 0.000 0.512 228 G N -0.780 108.167 108.800 0.244 0.000 2.484 228 G HA2 0.455 4.458 3.960 0.073 0.000 0.225 228 G HA3 0.455 4.458 3.960 0.073 0.000 0.225 228 G C 1.322 176.385 174.900 0.272 0.000 1.250 228 G CA 1.779 47.016 45.100 0.228 0.000 0.926 228 G HN 2.610 nan 8.290 nan 0.000 0.581 229 G N -1.597 107.356 108.800 0.255 0.000 2.160 229 G HA2 0.194 4.198 3.960 0.073 0.000 0.244 229 G HA3 0.194 4.198 3.960 0.073 0.000 0.244 229 G C 0.837 175.895 174.900 0.262 0.000 1.022 229 G CA 1.447 46.710 45.100 0.271 0.000 0.741 229 G HN 2.720 nan 8.290 nan 0.000 0.508 230 T N -2.168 112.544 114.554 0.263 0.000 2.940 230 T HA 0.434 4.828 4.350 0.073 0.000 0.309 230 T C 0.502 175.366 174.700 0.273 0.000 1.056 230 T CA -0.004 62.254 62.100 0.263 0.000 1.137 230 T CB 2.397 71.436 68.868 0.284 0.000 0.976 230 T HN 0.793 nan 8.240 nan 0.000 0.547 231 V N 5.427 125.433 119.914 0.154 0.000 2.218 231 V HA 0.170 4.333 4.120 0.073 0.000 0.261 231 V C 0.796 176.938 176.094 0.080 0.000 1.142 231 V CA -0.842 61.490 62.300 0.053 0.000 0.965 231 V CB -0.648 31.190 31.823 0.025 0.000 1.190 231 V HN 1.070 nan 8.190 nan 0.000 0.478 232 W N 1.426 122.724 121.300 -0.003 0.000 3.278 232 W HA 0.357 5.170 4.660 0.255 0.000 0.308 232 W C 0.116 176.624 176.519 -0.019 0.000 1.253 232 W CA 0.117 57.452 57.345 -0.018 0.000 1.759 232 W CB 0.183 29.636 29.460 -0.011 0.000 1.093 232 W HN 0.559 nan 8.180 nan 0.000 0.648 233 D N 0.979 121.220 120.400 -0.265 0.000 2.583 233 D HA 0.084 4.768 4.640 0.073 0.000 0.123 233 D C -0.067 176.146 176.300 -0.145 0.000 1.382 233 D CA 0.457 54.316 54.000 -0.234 0.000 1.522 233 D CB 0.102 40.588 40.800 -0.524 0.000 1.976 233 D HN -0.257 nan 8.370 nan 0.000 0.191 234 S N 0.405 116.009 115.700 -0.160 0.000 2.585 234 S HA 0.649 5.163 4.470 0.073 0.000 0.273 234 S C 0.277 174.869 174.600 -0.013 0.000 1.339 234 S CA -0.044 58.137 58.200 -0.032 0.000 1.028 234 S CB 0.519 63.709 63.200 -0.018 0.000 0.906 234 S HN 0.435 nan 8.310 nan 0.000 0.528 235 M N -0.157 119.479 119.600 0.060 0.000 2.660 235 M HA 0.771 5.295 4.480 0.073 0.000 0.281 235 M C -1.538 174.857 176.300 0.159 0.000 1.131 235 M CA -1.018 54.332 55.300 0.083 0.000 0.858 235 M CB 1.406 34.036 32.600 0.049 0.000 1.732 235 M HN 0.628 nan 8.290 nan 0.000 0.516 236 A N 1.147 124.098 122.820 0.218 0.000 2.530 236 A HA 0.972 5.335 4.320 0.073 0.000 0.288 236 A C -2.379 175.444 177.584 0.398 0.000 1.172 236 A CA -0.633 51.583 52.037 0.298 0.000 0.733 236 A CB 1.991 21.131 19.000 0.233 0.000 1.320 236 A HN 1.265 nan 8.150 nan 0.000 0.419 237 Y N 0.557 120.980 120.300 0.206 0.000 2.441 237 Y HA 0.569 5.160 4.550 0.068 0.000 0.334 237 Y C -1.945 173.996 175.900 0.068 0.000 1.061 237 Y CA -1.262 56.855 58.100 0.027 0.000 1.032 237 Y CB 1.993 40.280 38.460 -0.289 0.000 1.266 237 Y HN 0.652 nan 8.280 nan 0.000 0.441 238 D N 8.395 128.512 120.400 -0.472 0.000 2.462 238 D HA 0.363 5.047 4.640 0.073 0.000 0.245 238 D C -2.136 173.662 176.300 -0.836 0.000 1.122 238 D CA -2.480 51.251 54.000 -0.450 0.000 0.864 238 D CB 2.405 43.212 40.800 0.011 0.000 1.098 238 D HN 0.385 nan 8.370 nan 0.000 0.541 239 P HA -0.117 nan 4.420 nan 0.000 0.218 239 P C 0.870 178.052 177.300 -0.197 0.000 1.149 239 P CA 0.783 63.533 63.100 -0.583 0.000 0.817 239 P CB 0.773 32.303 31.700 -0.282 0.000 0.785 240 E N 0.151 120.263 120.200 -0.147 0.000 2.072 240 E HA -0.029 4.365 4.350 0.073 0.000 0.191 240 E C 2.204 178.781 176.600 -0.039 0.000 0.985 240 E CA 0.885 57.252 56.400 -0.055 0.000 0.801 240 E CB -0.563 29.121 29.700 -0.028 0.000 0.750 240 E HN 0.384 nan 8.360 nan 0.000 0.452 241 L N 0.415 121.609 121.223 -0.049 0.000 2.509 241 L HA 0.022 4.406 4.340 0.073 0.000 0.222 241 L C 0.233 177.080 176.870 -0.038 0.000 1.123 241 L CA 0.004 54.838 54.840 -0.010 0.000 0.856 241 L CB -0.092 41.999 42.059 0.053 0.000 0.985 241 L HN 0.041 nan 8.230 nan 0.000 0.456 242 D N 1.135 121.491 120.400 -0.073 0.000 2.705 242 D HA -0.198 4.486 4.640 0.073 0.000 0.240 242 D C -0.775 175.488 176.300 -0.062 0.000 1.137 242 D CA 0.677 54.667 54.000 -0.016 0.000 0.677 242 D CB -0.990 39.809 40.800 -0.002 0.000 1.049 242 D HN 0.135 nan 8.370 nan 0.000 0.427 243 L N 0.695 121.831 121.223 -0.145 0.000 2.410 243 L HA 0.521 4.904 4.340 0.073 0.000 0.270 243 L C -0.273 176.317 176.870 -0.467 0.000 0.983 243 L CA -1.302 53.305 54.840 -0.389 0.000 0.822 243 L CB 1.715 43.418 42.059 -0.593 0.000 1.285 243 L HN 0.077 nan 8.230 nan 0.000 0.409 244 L N 3.597 124.552 121.223 -0.446 0.000 2.272 244 L HA 0.463 4.846 4.340 0.073 0.000 0.289 244 L C -1.204 175.359 176.870 -0.511 0.000 1.032 244 L CA 0.132 54.794 54.840 -0.298 0.000 0.810 244 L CB 0.556 42.511 42.059 -0.174 0.000 1.205 244 L HN 0.257 nan 8.230 nan 0.000 0.422 245 Y N 4.347 124.588 120.300 -0.098 0.000 2.330 245 Y HA 0.664 5.255 4.550 0.068 0.000 0.336 245 Y C -0.007 175.816 175.900 -0.128 0.000 1.036 245 Y CA -0.694 57.302 58.100 -0.175 0.000 1.125 245 Y CB 1.645 40.039 38.460 -0.110 0.000 1.194 245 Y HN 0.332 nan 8.280 nan 0.000 0.469 246 V N 2.126 122.011 119.914 -0.049 0.000 2.789 246 V HA 0.741 4.905 4.120 0.073 0.000 0.311 246 V C 0.060 176.125 176.094 -0.048 0.000 1.073 246 V CA -0.996 61.273 62.300 -0.051 0.000 0.921 246 V CB 2.198 33.965 31.823 -0.092 0.000 1.009 246 V HN 0.928 nan 8.190 nan 0.000 0.426 247 G N 1.376 110.148 108.800 -0.047 0.000 2.372 247 G HA2 0.632 4.635 3.960 0.073 0.000 0.323 247 G HA3 0.632 4.635 3.960 0.073 0.000 0.323 247 G C -0.163 174.707 174.900 -0.050 0.000 1.152 247 G CA -0.192 44.877 45.100 -0.052 0.000 0.906 247 G HN 0.817 nan 8.290 nan 0.000 0.460 248 T N -0.251 114.310 114.554 0.011 0.000 2.945 248 T HA 0.767 5.161 4.350 0.073 0.000 0.286 248 T C 0.786 175.539 174.700 0.088 0.000 1.025 248 T CA -0.079 62.066 62.100 0.075 0.000 1.039 248 T CB 1.951 70.913 68.868 0.157 0.000 1.068 248 T HN 0.696 nan 8.240 nan 0.000 0.497 249 G N 1.448 110.348 108.800 0.166 0.000 2.543 249 G HA2 0.426 4.430 3.960 0.073 0.000 0.267 249 G HA3 0.426 4.430 3.960 0.073 0.000 0.267 249 G C 0.105 175.113 174.900 0.180 0.000 1.406 249 G CA -1.071 44.168 45.100 0.232 0.000 1.048 249 G HN 1.068 nan 8.290 nan 0.000 0.548 250 N N -0.308 118.481 118.700 0.148 0.000 2.354 250 N HA 0.310 5.093 4.740 0.073 0.000 0.246 250 N C 0.390 175.943 175.510 0.071 0.000 1.285 250 N CA 0.133 53.203 53.050 0.034 0.000 0.925 250 N CB 0.588 38.990 38.487 -0.141 0.000 1.174 250 N HN 0.561 nan 8.380 nan 0.000 0.478 251 G N -1.048 107.771 108.800 0.032 0.000 2.537 251 G HA2 0.372 4.375 3.960 0.073 0.000 0.273 251 G HA3 0.372 4.375 3.960 0.073 0.000 0.273 251 G C -0.937 174.048 174.900 0.141 0.000 1.189 251 G CA -0.563 44.600 45.100 0.105 0.000 0.881 251 G HN 0.510 nan 8.290 nan 0.000 0.535 252 S N 2.136 117.929 115.700 0.155 0.000 2.640 252 S HA 0.487 5.001 4.470 0.073 0.000 0.320 252 S C -2.439 172.198 174.600 0.062 0.000 1.097 252 S CA -0.660 57.600 58.200 0.101 0.000 1.092 252 S CB 2.206 65.460 63.200 0.090 0.000 0.988 252 S HN 0.378 nan 8.310 nan 0.000 0.470 253 P HA 0.230 nan 4.420 nan 0.000 0.277 253 P C 0.388 177.711 177.300 0.039 0.000 1.276 253 P CA -0.562 62.473 63.100 -0.107 0.000 0.788 253 P CB 0.416 31.891 31.700 -0.375 0.000 1.114 254 W N -0.606 120.572 121.300 -0.204 0.000 2.355 254 W HA -0.056 4.653 4.660 0.081 0.000 0.309 254 W C 0.974 177.336 176.519 -0.262 0.000 1.206 254 W CA 0.837 58.055 57.345 -0.211 0.000 1.284 254 W CB -1.993 27.363 29.460 -0.172 0.000 1.145 254 W HN 0.374 nan 8.180 nan 0.000 0.502 255 N N 1.615 120.334 118.700 0.032 0.000 2.406 255 N HA -0.019 4.765 4.740 0.073 0.000 0.265 255 N C 1.474 176.845 175.510 -0.233 0.000 1.203 255 N CA -0.188 52.802 53.050 -0.101 0.000 0.945 255 N CB 0.482 38.959 38.487 -0.017 0.000 1.165 255 N HN 0.021 nan 8.380 nan 0.000 0.485 256 R N 2.703 123.002 120.500 -0.334 0.000 2.159 256 R HA -0.129 4.255 4.340 0.073 0.000 0.237 256 R C 0.954 177.105 176.300 -0.249 0.000 1.131 256 R CA 1.109 57.025 56.100 -0.307 0.000 0.982 256 R CB 0.142 30.213 30.300 -0.381 0.000 0.868 256 R HN 0.655 nan 8.270 nan 0.000 0.453 257 E N -0.092 119.945 120.200 -0.272 0.000 2.267 257 E HA -0.136 4.258 4.350 0.073 0.000 0.197 257 E C 1.741 178.251 176.600 -0.151 0.000 0.998 257 E CA 1.045 57.324 56.400 -0.202 0.000 0.830 257 E CB 0.213 29.785 29.700 -0.213 0.000 0.751 257 E HN 0.247 nan 8.360 nan 0.000 0.491 258 V N -0.059 119.743 119.914 -0.186 0.000 2.788 258 V HA 0.004 4.167 4.120 0.073 0.000 0.241 258 V C 2.418 178.416 176.094 -0.160 0.000 1.083 258 V CA 0.744 62.924 62.300 -0.199 0.000 1.103 258 V CB -0.211 31.369 31.823 -0.405 0.000 0.800 258 V HN 0.085 nan 8.190 nan 0.000 0.476 259 R N 0.568 120.975 120.500 -0.155 0.000 2.073 259 R HA -0.083 4.300 4.340 0.073 0.000 0.234 259 R C 1.151 177.498 176.300 0.078 0.000 1.134 259 R CA 1.772 57.854 56.100 -0.030 0.000 0.952 259 R CB -0.077 30.211 30.300 -0.021 0.000 0.850 259 R HN 0.410 nan 8.270 nan 0.000 0.433 260 S N -0.338 115.354 115.700 -0.013 0.000 2.293 260 S HA 0.322 4.836 4.470 0.073 0.000 0.154 260 S C -2.250 172.319 174.600 -0.052 0.000 1.602 260 S CA -1.543 56.666 58.200 0.016 0.000 1.260 260 S CB 1.388 64.522 63.200 -0.109 0.000 1.270 260 S HN 0.042 nan 8.310 nan 0.000 0.416 261 P HA -0.125 nan 4.420 nan 0.000 0.217 261 P C 1.511 178.783 177.300 -0.048 0.000 1.158 261 P CA 1.645 64.717 63.100 -0.047 0.000 0.887 261 P CB -0.011 31.677 31.700 -0.021 0.000 0.792 262 G N -2.300 106.488 108.800 -0.020 0.000 2.776 262 G HA2 0.296 4.299 3.960 0.073 0.000 0.209 262 G HA3 0.296 4.299 3.960 0.073 0.000 0.209 262 G C 0.785 175.654 174.900 -0.051 0.000 1.145 262 G CA 0.563 45.651 45.100 -0.021 0.000 0.791 262 G HN 0.651 nan 8.290 nan 0.000 0.530 263 G N -1.472 107.274 108.800 -0.091 0.000 2.482 263 G HA2 0.477 4.480 3.960 0.073 0.000 0.214 263 G HA3 0.477 4.480 3.960 0.073 0.000 0.214 263 G C 0.328 175.122 174.900 -0.177 0.000 1.271 263 G CA 0.231 45.252 45.100 -0.132 0.000 0.944 263 G HN 2.273 nan 8.290 nan 0.000 0.568 264 G N -1.835 106.856 108.800 -0.182 0.000 2.617 264 G HA2 0.363 4.367 3.960 0.073 0.000 0.686 264 G HA3 0.363 4.367 3.960 0.073 0.000 0.686 264 G C 0.046 174.754 174.900 -0.319 0.000 1.214 264 G CA 0.627 45.587 45.100 -0.235 0.000 0.796 264 G HN 1.252 nan 8.290 nan 0.000 0.654 265 D N 0.598 120.822 120.400 -0.294 0.000 2.219 265 D HA -0.019 4.664 4.640 0.073 0.000 0.205 265 D C 1.368 177.382 176.300 -0.477 0.000 0.970 265 D CA 1.248 55.076 54.000 -0.287 0.000 0.851 265 D CB -0.132 40.557 40.800 -0.185 0.000 0.943 265 D HN 0.637 nan 8.370 nan 0.000 0.488 266 N N 0.146 118.362 118.700 -0.807 0.000 2.708 266 N HA -0.185 4.598 4.740 0.073 0.000 0.255 266 N C -0.639 174.502 175.510 -0.615 0.000 1.046 266 N CA 0.232 52.357 53.050 -1.542 0.000 0.715 266 N CB -1.695 35.723 38.487 -1.782 0.000 0.895 266 N HN 0.312 nan 8.380 nan 0.000 0.545 267 L N 0.060 121.098 121.223 -0.308 0.000 2.456 267 L HA 0.003 4.386 4.340 0.073 0.000 0.272 267 L C 0.806 177.675 176.870 -0.002 0.000 1.189 267 L CA 0.188 54.852 54.840 -0.292 0.000 0.846 267 L CB 0.128 41.728 42.059 -0.766 0.000 1.111 267 L HN 0.223 nan 8.230 nan 0.000 0.475 268 Y N 2.856 123.327 120.300 0.284 0.000 2.839 268 Y HA 0.327 4.920 4.550 0.071 0.000 0.361 268 Y C 0.317 176.317 175.900 0.166 0.000 1.008 268 Y CA -0.502 57.696 58.100 0.163 0.000 1.534 268 Y CB -0.117 38.448 38.460 0.175 0.000 1.395 268 Y HN 0.362 nan 8.280 nan 0.000 0.534 269 L N 0.250 121.607 121.223 0.223 0.000 2.483 269 L HA -0.016 4.368 4.340 0.073 0.000 0.276 269 L C 1.338 178.280 176.870 0.119 0.000 1.213 269 L CA -0.029 54.911 54.840 0.167 0.000 0.843 269 L CB 0.451 42.546 42.059 0.061 0.000 1.107 269 L HN 0.392 nan 8.230 nan 0.000 0.487 270 S N 1.192 116.962 115.700 0.117 0.000 3.336 270 S HA -0.163 4.351 4.470 0.073 0.000 0.362 270 S C -0.128 174.517 174.600 0.075 0.000 0.941 270 S CA 0.361 58.617 58.200 0.092 0.000 1.297 270 S CB -0.572 62.683 63.200 0.092 0.000 0.915 270 S HN 0.729 nan 8.310 nan 0.000 0.527 271 S N 1.529 117.294 115.700 0.107 0.000 2.632 271 S HA 0.728 5.241 4.470 0.073 0.000 0.289 271 S C -0.374 174.291 174.600 0.108 0.000 1.115 271 S CA -0.855 57.423 58.200 0.129 0.000 0.889 271 S CB 1.536 64.888 63.200 0.255 0.000 1.116 271 S HN 0.461 nan 8.310 nan 0.000 0.486 272 I N 2.188 122.850 120.570 0.153 0.000 2.339 272 I HA 0.382 4.596 4.170 0.073 0.000 0.290 272 I C -1.047 175.088 176.117 0.029 0.000 0.994 272 I CA -0.425 60.940 61.300 0.110 0.000 1.191 272 I CB 0.851 38.976 38.000 0.208 0.000 1.343 272 I HN 0.284 nan 8.210 nan 0.000 0.458 273 L N 6.049 127.179 121.223 -0.155 0.000 2.317 273 L HA 0.732 5.116 4.340 0.073 0.000 0.281 273 L C 0.094 176.592 176.870 -0.620 0.000 1.024 273 L CA -0.750 53.857 54.840 -0.387 0.000 0.810 273 L CB 1.796 43.573 42.059 -0.471 0.000 1.240 273 L HN 0.605 nan 8.230 nan 0.000 0.427 274 A N 5.091 127.323 122.820 -0.980 0.000 2.256 274 A HA 0.761 5.125 4.320 0.073 0.000 0.317 274 A C -0.559 176.535 177.584 -0.816 0.000 1.318 274 A CA -0.315 51.036 52.037 -1.145 0.000 0.894 274 A CB 0.193 17.991 19.000 -2.003 0.000 1.165 274 A HN 0.650 nan 8.150 nan 0.000 0.525 275 I N 1.326 121.480 120.570 -0.692 0.000 2.603 275 I HA 0.414 4.628 4.170 0.073 0.000 0.300 275 I C 0.260 176.086 176.117 -0.485 0.000 1.017 275 I CA -1.026 59.911 61.300 -0.605 0.000 1.098 275 I CB 1.959 39.569 38.000 -0.650 0.000 1.279 275 I HN 0.556 nan 8.210 nan 0.000 0.437 276 R N 6.960 127.187 120.500 -0.455 0.000 2.291 276 R HA 0.177 4.561 4.340 0.073 0.000 0.333 276 R C -1.564 174.518 176.300 -0.364 0.000 1.082 276 R CA -1.701 54.194 56.100 -0.343 0.000 0.948 276 R CB 0.399 30.520 30.300 -0.298 0.000 1.009 276 R HN 0.316 nan 8.270 nan 0.000 0.460 277 P HA -0.199 nan 4.420 nan 0.000 0.217 277 P C -0.100 177.251 177.300 0.085 0.000 1.148 277 P CA 1.275 64.358 63.100 -0.029 0.000 0.828 277 P CB 0.439 32.069 31.700 -0.118 0.000 0.783 278 D N -0.672 119.700 120.400 -0.046 0.000 2.183 278 D HA -0.073 4.611 4.640 0.073 0.000 0.203 278 D C 1.993 178.256 176.300 -0.060 0.000 0.969 278 D CA 2.052 56.047 54.000 -0.007 0.000 0.842 278 D CB -0.516 40.259 40.800 -0.041 0.000 0.957 278 D HN 0.348 nan 8.370 nan 0.000 0.484 279 T N -4.952 109.411 114.554 -0.317 0.000 2.955 279 T HA 0.379 4.773 4.350 0.073 0.000 0.251 279 T C 1.660 175.776 174.700 -0.974 0.000 1.002 279 T CA 0.633 62.470 62.100 -0.439 0.000 0.970 279 T CB 1.009 69.709 68.868 -0.280 0.000 1.091 279 T HN 0.147 nan 8.240 nan 0.000 0.495 280 G N 1.737 109.616 108.800 -1.535 0.000 2.157 280 G HA2 -0.246 3.758 3.960 0.073 0.000 0.248 280 G HA3 -0.246 3.758 3.960 0.073 0.000 0.248 280 G C -0.093 174.308 174.900 -0.832 0.000 0.979 280 G CA 0.230 44.157 45.100 -1.955 0.000 0.650 280 G HN 0.845 nan 8.290 nan 0.000 0.529 281 K N 0.298 120.355 120.400 -0.572 0.000 2.249 281 K HA 0.565 4.929 4.320 0.073 0.000 0.280 281 K C 0.395 176.802 176.600 -0.322 0.000 1.033 281 K CA -0.890 55.215 56.287 -0.304 0.000 0.946 281 K CB 0.509 32.880 32.500 -0.214 0.000 1.005 281 K HN 0.168 nan 8.250 nan 0.000 0.469 282 L N 4.596 125.699 121.223 -0.198 0.000 2.360 282 L HA 0.179 4.563 4.340 0.073 0.000 0.276 282 L C 0.556 177.326 176.870 -0.167 0.000 1.121 282 L CA 0.759 55.431 54.840 -0.280 0.000 0.845 282 L CB 1.117 43.074 42.059 -0.169 0.000 1.143 282 L HN 0.877 nan 8.230 nan 0.000 0.452 283 A N 6.323 129.006 122.820 -0.227 0.000 1.924 283 A HA 0.265 4.629 4.320 0.073 0.000 0.211 283 A C 0.128 177.789 177.584 0.129 0.000 1.198 283 A CA 0.788 52.780 52.037 -0.075 0.000 0.657 283 A CB -0.021 18.901 19.000 -0.129 0.000 0.852 283 A HN 0.833 nan 8.150 nan 0.000 0.454 284 W N -1.188 120.102 121.300 -0.017 0.000 3.059 284 W HA 0.577 5.280 4.660 0.071 0.000 0.329 284 W C -1.590 174.985 176.519 0.093 0.000 1.246 284 W CA -0.220 57.155 57.345 0.051 0.000 1.190 284 W CB 0.082 29.559 29.460 0.030 0.000 1.423 284 W HN 0.430 nan 8.180 nan 0.000 0.571 285 H N -0.067 119.342 119.070 0.565 0.000 2.980 285 H HA 0.606 5.205 4.556 0.070 0.000 0.367 285 H C -2.531 173.163 175.328 0.611 0.000 1.206 285 H CA -0.795 55.513 56.048 0.433 0.000 1.126 285 H CB 2.779 32.669 29.762 0.213 0.000 1.838 285 H HN 0.586 nan 8.280 nan 0.000 0.552 286 Y N 1.609 122.089 120.300 0.300 0.000 2.361 286 Y HA 0.212 4.802 4.550 0.067 0.000 0.328 286 Y C -0.881 175.130 175.900 0.186 0.000 1.044 286 Y CA -0.648 57.525 58.100 0.122 0.000 1.085 286 Y CB 1.986 40.530 38.460 0.140 0.000 1.194 286 Y HN 0.819 nan 8.280 nan 0.000 0.438 287 Q N 5.321 124.823 119.800 -0.496 0.000 2.337 287 Q HA 0.336 4.720 4.340 0.073 0.000 0.255 287 Q C -0.219 175.422 176.000 -0.598 0.000 0.997 287 Q CA -0.214 55.407 55.803 -0.303 0.000 0.925 287 Q CB 1.246 29.933 28.738 -0.085 0.000 1.212 287 Q HN 0.879 nan 8.270 nan 0.000 0.436 288 V N 2.955 122.686 119.914 -0.305 0.000 2.358 288 V HA -0.100 4.063 4.120 0.073 0.000 0.246 288 V C 0.623 176.741 176.094 0.041 0.000 1.047 288 V CA 1.696 63.875 62.300 -0.202 0.000 1.035 288 V CB 0.211 31.933 31.823 -0.169 0.000 0.658 288 V HN 0.799 nan 8.190 nan 0.000 0.452 289 T N 1.025 115.630 114.554 0.084 0.000 3.141 289 T HA 0.340 4.733 4.350 0.073 0.000 0.377 289 T C -2.715 172.066 174.700 0.134 0.000 1.258 289 T CA -0.995 61.236 62.100 0.218 0.000 1.263 289 T CB 1.421 70.450 68.868 0.268 0.000 1.066 289 T HN 0.112 nan 8.240 nan 0.000 0.546 290 P HA 0.213 nan 4.420 nan 0.000 0.265 290 P C 1.128 178.425 177.300 -0.006 0.000 1.193 290 P CA 0.840 63.948 63.100 0.013 0.000 0.765 290 P CB 0.328 32.039 31.700 0.019 0.000 0.823 291 G N 2.410 111.115 108.800 -0.158 0.000 2.258 291 G HA2 -0.314 3.690 3.960 0.073 0.000 0.274 291 G HA3 -0.314 3.690 3.960 0.073 0.000 0.274 291 G C 0.138 174.843 174.900 -0.324 0.000 1.021 291 G CA 0.282 45.224 45.100 -0.264 0.000 0.798 291 G HN 0.732 nan 8.290 nan 0.000 0.507 292 D N -0.322 119.945 120.400 -0.222 0.000 2.923 292 D HA 0.186 4.870 4.640 0.073 0.000 0.220 292 D C 0.982 176.913 176.300 -0.615 0.000 1.099 292 D CA 1.413 55.245 54.000 -0.280 0.000 0.807 292 D CB 0.258 40.999 40.800 -0.098 0.000 1.155 292 D HN 0.153 nan 8.370 nan 0.000 0.524 293 S N 3.862 118.805 115.700 -1.263 0.000 2.952 293 S HA 0.213 4.727 4.470 0.073 0.000 0.251 293 S C -0.344 173.442 174.600 -1.357 0.000 1.021 293 S CA -0.735 56.719 58.200 -1.244 0.000 1.067 293 S CB -0.012 62.340 63.200 -1.413 0.000 1.002 293 S HN 0.657 nan 8.310 nan 0.000 0.574 294 W N 0.832 121.708 121.300 -0.706 0.000 2.284 294 W HA 0.314 5.014 4.660 0.066 0.000 0.334 294 W C 0.363 176.297 176.519 -0.975 0.000 0.917 294 W CA -0.417 56.257 57.345 -1.118 0.000 1.621 294 W CB -0.089 28.120 29.460 -2.085 0.000 1.129 294 W HN 0.417 nan 8.180 nan 0.000 0.528 295 D N 0.609 120.523 120.400 -0.810 0.000 3.017 295 D HA -0.222 4.462 4.640 0.073 0.000 0.220 295 D C -0.426 175.722 176.300 -0.253 0.000 1.141 295 D CA 0.704 54.096 54.000 -1.012 0.000 0.848 295 D CB -1.803 37.889 40.800 -1.847 0.000 1.102 295 D HN 0.199 nan 8.370 nan 0.000 0.427 296 F N 1.483 121.302 119.950 -0.218 0.000 2.462 296 F HA 0.185 4.756 4.527 0.073 0.000 0.354 296 F C 1.682 177.465 175.800 -0.029 0.000 1.192 296 F CA -0.226 57.717 58.000 -0.095 0.000 1.173 296 F CB 0.270 39.210 39.000 -0.101 0.000 1.402 296 F HN -0.048 nan 8.300 nan 0.000 0.595 297 T N 0.016 114.692 114.554 0.202 0.000 2.788 297 T HA 0.508 4.902 4.350 0.073 0.000 0.287 297 T C 0.464 175.223 174.700 0.099 0.000 1.007 297 T CA -0.548 61.653 62.100 0.167 0.000 1.005 297 T CB 2.026 71.053 68.868 0.265 0.000 1.012 297 T HN 0.550 nan 8.240 nan 0.000 0.530 298 A N 0.583 123.429 122.820 0.043 0.000 2.674 298 A HA 0.436 4.800 4.320 0.073 0.000 0.286 298 A C 1.350 178.889 177.584 -0.076 0.000 0.980 298 A CA -0.004 52.033 52.037 -0.000 0.000 1.028 298 A CB -0.392 18.616 19.000 0.013 0.000 1.199 298 A HN 0.988 nan 8.150 nan 0.000 0.499 299 T N -3.077 111.366 114.554 -0.185 0.000 3.086 299 T HA 0.204 4.598 4.350 0.073 0.000 0.250 299 T C 0.651 175.127 174.700 -0.374 0.000 1.074 299 T CA -0.031 61.829 62.100 -0.400 0.000 0.988 299 T CB -0.091 68.194 68.868 -0.972 0.000 0.988 299 T HN 0.290 nan 8.240 nan 0.000 0.530 300 Q N 1.920 121.589 119.800 -0.218 0.000 2.535 300 Q HA 0.254 4.638 4.340 0.073 0.000 0.228 300 Q C 0.196 176.163 176.000 -0.055 0.000 1.062 300 Q CA -0.120 55.588 55.803 -0.158 0.000 0.967 300 Q CB 0.216 28.885 28.738 -0.115 0.000 1.273 300 Q HN 0.546 nan 8.270 nan 0.000 0.554 301 Q N 0.772 120.594 119.800 0.036 0.000 2.308 301 Q HA -0.004 4.380 4.340 0.073 0.000 0.313 301 Q C -1.004 175.024 176.000 0.046 0.000 1.075 301 Q CA 0.452 56.310 55.803 0.093 0.000 0.995 301 Q CB 0.173 29.021 28.738 0.184 0.000 1.107 301 Q HN 0.486 nan 8.270 nan 0.000 0.380 302 I N 4.362 124.955 120.570 0.038 0.000 2.328 302 I HA 0.227 4.441 4.170 0.073 0.000 0.287 302 I C -0.458 175.661 176.117 0.003 0.000 1.012 302 I CA -0.422 60.875 61.300 -0.005 0.000 1.195 302 I CB 1.733 39.735 38.000 0.003 0.000 1.350 302 I HN 0.528 nan 8.210 nan 0.000 0.464 303 T N 7.209 121.737 114.554 -0.042 0.000 2.797 303 T HA 0.562 4.956 4.350 0.073 0.000 0.279 303 T C -0.105 174.523 174.700 -0.120 0.000 0.991 303 T CA -0.517 61.562 62.100 -0.036 0.000 0.979 303 T CB 1.190 70.053 68.868 -0.007 0.000 0.943 303 T HN 0.261 nan 8.240 nan 0.000 0.444 304 L N 2.596 123.764 121.223 -0.092 0.000 2.325 304 L HA 0.884 5.268 4.340 0.073 0.000 0.279 304 L C 0.295 177.084 176.870 -0.135 0.000 1.054 304 L CA -0.745 54.016 54.840 -0.133 0.000 0.804 304 L CB 1.136 43.147 42.059 -0.081 0.000 1.200 304 L HN 0.780 nan 8.230 nan 0.000 0.436 305 A N 2.276 124.990 122.820 -0.176 0.000 2.564 305 A HA 0.720 5.084 4.320 0.073 0.000 0.291 305 A C -1.676 175.838 177.584 -0.117 0.000 1.102 305 A CA -0.662 51.263 52.037 -0.188 0.000 0.660 305 A CB 1.622 20.279 19.000 -0.573 0.000 1.283 305 A HN 0.593 nan 8.150 nan 0.000 0.430 306 E N 0.327 120.498 120.200 -0.048 0.000 2.155 306 E HA 0.687 5.081 4.350 0.073 0.000 0.264 306 E C -1.163 175.434 176.600 -0.006 0.000 0.886 306 E CA -0.002 56.386 56.400 -0.020 0.000 0.752 306 E CB 1.499 31.207 29.700 0.013 0.000 1.133 306 E HN 0.520 nan 8.360 nan 0.000 0.414 307 L N 2.211 123.417 121.223 -0.028 0.000 2.333 307 L HA 0.548 4.932 4.340 0.073 0.000 0.263 307 L C -0.351 176.509 176.870 -0.016 0.000 1.014 307 L CA -1.261 53.571 54.840 -0.014 0.000 0.820 307 L CB 1.857 43.894 42.059 -0.038 0.000 1.352 307 L HN 0.310 nan 8.230 nan 0.000 0.421 308 N N 1.770 120.463 118.700 -0.012 0.000 2.462 308 N HA 0.426 5.210 4.740 0.073 0.000 0.242 308 N C -1.134 174.360 175.510 -0.027 0.000 1.010 308 N CA -0.259 52.780 53.050 -0.018 0.000 0.939 308 N CB 0.638 39.117 38.487 -0.014 0.000 1.127 308 N HN 0.291 nan 8.380 nan 0.000 0.509 309 I N 2.063 122.614 120.570 -0.031 0.000 2.362 309 I HA 0.232 4.446 4.170 0.073 0.000 0.289 309 I C 0.068 176.165 176.117 -0.033 0.000 0.994 309 I CA -0.417 60.862 61.300 -0.035 0.000 1.158 309 I CB 1.264 39.241 38.000 -0.038 0.000 1.315 309 I HN 0.542 nan 8.210 nan 0.000 0.451 310 D N 5.336 125.715 120.400 -0.034 0.000 2.708 310 D HA -0.192 4.492 4.640 0.073 0.000 0.236 310 D C 1.248 177.531 176.300 -0.028 0.000 1.146 310 D CA 1.385 55.366 54.000 -0.032 0.000 0.662 310 D CB -0.874 39.907 40.800 -0.031 0.000 1.059 310 D HN 1.146 nan 8.370 nan 0.000 0.428 311 G N -0.939 107.845 108.800 -0.027 0.000 2.162 311 G HA2 -0.344 3.660 3.960 0.073 0.000 0.260 311 G HA3 -0.344 3.660 3.960 0.073 0.000 0.260 311 G C 0.162 175.050 174.900 -0.020 0.000 0.976 311 G CA 0.716 45.803 45.100 -0.022 0.000 0.655 311 G HN 0.339 nan 8.290 nan 0.000 0.533 312 K N 0.815 121.201 120.400 -0.023 0.000 2.345 312 K HA 0.474 4.838 4.320 0.073 0.000 0.255 312 K C -2.685 173.902 176.600 -0.022 0.000 0.934 312 K CA -2.274 54.000 56.287 -0.021 0.000 0.801 312 K CB 2.728 35.213 32.500 -0.024 0.000 1.137 312 K HN 0.098 nan 8.250 nan 0.000 0.424 313 P HA 0.136 nan 4.420 nan 0.000 0.271 313 P C -0.537 176.750 177.300 -0.022 0.000 1.233 313 P CA -0.225 62.866 63.100 -0.016 0.000 0.764 313 P CB 0.665 32.359 31.700 -0.009 0.000 0.825 314 R N 3.063 123.546 120.500 -0.028 0.000 2.670 314 R HA 0.393 4.777 4.340 0.073 0.000 0.289 314 R C 0.174 176.449 176.300 -0.042 0.000 0.965 314 R CA -1.011 55.065 56.100 -0.039 0.000 0.899 314 R CB 1.753 32.023 30.300 -0.050 0.000 1.173 314 R HN 0.426 nan 8.270 nan 0.000 0.456 315 K N 2.028 122.402 120.400 -0.043 0.000 2.257 315 K HA 0.230 4.593 4.320 0.073 0.000 0.270 315 K C 0.371 176.931 176.600 -0.068 0.000 1.098 315 K CA -0.373 55.889 56.287 -0.041 0.000 0.943 315 K CB 0.933 33.424 32.500 -0.016 0.000 1.316 315 K HN 0.427 nan 8.250 nan 0.000 0.447 316 V N 1.082 120.939 119.914 -0.094 0.000 3.193 316 V HA 0.650 4.814 4.120 0.073 0.000 0.320 316 V C -0.671 175.325 176.094 -0.164 0.000 1.112 316 V CA -1.114 61.112 62.300 -0.123 0.000 1.026 316 V CB 1.599 33.352 31.823 -0.117 0.000 1.128 316 V HN 0.649 nan 8.190 nan 0.000 0.452 317 L N 2.144 123.263 121.223 -0.174 0.000 2.409 317 L HA 0.727 5.111 4.340 0.073 0.000 0.272 317 L C -0.797 175.971 176.870 -0.170 0.000 0.980 317 L CA -0.569 54.142 54.840 -0.215 0.000 0.826 317 L CB 1.854 43.763 42.059 -0.251 0.000 1.268 317 L HN 0.849 nan 8.230 nan 0.000 0.407 318 M N 4.645 124.134 119.600 -0.185 0.000 2.535 318 M HA 0.560 5.083 4.480 0.073 0.000 0.314 318 M C -1.055 175.074 176.300 -0.285 0.000 1.153 318 M CA -0.465 54.691 55.300 -0.241 0.000 0.924 318 M CB 2.205 34.698 32.600 -0.179 0.000 1.710 318 M HN 0.581 nan 8.290 nan 0.000 0.451 319 Q N 1.098 120.632 119.800 -0.443 0.000 2.386 319 Q HA 0.698 5.082 4.340 0.073 0.000 0.274 319 Q C -2.086 173.665 176.000 -0.416 0.000 1.011 319 Q CA -0.523 55.099 55.803 -0.301 0.000 0.867 319 Q CB 2.545 31.218 28.738 -0.108 0.000 1.409 319 Q HN 0.897 nan 8.270 nan 0.000 0.395 320 A N 4.962 127.634 122.820 -0.246 0.000 2.978 320 A HA 0.510 4.874 4.320 0.073 0.000 0.341 320 A C -2.561 175.184 177.584 0.269 0.000 1.105 320 A CA -1.281 50.651 52.037 -0.175 0.000 0.819 320 A CB 0.464 19.064 19.000 -0.668 0.000 1.080 320 A HN 0.524 nan 8.150 nan 0.000 0.476 321 P HA 0.121 nan 4.420 nan 0.000 0.286 321 P C 0.573 178.044 177.300 0.284 0.000 1.293 321 P CA -0.214 63.034 63.100 0.247 0.000 0.770 321 P CB 0.959 32.761 31.700 0.171 0.000 1.206 322 K N 0.209 120.681 120.400 0.119 0.000 2.113 322 K HA -0.184 4.179 4.320 0.073 0.000 0.208 322 K C 1.630 178.023 176.600 -0.346 0.000 1.047 322 K CA 2.089 58.378 56.287 0.003 0.000 0.928 322 K CB -0.659 31.856 32.500 0.024 0.000 0.716 322 K HN 0.533 nan 8.250 nan 0.000 0.446 323 N N 0.066 118.461 118.700 -0.507 0.000 2.585 323 N HA -0.100 4.684 4.740 0.073 0.000 0.188 323 N C 1.059 176.507 175.510 -0.103 0.000 1.102 323 N CA 1.447 54.043 53.050 -0.757 0.000 0.920 323 N CB -0.092 38.271 38.487 -0.208 0.000 0.963 323 N HN 0.296 nan 8.380 nan 0.000 0.447 324 G N -2.005 106.726 108.800 -0.114 0.000 2.175 324 G HA2 -0.233 3.770 3.960 0.073 0.000 0.244 324 G HA3 -0.233 3.770 3.960 0.073 0.000 0.244 324 G C -0.300 174.186 174.900 -0.691 0.000 0.982 324 G CA 0.027 44.756 45.100 -0.619 0.000 0.641 324 G HN 0.316 nan 8.290 nan 0.000 0.527 325 F N -0.169 119.820 119.950 0.066 0.000 2.422 325 F HA 0.708 5.275 4.527 0.067 0.000 0.333 325 F C 0.230 176.138 175.800 0.180 0.000 1.095 325 F CA -1.220 56.776 58.000 -0.006 0.000 1.038 325 F CB 1.269 40.087 39.000 -0.303 0.000 1.156 325 F HN 0.022 nan 8.300 nan 0.000 0.483 326 F N 3.657 123.677 119.950 0.116 0.000 2.385 326 F HA 0.452 5.026 4.527 0.079 0.000 0.360 326 F C -1.248 174.494 175.800 -0.097 0.000 1.122 326 F CA -0.948 57.035 58.000 -0.027 0.000 1.090 326 F CB 0.200 39.014 39.000 -0.310 0.000 1.150 326 F HN 0.258 nan 8.300 nan 0.000 0.472 327 Y N 4.576 124.727 120.300 -0.249 0.000 2.342 327 Y HA 0.594 5.186 4.550 0.070 0.000 0.334 327 Y C -0.514 175.267 175.900 -0.198 0.000 1.067 327 Y CA -1.044 56.976 58.100 -0.133 0.000 1.128 327 Y CB 1.601 39.988 38.460 -0.122 0.000 1.200 327 Y HN 0.239 nan 8.280 nan 0.000 0.464 328 V N 5.703 125.656 119.914 0.064 0.000 2.409 328 V HA 0.434 4.598 4.120 0.073 0.000 0.290 328 V C -0.462 175.584 176.094 -0.080 0.000 1.017 328 V CA -0.786 61.523 62.300 0.014 0.000 0.841 328 V CB 1.016 32.891 31.823 0.087 0.000 1.003 328 V HN 0.608 nan 8.190 nan 0.000 0.426 329 L N 2.704 123.844 121.223 -0.139 0.000 2.319 329 L HA 0.642 5.025 4.340 0.073 0.000 0.267 329 L C -0.135 176.607 176.870 -0.214 0.000 1.011 329 L CA -0.761 53.940 54.840 -0.231 0.000 0.818 329 L CB 2.017 43.898 42.059 -0.297 0.000 1.316 329 L HN 0.482 nan 8.230 nan 0.000 0.432 330 D N 1.377 121.616 120.400 -0.268 0.000 2.336 330 D HA 0.044 4.727 4.640 0.073 0.000 0.249 330 D C 0.995 177.144 176.300 -0.252 0.000 1.213 330 D CA -0.295 53.573 54.000 -0.221 0.000 0.870 330 D CB 1.117 41.783 40.800 -0.224 0.000 1.076 330 D HN 0.556 nan 8.370 nan 0.000 0.483 331 R N 1.607 122.048 120.500 -0.098 0.000 2.316 331 R HA -0.078 4.306 4.340 0.073 0.000 0.202 331 R C 1.416 177.918 176.300 0.337 0.000 1.029 331 R CA 1.221 57.391 56.100 0.115 0.000 1.018 331 R CB -0.437 29.839 30.300 -0.039 0.000 0.888 331 R HN 0.357 nan 8.270 nan 0.000 0.471 332 T N -1.528 113.084 114.554 0.097 0.000 2.978 332 T HA -0.053 4.341 4.350 0.073 0.000 0.262 332 T C 1.322 176.056 174.700 0.056 0.000 1.063 332 T CA 0.898 63.081 62.100 0.139 0.000 1.140 332 T CB -0.299 68.593 68.868 0.039 0.000 0.886 332 T HN 0.696 nan 8.240 nan 0.000 0.470 333 N N -0.682 117.827 118.700 -0.318 0.000 2.118 333 N HA 0.333 5.117 4.740 0.073 0.000 0.226 333 N C 1.413 176.173 175.510 -1.250 0.000 1.305 333 N CA 0.003 52.726 53.050 -0.544 0.000 0.890 333 N CB 0.636 38.968 38.487 -0.258 0.000 1.118 333 N HN 0.459 nan 8.380 nan 0.000 0.511 334 G N 1.563 109.239 108.800 -1.874 0.000 2.159 334 G HA2 -0.308 3.696 3.960 0.073 0.000 0.256 334 G HA3 -0.308 3.696 3.960 0.073 0.000 0.256 334 G C -0.296 174.102 174.900 -0.836 0.000 0.977 334 G CA 0.072 43.925 45.100 -2.077 0.000 0.652 334 G HN 0.353 nan 8.290 nan 0.000 0.531 335 K N -0.038 120.024 120.400 -0.564 0.000 2.401 335 K HA 0.387 4.751 4.320 0.073 0.000 0.278 335 K C 0.361 176.767 176.600 -0.324 0.000 1.018 335 K CA -0.631 55.459 56.287 -0.329 0.000 0.981 335 K CB 1.309 33.670 32.500 -0.231 0.000 0.933 335 K HN 0.205 nan 8.250 nan 0.000 0.477 336 L N 4.422 125.483 121.223 -0.269 0.000 2.360 336 L HA 0.084 4.468 4.340 0.073 0.000 0.276 336 L C 0.630 177.402 176.870 -0.163 0.000 1.121 336 L CA 0.662 55.336 54.840 -0.277 0.000 0.845 336 L CB 0.319 42.239 42.059 -0.232 0.000 1.143 336 L HN 0.680 nan 8.230 nan 0.000 0.452 337 I N 2.278 122.764 120.570 -0.141 0.000 2.810 337 I HA 0.106 4.320 4.170 0.073 0.000 0.262 337 I C 0.434 176.522 176.117 -0.050 0.000 1.131 337 I CA 0.745 61.992 61.300 -0.088 0.000 1.453 337 I CB 0.059 38.011 38.000 -0.080 0.000 1.161 337 I HN 0.805 nan 8.210 nan 0.000 0.444 338 S N 0.116 115.796 115.700 -0.032 0.000 2.578 338 S HA 0.795 5.309 4.470 0.073 0.000 0.272 338 S C -1.104 173.501 174.600 0.009 0.000 1.145 338 S CA -0.507 57.696 58.200 0.004 0.000 0.835 338 S CB 2.193 65.416 63.200 0.039 0.000 1.104 338 S HN 0.189 nan 8.310 nan 0.000 0.458 339 A N 1.352 124.172 122.820 -0.001 0.000 2.509 339 A HA 0.741 5.105 4.320 0.073 0.000 0.282 339 A C -1.172 176.462 177.584 0.083 0.000 1.054 339 A CA -0.548 51.430 52.037 -0.099 0.000 0.820 339 A CB 1.124 19.933 19.000 -0.317 0.000 1.333 339 A HN 0.667 nan 8.150 nan 0.000 0.409 340 E N 1.304 121.641 120.200 0.228 0.000 2.393 340 E HA 0.351 4.745 4.350 0.073 0.000 0.273 340 E C -0.985 175.737 176.600 0.203 0.000 0.918 340 E CA -0.809 55.764 56.400 0.288 0.000 0.773 340 E CB 1.892 31.760 29.700 0.280 0.000 1.275 340 E HN 0.641 nan 8.360 nan 0.000 0.451 341 K N 1.249 121.619 120.400 -0.051 0.000 2.412 341 K HA 0.129 4.492 4.320 0.073 0.000 0.281 341 K C 0.532 176.961 176.600 -0.285 0.000 1.027 341 K CA 0.136 56.170 56.287 -0.422 0.000 0.989 341 K CB 0.141 32.339 32.500 -0.504 0.000 0.935 341 K HN 0.450 nan 8.250 nan 0.000 0.475 342 F N -0.813 118.803 119.950 -0.555 0.000 2.639 342 F HA 0.439 5.009 4.527 0.072 0.000 0.302 342 F C 0.500 175.930 175.800 -0.618 0.000 1.097 342 F CA -0.610 56.824 58.000 -0.943 0.000 1.294 342 F CB 0.688 38.849 39.000 -1.397 0.000 1.027 342 F HN 0.537 nan 8.300 nan 0.000 0.550 343 G N 0.516 108.931 108.800 -0.643 0.000 2.428 343 G HA2 0.204 4.208 3.960 0.073 0.000 0.305 343 G HA3 0.204 4.208 3.960 0.073 0.000 0.305 343 G C -1.797 172.924 174.900 -0.299 0.000 1.260 343 G CA -1.272 43.495 45.100 -0.554 0.000 0.853 343 G HN 0.142 nan 8.290 nan 0.000 0.480 344 K N 0.216 120.561 120.400 -0.091 0.000 2.402 344 K HA 0.480 4.843 4.320 0.073 0.000 0.285 344 K C -0.947 175.617 176.600 -0.060 0.000 1.054 344 K CA -0.020 56.191 56.287 -0.127 0.000 1.001 344 K CB 0.387 32.760 32.500 -0.211 0.000 0.946 344 K HN 0.244 nan 8.250 nan 0.000 0.473 345 V N 4.404 124.243 119.914 -0.124 0.000 2.524 345 V HA 0.131 4.294 4.120 0.073 0.000 0.297 345 V C 0.565 176.637 176.094 -0.036 0.000 1.035 345 V CA -0.603 61.652 62.300 -0.076 0.000 0.867 345 V CB 1.504 33.074 31.823 -0.421 0.000 1.004 345 V HN 0.994 nan 8.190 nan 0.000 0.426 346 T N -0.657 113.998 114.554 0.168 0.000 3.003 346 T HA -0.005 4.389 4.350 0.073 0.000 0.261 346 T C 1.223 176.004 174.700 0.135 0.000 1.003 346 T CA 0.133 62.318 62.100 0.142 0.000 0.917 346 T CB 0.067 69.107 68.868 0.287 0.000 1.084 346 T HN 0.768 nan 8.240 nan 0.000 0.522 347 W N 2.589 123.911 121.300 0.038 0.000 2.584 347 W HA 0.615 5.320 4.660 0.075 0.000 0.264 347 W C 0.047 176.547 176.519 -0.033 0.000 1.264 347 W CA 0.027 57.324 57.345 -0.080 0.000 1.306 347 W CB -0.527 28.738 29.460 -0.326 0.000 1.110 347 W HN 0.430 nan 8.180 nan 0.000 0.606 348 A N 0.878 123.215 122.820 -0.805 0.000 2.515 348 A HA 0.397 4.760 4.320 0.073 0.000 0.298 348 A C 0.484 177.884 177.584 -0.306 0.000 1.059 348 A CA -0.520 51.090 52.037 -0.712 0.000 0.698 348 A CB 1.520 19.719 19.000 -1.335 0.000 1.289 348 A HN 0.100 nan 8.150 nan 0.000 0.404 349 E N 0.537 120.636 120.200 -0.167 0.000 2.158 349 E HA 0.009 4.403 4.350 0.073 0.000 0.191 349 E C 0.416 177.012 176.600 -0.006 0.000 0.982 349 E CA 1.550 57.905 56.400 -0.075 0.000 0.823 349 E CB 0.028 29.696 29.700 -0.053 0.000 0.766 349 E HN 0.678 nan 8.360 nan 0.000 0.468 350 K N -2.372 118.032 120.400 0.007 0.000 3.073 350 K HA 0.299 4.663 4.320 0.073 0.000 0.300 350 K C -1.576 174.901 176.600 -0.204 0.000 1.082 350 K CA -0.785 55.547 56.287 0.075 0.000 0.803 350 K CB 1.009 33.528 32.500 0.031 0.000 1.488 350 K HN -0.184 nan 8.250 nan 0.000 0.372 351 V N 1.753 121.489 119.914 -0.297 0.000 2.384 351 V HA 0.202 4.366 4.120 0.073 0.000 0.287 351 V C -0.647 175.372 176.094 -0.125 0.000 1.020 351 V CA -0.514 61.585 62.300 -0.334 0.000 0.850 351 V CB 1.337 32.890 31.823 -0.450 0.000 0.987 351 V HN 0.763 nan 8.190 nan 0.000 0.436 352 D N 4.783 125.139 120.400 -0.074 0.000 2.363 352 D HA 0.006 4.690 4.640 0.073 0.000 0.263 352 D C 1.057 177.351 176.300 -0.009 0.000 1.258 352 D CA -0.385 53.596 54.000 -0.032 0.000 0.907 352 D CB 1.235 42.023 40.800 -0.020 0.000 1.107 352 D HN 0.337 nan 8.370 nan 0.000 0.495 353 L N 4.749 125.965 121.223 -0.012 0.000 2.013 353 L HA -0.243 4.141 4.340 0.073 0.000 0.212 353 L C 2.289 179.159 176.870 -0.000 0.000 1.073 353 L CA 2.085 56.920 54.840 -0.007 0.000 0.753 353 L CB -1.337 40.713 42.059 -0.015 0.000 0.890 353 L HN 0.588 nan 8.230 nan 0.000 0.432 354 A N -0.714 122.105 122.820 -0.002 0.000 1.858 354 A HA -0.227 4.137 4.320 0.073 0.000 0.216 354 A C 2.275 179.866 177.584 0.012 0.000 1.190 354 A CA 2.683 54.720 52.037 0.000 0.000 0.617 354 A CB -0.973 18.026 19.000 -0.003 0.000 0.827 354 A HN 0.575 nan 8.150 nan 0.000 0.443 355 T N -4.378 110.187 114.554 0.017 0.000 2.978 355 T HA 0.346 4.740 4.350 0.073 0.000 0.262 355 T C 1.614 176.349 174.700 0.060 0.000 1.063 355 T CA 1.308 63.424 62.100 0.028 0.000 1.140 355 T CB -0.255 68.624 68.868 0.019 0.000 0.886 355 T HN 1.810 nan 8.240 nan 0.000 0.470 356 G N 1.703 110.551 108.800 0.080 0.000 2.179 356 G HA2 -0.253 3.750 3.960 0.073 0.000 0.260 356 G HA3 -0.253 3.750 3.960 0.073 0.000 0.260 356 G C 0.122 175.123 174.900 0.168 0.000 0.977 356 G CA 0.023 45.236 45.100 0.188 0.000 0.641 356 G HN 0.724 nan 8.290 nan 0.000 0.533 357 R N 0.574 121.114 120.500 0.066 0.000 2.474 357 R HA 0.514 4.898 4.340 0.073 0.000 0.295 357 R C -2.692 173.601 176.300 -0.011 0.000 0.980 357 R CA -1.995 54.124 56.100 0.032 0.000 0.934 357 R CB 1.238 31.551 30.300 0.021 0.000 1.101 357 R HN 0.069 nan 8.270 nan 0.000 0.469 358 P HA 0.018 nan 4.420 nan 0.000 0.271 358 P C -0.710 176.529 177.300 -0.103 0.000 1.218 358 P CA -0.260 62.747 63.100 -0.155 0.000 0.780 358 P CB 0.689 32.317 31.700 -0.120 0.000 0.901 359 V N 3.781 123.604 119.914 -0.152 0.000 2.320 359 V HA 0.103 4.267 4.120 0.073 0.000 0.265 359 V C 0.600 176.626 176.094 -0.113 0.000 1.048 359 V CA -0.205 62.044 62.300 -0.086 0.000 0.865 359 V CB -0.297 31.486 31.823 -0.068 0.000 1.043 359 V HN 0.527 nan 8.190 nan 0.000 0.474 360 E N 3.067 123.247 120.200 -0.035 0.000 2.384 360 E HA 0.454 4.848 4.350 0.073 0.000 0.266 360 E C 0.407 177.019 176.600 0.020 0.000 1.012 360 E CA -0.149 56.256 56.400 0.008 0.000 0.901 360 E CB 1.047 30.857 29.700 0.183 0.000 0.967 360 E HN 0.794 nan 8.360 nan 0.000 0.435 361 A N 4.565 127.396 122.820 0.019 0.000 2.332 361 A HA 0.336 4.699 4.320 0.073 0.000 0.258 361 A C -2.189 175.451 177.584 0.092 0.000 1.087 361 A CA -1.340 50.722 52.037 0.042 0.000 0.802 361 A CB -0.089 18.936 19.000 0.041 0.000 1.042 361 A HN 0.379 nan 8.150 nan 0.000 0.489 362 P HA 0.269 nan 4.420 nan 0.000 0.264 362 P C 0.926 178.300 177.300 0.124 0.000 1.193 362 P CA 1.736 64.891 63.100 0.092 0.000 0.763 362 P CB 0.569 32.313 31.700 0.072 0.000 0.810 363 G N 2.240 111.118 108.800 0.131 0.000 2.175 363 G HA2 -0.335 3.668 3.960 0.073 0.000 0.265 363 G HA3 -0.335 3.668 3.960 0.073 0.000 0.265 363 G C 0.856 175.898 174.900 0.235 0.000 0.979 363 G CA 0.442 45.637 45.100 0.158 0.000 0.663 363 G HN 0.555 nan 8.290 nan 0.000 0.533 364 V N -2.339 117.738 119.914 0.272 0.000 2.913 364 V HA 0.148 4.312 4.120 0.073 0.000 0.260 364 V C 2.059 178.526 176.094 0.622 0.000 1.098 364 V CA 2.183 64.719 62.300 0.393 0.000 1.121 364 V CB -0.456 31.568 31.823 0.334 0.000 0.714 364 V HN 0.446 nan 8.190 nan 0.000 0.487 365 R N 0.160 120.880 120.500 0.366 0.000 2.356 365 R HA 0.187 4.571 4.340 0.073 0.000 0.234 365 R C 0.640 176.676 176.300 -0.439 0.000 0.929 365 R CA 0.290 56.390 56.100 0.000 0.000 1.084 365 R CB -0.369 29.872 30.300 -0.098 0.000 1.105 365 R HN 0.847 nan 8.270 nan 0.000 0.515 366 Y N -1.506 118.873 120.300 0.132 0.000 3.027 366 Y HA -0.327 4.266 4.550 0.071 0.000 0.216 366 Y C 0.211 176.148 175.900 0.061 0.000 1.149 366 Y CA 0.316 58.480 58.100 0.107 0.000 1.127 366 Y CB -2.432 36.113 38.460 0.142 0.000 1.244 366 Y HN 0.110 nan 8.280 nan 0.000 0.565 367 E N 1.010 121.171 120.200 -0.064 0.000 2.051 367 E HA -0.134 4.259 4.350 0.073 0.000 0.192 367 E C 1.755 178.370 176.600 0.025 0.000 0.991 367 E CA 2.105 58.464 56.400 -0.070 0.000 0.799 367 E CB -0.094 29.562 29.700 -0.074 0.000 0.748 367 E HN 0.758 nan 8.360 nan 0.000 0.449 368 K N -0.608 119.827 120.400 0.057 0.000 2.276 368 K HA 0.133 4.496 4.320 0.073 0.000 0.198 368 K C 0.104 176.759 176.600 0.093 0.000 1.052 368 K CA 0.472 56.799 56.287 0.066 0.000 0.984 368 K CB 0.651 33.183 32.500 0.054 0.000 0.836 368 K HN -0.041 nan 8.250 nan 0.000 0.490 369 E N 0.500 120.775 120.200 0.125 0.000 2.340 369 E HA 0.338 4.732 4.350 0.073 0.000 0.273 369 E C -2.774 173.938 176.600 0.188 0.000 0.891 369 E CA -2.536 53.943 56.400 0.133 0.000 0.757 369 E CB 1.610 31.376 29.700 0.110 0.000 1.231 369 E HN -0.184 nan 8.360 nan 0.000 0.439 370 P HA 0.192 nan 4.420 nan 0.000 0.269 370 P C -0.517 176.881 177.300 0.164 0.000 1.215 370 P CA -0.245 62.949 63.100 0.157 0.000 0.780 370 P CB 0.490 32.244 31.700 0.089 0.000 0.898 371 I N 2.193 122.866 120.570 0.172 0.000 2.569 371 I HA 0.344 4.558 4.170 0.073 0.000 0.296 371 I C -1.327 174.872 176.117 0.136 0.000 1.028 371 I CA -0.788 60.625 61.300 0.188 0.000 1.082 371 I CB 2.008 40.179 38.000 0.285 0.000 1.264 371 I HN -0.037 nan 8.210 nan 0.000 0.429 372 V N 8.426 128.396 119.914 0.092 0.000 2.384 372 V HA 0.633 4.797 4.120 0.073 0.000 0.287 372 V C 0.105 176.178 176.094 -0.035 0.000 1.020 372 V CA -0.355 61.926 62.300 -0.032 0.000 0.850 372 V CB 1.047 32.847 31.823 -0.038 0.000 0.987 372 V HN 0.868 nan 8.190 nan 0.000 0.436 373 M N 2.858 122.356 119.600 -0.171 0.000 2.843 373 M HA 0.720 5.244 4.480 0.073 0.000 0.273 373 M C -2.137 174.033 176.300 -0.217 0.000 1.286 373 M CA -0.789 54.520 55.300 0.015 0.000 0.807 373 M CB 2.810 35.527 32.600 0.195 0.000 1.684 373 M HN 0.403 nan 8.290 nan 0.000 0.458 374 W N 0.324 121.755 121.300 0.218 0.000 2.998 374 W HA 0.506 5.207 4.660 0.069 0.000 0.335 374 W C -3.004 173.688 176.519 0.289 0.000 1.110 374 W CA -1.328 56.143 57.345 0.210 0.000 1.230 374 W CB 1.984 31.519 29.460 0.126 0.000 1.405 374 W HN 0.372 nan 8.180 nan 0.000 0.493 375 P HA 0.139 nan 4.420 nan 0.000 0.312 375 P C -0.111 177.415 177.300 0.377 0.000 1.307 375 P CA 0.183 63.479 63.100 0.327 0.000 0.738 375 P CB 0.727 32.487 31.700 0.101 0.000 1.422 376 S N -2.790 113.119 115.700 0.348 0.000 2.810 376 S HA 0.513 5.027 4.470 0.073 0.000 0.315 376 S C -2.208 172.584 174.600 0.320 0.000 1.138 376 S CA -1.444 56.941 58.200 0.310 0.000 0.889 376 S CB 0.746 64.067 63.200 0.202 0.000 1.236 376 S HN 0.059 nan 8.310 nan 0.000 0.548 377 P HA 0.049 nan 4.420 nan 0.000 0.221 377 P C 0.629 177.837 177.300 -0.153 0.000 1.145 377 P CA 1.064 64.020 63.100 -0.241 0.000 0.795 377 P CB -0.170 31.177 31.700 -0.589 0.000 0.775 378 F N -0.852 119.229 119.950 0.220 0.000 2.502 378 F HA 0.207 4.772 4.527 0.064 0.000 0.298 378 F C 1.668 177.687 175.800 0.365 0.000 1.111 378 F CA 1.008 59.212 58.000 0.341 0.000 1.445 378 F CB -1.055 38.141 39.000 0.326 0.000 1.081 378 F HN -0.086 nan 8.300 nan 0.000 0.558 379 G N 0.003 109.036 108.800 0.388 0.000 2.757 379 G HA2 0.000 4.004 3.960 0.073 0.000 0.686 379 G HA3 0.000 4.004 3.960 0.073 0.000 0.686 379 G C 0.740 175.795 174.900 0.258 0.000 1.452 379 G CA -0.494 44.774 45.100 0.280 0.000 0.922 379 G HN 0.517 nan 8.290 nan 0.000 0.588 380 A N 0.805 123.735 122.820 0.183 0.000 2.067 380 A HA 0.359 4.722 4.320 0.073 0.000 0.219 380 A C 1.066 178.905 177.584 0.424 0.000 1.158 380 A CA 2.616 54.757 52.037 0.173 0.000 0.661 380 A CB -0.052 18.964 19.000 0.026 0.000 0.801 380 A HN 2.328 nan 8.150 nan 0.000 0.452 381 H N -1.088 118.187 119.070 0.342 0.000 3.083 381 H HA 0.456 5.092 4.556 0.133 0.000 0.339 381 H C -0.610 174.864 175.328 0.242 0.000 1.020 381 H CA -1.032 55.196 56.048 0.300 0.000 1.360 381 H CB 0.600 30.540 29.762 0.295 0.000 1.811 381 H HN 0.153 nan 8.280 nan 0.000 0.493 382 N N 2.685 121.358 118.700 -0.046 0.000 2.818 382 N HA 0.063 4.846 4.740 0.073 0.000 0.312 382 N C 1.411 176.694 175.510 -0.378 0.000 1.368 382 N CA -0.104 52.906 53.050 -0.065 0.000 0.817 382 N CB 0.370 38.959 38.487 0.169 0.000 1.116 382 N HN 0.754 nan 8.380 nan 0.000 0.519 383 W N 0.678 121.829 121.300 -0.249 0.000 2.525 383 W HA 0.019 4.576 4.660 -0.172 0.000 0.259 383 W C -0.310 176.076 176.519 -0.223 0.000 1.253 383 W CA 0.025 57.230 57.345 -0.234 0.000 1.262 383 W CB -1.589 27.852 29.460 -0.032 0.000 1.122 383 W HN 0.348 nan 8.180 nan 0.000 0.607 384 H N 2.633 121.103 119.070 -0.999 0.000 3.157 384 H HA 0.084 4.714 4.556 0.122 0.000 0.299 384 H C 0.849 176.121 175.328 -0.093 0.000 0.961 384 H CA 0.619 56.188 56.048 -0.799 0.000 1.428 384 H CB 0.305 29.620 29.762 -0.743 0.000 1.459 384 H HN -0.204 nan 8.280 nan 0.000 0.566 385 S N 3.826 119.592 115.700 0.109 0.000 2.563 385 S HA 0.109 4.623 4.470 0.073 0.000 0.284 385 S C 0.613 175.361 174.600 0.247 0.000 1.331 385 S CA -0.313 58.024 58.200 0.228 0.000 1.047 385 S CB 0.220 63.554 63.200 0.224 0.000 0.859 385 S HN 0.640 nan 8.310 nan 0.000 0.514 386 M N 0.691 120.437 119.600 0.243 0.000 2.811 386 M HA 0.819 5.343 4.480 0.073 0.000 0.303 386 M C -0.596 175.855 176.300 0.252 0.000 1.227 386 M CA -0.848 54.560 55.300 0.181 0.000 0.874 386 M CB 2.000 34.630 32.600 0.050 0.000 1.681 386 M HN 0.563 nan 8.290 nan 0.000 0.500 387 S N 0.123 116.009 115.700 0.309 0.000 2.579 387 S HA 0.770 5.284 4.470 0.073 0.000 0.272 387 S C -1.515 173.372 174.600 0.479 0.000 1.141 387 S CA -0.795 57.633 58.200 0.379 0.000 0.843 387 S CB 1.923 65.349 63.200 0.377 0.000 1.122 387 S HN 0.766 nan 8.310 nan 0.000 0.468 388 F N 2.283 122.394 119.950 0.268 0.000 2.495 388 F HA 0.657 5.226 4.527 0.069 0.000 0.327 388 F C -0.679 175.217 175.800 0.161 0.000 1.103 388 F CA -0.986 57.127 58.000 0.188 0.000 0.949 388 F CB 1.766 40.820 39.000 0.091 0.000 1.142 388 F HN 0.765 nan 8.300 nan 0.000 0.457 389 N N 7.543 125.861 118.700 -0.636 0.000 2.518 389 N HA 0.365 5.148 4.740 0.073 0.000 0.254 389 N C -2.380 172.340 175.510 -1.317 0.000 0.979 389 N CA -2.286 50.330 53.050 -0.724 0.000 0.930 389 N CB 2.132 40.595 38.487 -0.040 0.000 1.152 389 N HN 0.279 nan 8.380 nan 0.000 0.505 390 P HA -0.020 nan 4.420 nan 0.000 0.219 390 P C 1.147 178.158 177.300 -0.481 0.000 1.146 390 P CA 0.911 63.464 63.100 -0.911 0.000 0.808 390 P CB 0.277 31.614 31.700 -0.606 0.000 0.779 391 G N -0.565 107.973 108.800 -0.436 0.000 2.394 391 G HA2 -0.205 3.799 3.960 0.073 0.000 0.215 391 G HA3 -0.205 3.799 3.960 0.073 0.000 0.215 391 G C 1.479 176.308 174.900 -0.118 0.000 1.165 391 G CA 1.588 46.581 45.100 -0.178 0.000 0.784 391 G HN 0.370 nan 8.290 nan 0.000 0.535 392 T N -3.061 111.419 114.554 -0.124 0.000 3.057 392 T HA 0.364 4.757 4.350 0.073 0.000 0.254 392 T C 1.952 176.601 174.700 -0.085 0.000 1.094 392 T CA 1.016 63.091 62.100 -0.042 0.000 1.088 392 T CB 0.138 69.054 68.868 0.079 0.000 0.934 392 T HN 1.361 nan 8.240 nan 0.000 0.497 393 G N 1.396 110.087 108.800 -0.181 0.000 2.155 393 G HA2 -0.206 3.798 3.960 0.073 0.000 0.257 393 G HA3 -0.206 3.798 3.960 0.073 0.000 0.257 393 G C -0.100 174.833 174.900 0.056 0.000 0.983 393 G CA 0.470 45.553 45.100 -0.028 0.000 0.676 393 G HN 0.654 nan 8.290 nan 0.000 0.528 394 L N -0.405 120.751 121.223 -0.112 0.000 2.334 394 L HA 0.756 5.139 4.340 0.073 0.000 0.272 394 L C 0.284 177.006 176.870 -0.246 0.000 1.020 394 L CA -1.398 53.283 54.840 -0.264 0.000 0.812 394 L CB 2.048 43.786 42.059 -0.536 0.000 1.264 394 L HN -0.097 nan 8.230 nan 0.000 0.439 395 V N 1.431 121.160 119.914 -0.307 0.000 2.384 395 V HA 0.296 4.460 4.120 0.073 0.000 0.287 395 V C -0.994 174.853 176.094 -0.411 0.000 1.020 395 V CA -0.560 61.678 62.300 -0.103 0.000 0.850 395 V CB 1.173 33.086 31.823 0.150 0.000 0.987 395 V HN 0.378 nan 8.190 nan 0.000 0.436 396 Y N 5.365 125.665 120.300 0.000 0.000 2.425 396 Y HA 0.589 5.179 4.550 0.066 0.000 0.347 396 Y C 0.285 176.145 175.900 -0.066 0.000 0.976 396 Y CA -0.554 57.494 58.100 -0.087 0.000 1.190 396 Y CB 0.572 39.021 38.460 -0.019 0.000 1.136 396 Y HN 0.443 nan 8.280 nan 0.000 0.517 397 I N 5.975 126.504 120.570 -0.067 0.000 2.412 397 I HA 0.344 4.558 4.170 0.073 0.000 0.296 397 I C -2.411 173.697 176.117 -0.016 0.000 0.987 397 I CA -2.519 58.683 61.300 -0.164 0.000 1.180 397 I CB 2.044 39.820 38.000 -0.372 0.000 1.340 397 I HN 0.320 nan 8.210 nan 0.000 0.455 398 P HA 0.081 nan 4.420 nan 0.000 0.238 398 P C -0.902 176.533 177.300 0.226 0.000 1.794 398 P CA -0.188 63.000 63.100 0.147 0.000 1.088 398 P CB -0.369 31.401 31.700 0.116 0.000 1.923 399 Y N 2.588 122.972 120.300 0.141 0.000 2.480 399 Y HA 0.121 4.714 4.550 0.070 0.000 0.338 399 Y C 0.213 176.269 175.900 0.260 0.000 1.220 399 Y CA 0.545 58.781 58.100 0.227 0.000 1.430 399 Y CB 0.668 39.241 38.460 0.190 0.000 1.311 399 Y HN 0.296 nan 8.280 nan 0.000 0.575 400 Q N 4.463 123.835 119.800 -0.714 0.000 2.347 400 Q HA 0.282 4.666 4.340 0.073 0.000 0.271 400 Q C -1.577 173.960 176.000 -0.773 0.000 1.064 400 Q CA -0.915 54.613 55.803 -0.459 0.000 0.800 400 Q CB 2.419 31.197 28.738 0.067 0.000 1.304 400 Q HN 0.698 nan 8.270 nan 0.000 0.438 401 E N 2.266 122.255 120.200 -0.351 0.000 2.267 401 E HA 0.473 4.867 4.350 0.073 0.000 0.248 401 E C -1.666 174.990 176.600 0.093 0.000 0.899 401 E CA -0.430 55.941 56.400 -0.047 0.000 0.764 401 E CB 1.241 31.013 29.700 0.120 0.000 1.227 401 E HN 0.307 nan 8.360 nan 0.000 0.421 402 V N 5.248 125.258 119.914 0.159 0.000 2.760 402 V HA 0.444 4.608 4.120 0.073 0.000 0.309 402 V C -2.458 173.646 176.094 0.017 0.000 1.077 402 V CA -2.103 60.233 62.300 0.059 0.000 0.910 402 V CB 2.080 33.831 31.823 -0.121 0.000 1.008 402 V HN 0.660 nan 8.190 nan 0.000 0.424 403 P HA 0.344 nan 4.420 nan 0.000 0.276 403 P C -0.093 176.975 177.300 -0.386 0.000 1.230 403 P CA 0.131 62.815 63.100 -0.693 0.000 0.776 403 P CB 0.806 32.232 31.700 -0.456 0.000 0.888 404 G N 1.849 110.392 108.800 -0.428 0.000 2.343 404 G HA2 0.532 4.535 3.960 0.073 0.000 0.319 404 G HA3 0.532 4.535 3.960 0.073 0.000 0.319 404 G C -1.163 173.583 174.900 -0.255 0.000 1.126 404 G CA -0.464 44.513 45.100 -0.206 0.000 0.889 404 G HN 0.337 nan 8.290 nan 0.000 0.457 405 V N 2.789 122.459 119.914 -0.408 0.000 2.444 405 V HA 0.454 4.618 4.120 0.073 0.000 0.294 405 V C -1.231 174.591 176.094 -0.453 0.000 1.022 405 V CA -0.776 61.363 62.300 -0.268 0.000 0.850 405 V CB 0.771 32.495 31.823 -0.164 0.000 0.992 405 V HN 0.669 nan 8.190 nan 0.000 0.426 406 Y N 3.280 123.455 120.300 -0.208 0.000 2.425 406 Y HA 0.744 5.335 4.550 0.068 0.000 0.344 406 Y C 0.115 175.717 175.900 -0.497 0.000 0.969 406 Y CA -0.837 56.975 58.100 -0.479 0.000 1.052 406 Y CB 1.974 39.816 38.460 -1.030 0.000 1.215 406 Y HN 0.568 nan 8.280 nan 0.000 0.451 407 R N 2.129 122.534 120.500 -0.158 0.000 2.621 407 R HA 0.411 4.795 4.340 0.073 0.000 0.292 407 R C -1.241 175.209 176.300 0.250 0.000 0.969 407 R CA -0.839 55.301 56.100 0.068 0.000 0.887 407 R CB 1.070 31.404 30.300 0.056 0.000 1.180 407 R HN 0.720 nan 8.270 nan 0.000 0.450 408 N N 2.682 121.626 118.700 0.407 0.000 2.402 408 N HA -0.002 4.782 4.740 0.073 0.000 0.259 408 N C -0.006 175.605 175.510 0.168 0.000 1.167 408 N CA 0.236 53.476 53.050 0.318 0.000 0.949 408 N CB 0.952 39.555 38.487 0.194 0.000 1.212 408 N HN 0.644 nan 8.380 nan 0.000 0.493 409 E N 2.271 122.562 120.200 0.152 0.000 2.338 409 E HA -0.030 4.363 4.350 0.073 0.000 0.197 409 E C 1.482 178.159 176.600 0.129 0.000 1.007 409 E CA 0.425 56.908 56.400 0.138 0.000 0.849 409 E CB -0.093 29.721 29.700 0.189 0.000 0.774 409 E HN 0.813 nan 8.360 nan 0.000 0.506 410 G N 2.470 111.326 108.800 0.094 0.000 2.685 410 G HA2 -0.427 3.577 3.960 0.073 0.000 0.357 410 G HA3 -0.427 3.577 3.960 0.073 0.000 0.357 410 G C 0.953 175.912 174.900 0.099 0.000 1.272 410 G CA 0.978 46.116 45.100 0.063 0.000 0.972 410 G HN 0.150 nan 8.290 nan 0.000 0.550 411 K N 1.167 121.610 120.400 0.070 0.000 2.280 411 K HA -0.040 4.323 4.320 0.073 0.000 0.202 411 K C 1.872 178.518 176.600 0.078 0.000 1.047 411 K CA 1.544 57.872 56.287 0.068 0.000 0.942 411 K CB -0.372 32.153 32.500 0.041 0.000 0.739 411 K HN 0.526 nan 8.250 nan 0.000 0.457 412 D N -0.152 120.298 120.400 0.084 0.000 2.349 412 D HA -0.044 4.640 4.640 0.073 0.000 0.224 412 D C 0.280 176.624 176.300 0.074 0.000 1.029 412 D CA -0.110 53.927 54.000 0.062 0.000 0.879 412 D CB -0.298 40.532 40.800 0.051 0.000 0.906 412 D HN 0.043 nan 8.370 nan 0.000 0.528 413 F N 1.812 121.756 119.950 -0.009 0.000 2.572 413 F HA 0.170 4.740 4.527 0.073 0.000 0.370 413 F C -0.074 175.715 175.800 -0.019 0.000 1.103 413 F CA -0.316 57.673 58.000 -0.018 0.000 1.286 413 F CB 0.713 39.700 39.000 -0.023 0.000 1.105 413 F HN -0.271 nan 8.300 nan 0.000 0.583 414 V N 6.538 125.797 119.914 -1.091 0.000 2.569 414 V HA 0.353 4.517 4.120 0.073 0.000 0.301 414 V C -0.527 174.901 176.094 -1.110 0.000 1.044 414 V CA -0.358 61.423 62.300 -0.866 0.000 0.874 414 V CB 1.801 33.408 31.823 -0.360 0.000 1.002 414 V HN 0.906 nan 8.190 nan 0.000 0.424 415 T N 8.207 122.262 114.554 -0.831 0.000 2.853 415 T HA 0.445 4.838 4.350 0.073 0.000 0.298 415 T C 0.029 174.618 174.700 -0.184 0.000 0.978 415 T CA 0.140 62.008 62.100 -0.388 0.000 1.152 415 T CB 0.127 68.943 68.868 -0.087 0.000 0.914 415 T HN 0.773 nan 8.240 nan 0.000 0.539 416 R N 1.875 122.319 120.500 -0.094 0.000 2.912 416 R HA 0.424 4.807 4.340 0.073 0.000 0.262 416 R C -0.296 176.057 176.300 0.089 0.000 1.057 416 R CA -1.099 55.006 56.100 0.008 0.000 0.981 416 R CB 1.587 31.843 30.300 -0.074 0.000 1.201 416 R HN 0.428 nan 8.270 nan 0.000 0.484 417 K N 1.241 121.759 120.400 0.196 0.000 2.333 417 K HA 0.413 4.777 4.320 0.073 0.000 0.241 417 K C -0.739 176.031 176.600 0.282 0.000 1.193 417 K CA -0.161 56.250 56.287 0.207 0.000 1.142 417 K CB 0.756 33.369 32.500 0.189 0.000 1.731 417 K HN 0.592 nan 8.250 nan 0.000 0.344 418 A N 1.021 123.976 122.820 0.225 0.000 2.526 418 A HA 0.368 4.732 4.320 0.073 0.000 0.306 418 A C -1.340 176.451 177.584 0.345 0.000 1.088 418 A CA -0.923 51.265 52.037 0.252 0.000 0.600 418 A CB 0.149 19.024 19.000 -0.208 0.000 1.423 418 A HN 0.346 nan 8.150 nan 0.000 0.582 419 F N 1.002 120.904 119.950 -0.079 0.000 2.607 419 F HA 0.150 4.721 4.527 0.073 0.000 0.374 419 F C 0.720 176.396 175.800 -0.208 0.000 1.104 419 F CA 0.735 58.582 58.000 -0.255 0.000 1.296 419 F CB 0.499 39.322 39.000 -0.296 0.000 1.085 419 F HN 0.547 nan 8.300 nan 0.000 0.584 420 N N 1.093 119.733 118.700 -0.100 0.000 2.844 420 N HA 0.068 4.852 4.740 0.073 0.000 0.268 420 N C 0.532 175.906 175.510 -0.226 0.000 1.574 420 N CA -0.152 52.903 53.050 0.007 0.000 0.838 420 N CB 0.944 39.524 38.487 0.154 0.000 1.177 420 N HN 0.578 nan 8.380 nan 0.000 0.495 421 T N -2.116 112.177 114.554 -0.435 0.000 3.009 421 T HA 0.146 4.540 4.350 0.073 0.000 0.258 421 T C 1.507 175.978 174.700 -0.382 0.000 1.063 421 T CA 0.658 62.256 62.100 -0.837 0.000 1.139 421 T CB -0.002 67.996 68.868 -1.451 0.000 0.890 421 T HN 0.307 nan 8.240 nan 0.000 0.471 422 A N 0.729 123.451 122.820 -0.162 0.000 2.945 422 A HA -0.046 4.318 4.320 0.073 0.000 0.263 422 A C 1.407 178.999 177.584 0.012 0.000 1.293 422 A CA 1.285 53.261 52.037 -0.102 0.000 0.944 422 A CB -2.163 16.463 19.000 -0.623 0.000 1.093 422 A HN 1.696 nan 8.150 nan 0.000 0.786 423 A N -1.195 121.633 122.820 0.012 0.000 2.589 423 A HA 0.607 4.970 4.320 0.073 0.000 0.283 423 A C 1.994 179.616 177.584 0.063 0.000 1.187 423 A CA 1.178 53.297 52.037 0.136 0.000 0.957 423 A CB -0.745 18.445 19.000 0.316 0.000 1.175 423 A HN 2.531 nan 8.150 nan 0.000 0.532 424 G N -0.800 108.021 108.800 0.035 0.000 2.249 424 G HA2 -0.353 3.651 3.960 0.073 0.000 0.273 424 G HA3 -0.353 3.651 3.960 0.073 0.000 0.273 424 G C 0.532 175.438 174.900 0.010 0.000 1.036 424 G CA 0.548 45.656 45.100 0.014 0.000 0.824 424 G HN 0.810 nan 8.290 nan 0.000 0.504 425 F N 1.029 120.869 119.950 -0.184 0.000 2.216 425 F HA 0.131 4.704 4.527 0.077 0.000 0.300 425 F C 2.457 178.186 175.800 -0.119 0.000 1.085 425 F CA 1.875 59.768 58.000 -0.178 0.000 1.326 425 F CB -0.345 38.458 39.000 -0.329 0.000 1.027 425 F HN 0.372 nan 8.300 nan 0.000 0.497 426 A N -0.363 122.379 122.820 -0.130 0.000 2.172 426 A HA -0.143 4.220 4.320 0.073 0.000 0.216 426 A C 1.775 179.258 177.584 -0.169 0.000 1.154 426 A CA 1.591 53.512 52.037 -0.194 0.000 0.701 426 A CB -0.790 18.128 19.000 -0.136 0.000 0.789 426 A HN 0.390 nan 8.150 nan 0.000 0.465 427 D N 0.732 121.050 120.400 -0.137 0.000 2.219 427 D HA 0.090 4.774 4.640 0.073 0.000 0.205 427 D C 1.135 177.372 176.300 -0.105 0.000 0.970 427 D CA 1.017 54.958 54.000 -0.098 0.000 0.851 427 D CB -0.511 40.249 40.800 -0.067 0.000 0.943 427 D HN 0.443 nan 8.370 nan 0.000 0.488 428 A N 0.709 123.423 122.820 -0.176 0.000 2.548 428 A HA 0.247 4.611 4.320 0.073 0.000 0.247 428 A C 1.259 178.796 177.584 -0.078 0.000 1.067 428 A CA 0.570 52.516 52.037 -0.152 0.000 0.757 428 A CB 0.063 18.904 19.000 -0.265 0.000 0.996 428 A HN 0.232 nan 8.150 nan 0.000 0.504 429 T N -1.365 113.177 114.554 -0.020 0.000 3.040 429 T HA 0.420 4.814 4.350 0.073 0.000 0.266 429 T C -0.142 174.579 174.700 0.034 0.000 1.005 429 T CA 0.455 62.576 62.100 0.035 0.000 0.906 429 T CB -0.030 68.871 68.868 0.056 0.000 1.082 429 T HN 0.726 nan 8.240 nan 0.000 0.531 430 D N -0.339 120.069 120.400 0.014 0.000 2.807 430 D HA 0.297 4.981 4.640 0.073 0.000 0.279 430 D C -1.856 174.452 176.300 0.013 0.000 1.247 430 D CA -0.503 53.510 54.000 0.020 0.000 0.749 430 D CB 1.397 42.211 40.800 0.023 0.000 1.264 430 D HN -0.055 nan 8.370 nan 0.000 0.421 431 V N 2.438 122.362 119.914 0.015 0.000 2.467 431 V HA 0.370 4.534 4.120 0.073 0.000 0.260 431 V C -2.311 173.799 176.094 0.027 0.000 0.963 431 V CA -1.244 61.058 62.300 0.004 0.000 0.856 431 V CB 0.958 32.760 31.823 -0.036 0.000 1.087 431 V HN 0.372 nan 8.190 nan 0.000 0.467 432 P HA 0.029 nan 4.420 nan 0.000 0.264 432 P C 0.989 178.326 177.300 0.060 0.000 1.179 432 P CA 0.518 63.644 63.100 0.044 0.000 0.763 432 P CB 0.977 32.704 31.700 0.044 0.000 0.806 433 A N 4.185 127.043 122.820 0.063 0.000 1.972 433 A HA -0.127 4.237 4.320 0.073 0.000 0.219 433 A C 2.090 179.722 177.584 0.081 0.000 1.169 433 A CA 1.893 53.977 52.037 0.079 0.000 0.635 433 A CB -1.440 17.599 19.000 0.064 0.000 0.810 433 A HN 0.552 nan 8.150 nan 0.000 0.446 434 A N -0.159 122.702 122.820 0.069 0.000 2.015 434 A HA 0.054 4.418 4.320 0.073 0.000 0.219 434 A C 1.982 179.621 177.584 0.092 0.000 1.163 434 A CA 1.765 53.845 52.037 0.072 0.000 0.646 434 A CB -0.780 18.256 19.000 0.061 0.000 0.806 434 A HN 1.201 nan 8.150 nan 0.000 0.448 435 V N -2.221 117.752 119.914 0.098 0.000 3.621 435 V HA 0.391 4.555 4.120 0.073 0.000 0.285 435 V C 0.441 176.617 176.094 0.137 0.000 1.346 435 V CA 0.311 62.691 62.300 0.134 0.000 1.104 435 V CB -0.877 31.023 31.823 0.129 0.000 0.913 435 V HN 0.553 nan 8.190 nan 0.000 0.432 436 V N -1.175 118.804 119.914 0.108 0.000 2.960 436 V HA 1.048 5.212 4.120 0.073 0.000 0.315 436 V C -0.410 175.773 176.094 0.147 0.000 1.087 436 V CA 0.156 62.511 62.300 0.091 0.000 0.982 436 V CB 1.523 33.371 31.823 0.043 0.000 1.039 436 V HN 0.830 nan 8.190 nan 0.000 0.437 437 S N 0.716 116.513 115.700 0.162 0.000 2.615 437 S HA 0.941 5.455 4.470 0.073 0.000 0.268 437 S C -0.372 174.352 174.600 0.207 0.000 1.146 437 S CA -0.166 58.152 58.200 0.195 0.000 0.818 437 S CB 1.107 64.410 63.200 0.172 0.000 1.111 437 S HN 2.168 nan 8.310 nan 0.000 0.465 438 G N -0.518 108.439 108.800 0.261 0.000 2.766 438 G HA2 1.008 5.012 3.960 0.073 0.000 0.288 438 G HA3 1.008 5.012 3.960 0.073 0.000 0.288 438 G C -1.074 174.033 174.900 0.344 0.000 1.408 438 G CA -0.505 44.767 45.100 0.286 0.000 0.852 438 G HN 1.835 nan 8.290 nan 0.000 0.487 439 A N -0.995 122.052 122.820 0.378 0.000 2.590 439 A HA 0.575 4.939 4.320 0.073 0.000 0.294 439 A C -1.962 175.726 177.584 0.174 0.000 1.046 439 A CA -0.581 51.557 52.037 0.168 0.000 0.684 439 A CB 1.512 20.621 19.000 0.181 0.000 1.279 439 A HN 1.799 nan 8.150 nan 0.000 0.415 440 L N 1.853 123.049 121.223 -0.046 0.000 2.268 440 L HA 0.689 5.073 4.340 0.073 0.000 0.289 440 L C -0.894 175.938 176.870 -0.063 0.000 1.064 440 L CA -0.465 54.399 54.840 0.040 0.000 0.824 440 L CB 0.596 42.646 42.059 -0.016 0.000 1.202 440 L HN 0.684 nan 8.230 nan 0.000 0.433 441 L N 5.794 126.971 121.223 -0.077 0.000 2.272 441 L HA 0.725 5.109 4.340 0.073 0.000 0.289 441 L C -0.050 176.561 176.870 -0.431 0.000 1.032 441 L CA -0.203 54.517 54.840 -0.199 0.000 0.810 441 L CB 1.235 43.251 42.059 -0.072 0.000 1.205 441 L HN 0.749 nan 8.230 nan 0.000 0.422 442 A N 6.481 128.812 122.820 -0.814 0.000 2.366 442 A HA 0.271 4.634 4.320 0.073 0.000 0.322 442 A C -0.837 176.348 177.584 -0.666 0.000 1.397 442 A CA -0.541 50.802 52.037 -1.156 0.000 0.984 442 A CB -0.197 17.488 19.000 -2.191 0.000 1.149 442 A HN 0.820 nan 8.150 nan 0.000 0.540 443 W N 3.172 124.030 121.300 -0.736 0.000 2.390 443 W HA 0.285 4.995 4.660 0.083 0.000 0.312 443 W C -1.121 175.050 176.519 -0.581 0.000 1.123 443 W CA -0.371 56.595 57.345 -0.632 0.000 1.202 443 W CB 1.318 30.338 29.460 -0.732 0.000 1.251 443 W HN 0.630 nan 8.180 nan 0.000 0.511 444 D N 7.925 127.733 120.400 -0.987 0.000 2.396 444 D HA 0.128 4.812 4.640 0.073 0.000 0.225 444 D C -1.247 174.607 176.300 -0.743 0.000 1.121 444 D CA -2.172 51.419 54.000 -0.683 0.000 0.853 444 D CB 1.828 42.284 40.800 -0.574 0.000 1.043 444 D HN 0.128 nan 8.370 nan 0.000 0.500 445 P HA -0.116 nan 4.420 nan 0.000 0.221 445 P C 1.434 178.672 177.300 -0.104 0.000 1.150 445 P CA 0.370 63.360 63.100 -0.183 0.000 0.800 445 P CB 0.704 32.426 31.700 0.036 0.000 0.787 446 V N 0.967 120.797 119.914 -0.141 0.000 2.346 446 V HA -0.112 4.052 4.120 0.073 0.000 0.244 446 V C 2.463 178.473 176.094 -0.139 0.000 1.037 446 V CA 1.837 64.075 62.300 -0.104 0.000 1.029 446 V CB -1.007 30.763 31.823 -0.088 0.000 0.663 446 V HN 0.105 nan 8.190 nan 0.000 0.454 447 K N -0.695 119.571 120.400 -0.224 0.000 2.365 447 K HA 0.037 4.401 4.320 0.073 0.000 0.197 447 K C 0.296 176.718 176.600 -0.297 0.000 1.042 447 K CA 0.072 56.213 56.287 -0.243 0.000 0.987 447 K CB 0.073 32.405 32.500 -0.281 0.000 0.779 447 K HN 0.253 nan 8.250 nan 0.000 0.484 448 Q N 0.531 120.091 119.800 -0.399 0.000 2.460 448 Q HA -0.191 4.193 4.340 0.073 0.000 0.311 448 Q C -0.819 174.773 176.000 -0.680 0.000 1.396 448 Q CA 1.157 56.755 55.803 -0.341 0.000 0.838 448 Q CB -1.295 27.459 28.738 0.027 0.000 1.140 448 Q HN 0.424 nan 8.270 nan 0.000 0.415 449 K N -1.269 118.310 120.400 -1.368 0.000 2.556 449 K HA 0.702 5.066 4.320 0.073 0.000 0.274 449 K C -1.254 174.479 176.600 -1.446 0.000 0.966 449 K CA -0.028 55.539 56.287 -1.198 0.000 0.865 449 K CB 1.547 33.706 32.500 -0.569 0.000 1.444 449 K HN 0.130 nan 8.250 nan 0.000 0.433 450 A N 1.628 123.933 122.820 -0.858 0.000 2.409 450 A HA 0.520 4.884 4.320 0.073 0.000 0.262 450 A C 0.683 178.051 177.584 -0.360 0.000 1.113 450 A CA 0.445 52.203 52.037 -0.465 0.000 0.790 450 A CB 0.772 19.705 19.000 -0.112 0.000 1.046 450 A HN 0.853 nan 8.150 nan 0.000 0.496 451 A N 3.456 126.055 122.820 -0.368 0.000 1.903 451 A HA 0.392 4.756 4.320 0.073 0.000 0.213 451 A C 0.739 178.332 177.584 0.016 0.000 1.185 451 A CA 1.152 53.064 52.037 -0.208 0.000 0.628 451 A CB -0.090 18.763 19.000 -0.245 0.000 0.830 451 A HN 1.352 nan 8.150 nan 0.000 0.446 452 W N -2.679 118.551 121.300 -0.116 0.000 3.066 452 W HA 0.709 5.416 4.660 0.078 0.000 0.330 452 W C -1.379 175.088 176.519 -0.087 0.000 1.253 452 W CA -0.880 56.411 57.345 -0.090 0.000 1.187 452 W CB 0.762 30.180 29.460 -0.069 0.000 1.434 452 W HN -0.021 nan 8.180 nan 0.000 0.572 453 K N 1.624 122.226 120.400 0.338 0.000 2.565 453 K HA 0.472 4.836 4.320 0.073 0.000 0.251 453 K C -2.166 174.512 176.600 0.129 0.000 0.956 453 K CA -0.557 55.824 56.287 0.156 0.000 0.809 453 K CB 2.749 35.262 32.500 0.022 0.000 1.267 453 K HN 0.385 nan 8.250 nan 0.000 0.438 454 V N 6.285 126.219 119.914 0.033 0.000 2.370 454 V HA 0.426 4.589 4.120 0.073 0.000 0.283 454 V C -2.051 173.815 176.094 -0.380 0.000 1.023 454 V CA -1.725 60.455 62.300 -0.200 0.000 0.857 454 V CB 1.287 32.868 31.823 -0.403 0.000 0.985 454 V HN 0.727 nan 8.190 nan 0.000 0.443 455 P HA 0.373 nan 4.420 nan 0.000 0.282 455 P C -1.720 175.426 177.300 -0.258 0.000 1.249 455 P CA -0.303 62.680 63.100 -0.195 0.000 0.806 455 P CB 1.054 32.728 31.700 -0.043 0.000 0.984 456 Y N 1.568 121.926 120.300 0.097 0.000 2.499 456 Y HA 0.324 4.916 4.550 0.070 0.000 0.347 456 Y C -1.402 174.558 175.900 0.099 0.000 0.987 456 Y CA -2.451 55.704 58.100 0.091 0.000 1.044 456 Y CB 1.010 39.529 38.460 0.099 0.000 1.245 456 Y HN 0.244 nan 8.280 nan 0.000 0.461 457 P HA -0.103 nan 4.420 nan 0.000 0.218 457 P C 0.119 177.532 177.300 0.190 0.000 1.148 457 P CA 1.811 65.016 63.100 0.175 0.000 0.822 457 P CB 0.309 32.085 31.700 0.127 0.000 0.784 458 T N -5.102 109.582 114.554 0.216 0.000 2.804 458 T HA 0.401 4.794 4.350 0.073 0.000 0.290 458 T C -0.088 174.793 174.700 0.303 0.000 1.099 458 T CA -0.872 61.387 62.100 0.265 0.000 1.011 458 T CB 1.280 70.266 68.868 0.197 0.000 1.291 458 T HN 0.041 nan 8.240 nan 0.000 0.523 459 H N -0.986 118.187 119.070 0.171 0.000 2.423 459 H HA 0.240 4.837 4.556 0.068 0.000 0.309 459 H C 0.552 176.061 175.328 0.301 0.000 1.584 459 H CA -1.149 55.013 56.048 0.190 0.000 1.504 459 H CB -0.231 29.643 29.762 0.187 0.000 1.740 459 H HN 0.907 nan 8.280 nan 0.000 0.744 460 W N 0.695 121.889 121.300 -0.176 0.000 4.301 460 W HA -0.208 4.515 4.660 0.105 0.000 0.360 460 W C -1.146 175.237 176.519 -0.227 0.000 1.371 460 W CA 0.320 57.489 57.345 -0.293 0.000 0.781 460 W CB -1.268 28.037 29.460 -0.258 0.000 2.488 460 W HN 0.632 nan 8.180 nan 0.000 1.350 461 N N 0.516 119.024 118.700 -0.320 0.000 2.434 461 N HA 0.451 5.235 4.740 0.073 0.000 0.266 461 N C 0.826 176.092 175.510 -0.407 0.000 1.223 461 N CA 0.439 53.345 53.050 -0.240 0.000 0.972 461 N CB 0.645 39.002 38.487 -0.217 0.000 1.207 461 N HN 0.065 nan 8.380 nan 0.000 0.525 462 G N -1.224 107.489 108.800 -0.145 0.000 2.621 462 G HA2 0.402 4.406 3.960 0.073 0.000 0.271 462 G HA3 0.402 4.406 3.960 0.073 0.000 0.271 462 G C 0.404 175.301 174.900 -0.004 0.000 1.236 462 G CA -0.413 44.647 45.100 -0.066 0.000 0.958 462 G HN 0.469 nan 8.290 nan 0.000 0.512 463 G N -1.386 107.447 108.800 0.055 0.000 2.651 463 G HA2 0.487 4.490 3.960 0.073 0.000 0.260 463 G HA3 0.487 4.490 3.960 0.073 0.000 0.260 463 G C 0.354 175.365 174.900 0.185 0.000 1.216 463 G CA 0.568 45.742 45.100 0.123 0.000 0.913 463 G HN 0.993 nan 8.290 nan 0.000 0.535 464 T N -2.664 112.023 114.554 0.220 0.000 2.950 464 T HA 0.647 5.041 4.350 0.073 0.000 0.288 464 T C -0.801 174.069 174.700 0.283 0.000 1.035 464 T CA -0.796 61.459 62.100 0.257 0.000 1.028 464 T CB 1.808 70.834 68.868 0.263 0.000 1.109 464 T HN 0.849 nan 8.240 nan 0.000 0.514 465 L N 0.664 122.068 121.223 0.302 0.000 2.436 465 L HA 0.757 5.141 4.340 0.073 0.000 0.268 465 L C -0.952 176.101 176.870 0.305 0.000 0.974 465 L CA -0.262 54.780 54.840 0.336 0.000 0.826 465 L CB 2.324 44.572 42.059 0.315 0.000 1.291 465 L HN 0.843 nan 8.230 nan 0.000 0.406 466 S N 1.911 117.790 115.700 0.299 0.000 2.501 466 S HA 0.906 5.419 4.470 0.073 0.000 0.301 466 S C -0.454 174.286 174.600 0.233 0.000 1.096 466 S CA -0.240 58.118 58.200 0.263 0.000 1.063 466 S CB 1.678 65.099 63.200 0.368 0.000 1.042 466 S HN 0.888 nan 8.310 nan 0.000 0.494 467 T N -1.439 113.216 114.554 0.169 0.000 2.883 467 T HA 0.696 5.090 4.350 0.073 0.000 0.296 467 T C 0.597 175.337 174.700 0.067 0.000 1.117 467 T CA -0.461 61.595 62.100 -0.074 0.000 1.006 467 T CB 1.343 70.230 68.868 0.032 0.000 1.191 467 T HN 0.461 nan 8.240 nan 0.000 0.508 468 A N 0.017 122.780 122.820 -0.096 0.000 2.239 468 A HA 0.386 4.750 4.320 0.073 0.000 0.209 468 A C 1.811 179.453 177.584 0.097 0.000 1.171 468 A CA 0.750 52.876 52.037 0.149 0.000 0.768 468 A CB -1.044 18.012 19.000 0.094 0.000 0.790 468 A HN 1.208 nan 8.150 nan 0.000 0.478 469 G N -0.474 108.359 108.800 0.054 0.000 3.440 469 G HA2 0.199 4.203 3.960 0.073 0.000 0.263 469 G HA3 0.199 4.203 3.960 0.073 0.000 0.263 469 G C 0.361 175.277 174.900 0.027 0.000 1.236 469 G CA 0.182 45.300 45.100 0.031 0.000 0.927 469 G HN 0.691 nan 8.290 nan 0.000 0.530 470 N N -1.024 117.711 118.700 0.059 0.000 2.738 470 N HA -0.156 4.628 4.740 0.073 0.000 0.249 470 N C -0.680 174.828 175.510 -0.004 0.000 1.047 470 N CA 0.068 53.145 53.050 0.045 0.000 0.707 470 N CB -0.798 37.703 38.487 0.024 0.000 0.937 470 N HN 0.277 nan 8.380 nan 0.000 0.545 471 L N 0.288 121.500 121.223 -0.017 0.000 2.393 471 L HA 0.774 5.157 4.340 0.073 0.000 0.260 471 L C -0.438 176.347 176.870 -0.142 0.000 1.002 471 L CA -0.953 53.804 54.840 -0.138 0.000 0.818 471 L CB 2.156 44.065 42.059 -0.251 0.000 1.369 471 L HN -0.078 nan 8.230 nan 0.000 0.412 472 V N 1.821 121.598 119.914 -0.228 0.000 2.623 472 V HA 0.565 4.728 4.120 0.073 0.000 0.304 472 V C -1.376 174.676 176.094 -0.071 0.000 1.054 472 V CA -0.211 62.003 62.300 -0.143 0.000 0.882 472 V CB 1.767 33.389 31.823 -0.336 0.000 1.002 472 V HN 0.485 nan 8.190 nan 0.000 0.424 473 F N 4.978 125.010 119.950 0.138 0.000 2.458 473 F HA 0.776 5.345 4.527 0.069 0.000 0.330 473 F C 0.194 176.132 175.800 0.231 0.000 1.082 473 F CA -0.179 57.933 58.000 0.187 0.000 0.995 473 F CB 1.869 40.933 39.000 0.106 0.000 1.170 473 F HN 0.544 nan 8.300 nan 0.000 0.478 474 Q N 1.103 121.182 119.800 0.465 0.000 2.386 474 Q HA 0.557 4.941 4.340 0.073 0.000 0.274 474 Q C -1.301 174.898 176.000 0.330 0.000 1.011 474 Q CA -0.731 55.297 55.803 0.375 0.000 0.867 474 Q CB 2.350 31.327 28.738 0.398 0.000 1.409 474 Q HN 0.909 nan 8.270 nan 0.000 0.395 475 G N 0.965 109.900 108.800 0.226 0.000 2.410 475 G HA2 0.657 4.660 3.960 0.073 0.000 0.330 475 G HA3 0.657 4.660 3.960 0.073 0.000 0.330 475 G C -0.450 174.503 174.900 0.089 0.000 1.142 475 G CA -0.101 45.096 45.100 0.163 0.000 0.902 475 G HN 0.615 nan 8.290 nan 0.000 0.491 476 T N -2.060 112.509 114.554 0.025 0.000 2.942 476 T HA 0.600 4.994 4.350 0.073 0.000 0.289 476 T C 1.404 176.056 174.700 -0.081 0.000 1.044 476 T CA 0.169 62.197 62.100 -0.120 0.000 1.023 476 T CB 1.784 70.505 68.868 -0.244 0.000 1.123 476 T HN 0.826 nan 8.240 nan 0.000 0.512 477 A N 0.751 123.511 122.820 -0.101 0.000 1.972 477 A HA 0.270 4.634 4.320 0.073 0.000 0.219 477 A C 2.428 179.764 177.584 -0.413 0.000 1.169 477 A CA 1.542 53.478 52.037 -0.168 0.000 0.635 477 A CB -1.390 17.634 19.000 0.039 0.000 0.810 477 A HN 1.294 nan 8.150 nan 0.000 0.446 478 A N -1.714 120.958 122.820 -0.246 0.000 2.209 478 A HA 0.369 4.733 4.320 0.073 0.000 0.212 478 A C 1.716 179.176 177.584 -0.208 0.000 1.158 478 A CA 1.368 53.278 52.037 -0.211 0.000 0.742 478 A CB -0.900 18.037 19.000 -0.106 0.000 0.790 478 A HN 1.928 nan 8.150 nan 0.000 0.472 479 G N -1.682 107.000 108.800 -0.196 0.000 2.141 479 G HA2 -0.155 3.848 3.960 0.073 0.000 0.195 479 G HA3 -0.155 3.848 3.960 0.073 0.000 0.195 479 G C -0.204 174.614 174.900 -0.137 0.000 1.012 479 G CA 0.141 45.147 45.100 -0.156 0.000 0.696 479 G HN 0.592 nan 8.290 nan 0.000 0.508 480 Q N -0.784 118.935 119.800 -0.134 0.000 2.399 480 Q HA 0.769 5.153 4.340 0.073 0.000 0.276 480 Q C -0.371 175.512 176.000 -0.196 0.000 1.098 480 Q CA -1.072 54.587 55.803 -0.240 0.000 0.827 480 Q CB 1.562 30.044 28.738 -0.426 0.000 1.386 480 Q HN 0.173 nan 8.270 nan 0.000 0.443 481 M N 1.577 121.002 119.600 -0.291 0.000 2.294 481 M HA 0.407 4.931 4.480 0.073 0.000 0.335 481 M C -0.919 175.088 176.300 -0.488 0.000 1.079 481 M CA -0.257 54.930 55.300 -0.188 0.000 0.982 481 M CB 1.126 33.652 32.600 -0.124 0.000 1.651 481 M HN 0.597 nan 8.290 nan 0.000 0.437 482 H N 0.909 119.957 119.070 -0.038 0.000 2.834 482 H HA 0.836 5.435 4.556 0.071 0.000 0.369 482 H C -1.065 174.269 175.328 0.011 0.000 1.174 482 H CA -0.822 55.139 56.048 -0.145 0.000 1.165 482 H CB 2.171 31.840 29.762 -0.155 0.000 1.820 482 H HN 0.705 nan 8.280 nan 0.000 0.558 483 A N 2.281 125.045 122.820 -0.094 0.000 2.408 483 A HA 0.592 4.956 4.320 0.073 0.000 0.295 483 A C -1.879 175.458 177.584 -0.411 0.000 1.040 483 A CA -0.529 51.321 52.037 -0.312 0.000 0.707 483 A CB 0.866 19.720 19.000 -0.244 0.000 1.235 483 A HN 0.522 nan 8.150 nan 0.000 0.418 484 Y N 0.672 120.858 120.300 -0.189 0.000 2.570 484 Y HA 0.576 5.169 4.550 0.072 0.000 0.345 484 Y C 0.972 176.743 175.900 -0.215 0.000 1.014 484 Y CA -0.608 57.384 58.100 -0.180 0.000 1.063 484 Y CB 1.978 40.332 38.460 -0.176 0.000 1.272 484 Y HN 0.756 nan 8.280 nan 0.000 0.477 485 S N 0.389 116.050 115.700 -0.065 0.000 2.533 485 S HA 0.326 4.840 4.470 0.073 0.000 0.282 485 S C 0.984 175.574 174.600 -0.016 0.000 1.304 485 S CA -0.193 57.957 58.200 -0.083 0.000 1.063 485 S CB 1.285 64.416 63.200 -0.116 0.000 0.881 485 S HN 0.918 nan 8.310 nan 0.000 0.493 486 A N 2.915 125.775 122.820 0.067 0.000 1.933 486 A HA -0.123 4.240 4.320 0.073 0.000 0.218 486 A C 1.887 179.763 177.584 0.487 0.000 1.175 486 A CA 1.549 53.730 52.037 0.240 0.000 0.628 486 A CB -0.864 18.220 19.000 0.140 0.000 0.814 486 A HN 0.976 nan 8.150 nan 0.000 0.444 487 D N -0.489 120.059 120.400 0.247 0.000 2.162 487 D HA -0.099 4.584 4.640 0.073 0.000 0.203 487 D C 1.425 177.839 176.300 0.189 0.000 0.967 487 D CA 1.546 55.689 54.000 0.239 0.000 0.840 487 D CB -0.316 40.543 40.800 0.099 0.000 0.972 487 D HN 0.505 nan 8.370 nan 0.000 0.482 488 K N -1.406 118.907 120.400 -0.144 0.000 2.440 488 K HA 0.355 4.719 4.320 0.073 0.000 0.207 488 K C 0.914 176.792 176.600 -1.204 0.000 1.112 488 K CA 0.357 56.378 56.287 -0.443 0.000 1.036 488 K CB 1.503 33.865 32.500 -0.229 0.000 0.935 488 K HN 0.174 nan 8.250 nan 0.000 0.564 489 G N 2.960 110.789 108.800 -1.618 0.000 2.160 489 G HA2 -0.322 3.682 3.960 0.073 0.000 0.244 489 G HA3 -0.322 3.682 3.960 0.073 0.000 0.244 489 G C -0.291 174.156 174.900 -0.755 0.000 1.022 489 G CA 0.394 44.238 45.100 -2.093 0.000 0.741 489 G HN 0.442 nan 8.290 nan 0.000 0.508 490 E N 0.512 120.467 120.200 -0.408 0.000 2.316 490 E HA 0.567 4.960 4.350 0.073 0.000 0.275 490 E C 0.878 177.459 176.600 -0.032 0.000 1.029 490 E CA -0.122 56.175 56.400 -0.172 0.000 0.871 490 E CB 0.573 30.185 29.700 -0.146 0.000 1.022 490 E HN 0.832 nan 8.360 nan 0.000 0.418 491 A N 5.427 128.253 122.820 0.010 0.000 2.491 491 A HA 0.168 4.531 4.320 0.073 0.000 0.261 491 A C 0.512 178.031 177.584 -0.108 0.000 1.101 491 A CA -0.063 51.919 52.037 -0.092 0.000 0.772 491 A CB 0.067 19.040 19.000 -0.047 0.000 1.043 491 A HN 0.840 nan 8.150 nan 0.000 0.501 492 L N 0.993 122.129 121.223 -0.146 0.000 2.609 492 L HA 0.311 4.695 4.340 0.073 0.000 0.230 492 L C 0.146 177.057 176.870 0.068 0.000 1.064 492 L CA 0.063 54.873 54.840 -0.049 0.000 0.873 492 L CB 0.287 42.306 42.059 -0.067 0.000 1.139 492 L HN 0.813 nan 8.230 nan 0.000 0.490 493 W N 0.897 122.076 121.300 -0.201 0.000 3.573 493 W HA 0.504 5.205 4.660 0.069 0.000 0.306 493 W C -1.814 174.607 176.519 -0.162 0.000 1.227 493 W CA -0.446 56.811 57.345 -0.147 0.000 1.212 493 W CB 1.320 30.699 29.460 -0.136 0.000 1.331 493 W HN -0.207 nan 8.180 nan 0.000 0.524 494 Q N 4.483 123.736 119.800 -0.913 0.000 2.423 494 Q HA 0.744 5.128 4.340 0.073 0.000 0.278 494 Q C -1.808 173.525 176.000 -1.112 0.000 1.097 494 Q CA -0.713 54.484 55.803 -1.010 0.000 0.809 494 Q CB 3.120 31.527 28.738 -0.551 0.000 1.391 494 Q HN 0.403 nan 8.270 nan 0.000 0.428 495 F N 0.381 119.674 119.950 -1.094 0.000 2.596 495 F HA 0.400 4.970 4.527 0.071 0.000 0.311 495 F C -1.067 174.498 175.800 -0.391 0.000 1.116 495 F CA -0.660 56.942 58.000 -0.662 0.000 0.957 495 F CB 1.777 40.404 39.000 -0.621 0.000 1.250 495 F HN 0.356 nan 8.300 nan 0.000 0.444 496 E N 4.717 124.339 120.200 -0.964 0.000 2.070 496 E HA 0.316 4.710 4.350 0.073 0.000 0.282 496 E C 0.376 176.546 176.600 -0.716 0.000 1.104 496 E CA 0.107 56.108 56.400 -0.665 0.000 0.876 496 E CB 1.471 30.861 29.700 -0.516 0.000 1.055 496 E HN 0.727 nan 8.360 nan 0.000 0.401 497 A N 3.325 126.012 122.820 -0.222 0.000 2.169 497 A HA -0.103 4.261 4.320 0.073 0.000 0.212 497 A C 0.981 178.560 177.584 -0.008 0.000 1.153 497 A CA 0.458 52.539 52.037 0.073 0.000 0.756 497 A CB -0.076 19.050 19.000 0.210 0.000 0.813 497 A HN 0.760 nan 8.150 nan 0.000 0.471 498 Q N -1.634 118.106 119.800 -0.100 0.000 2.374 498 Q HA -0.172 4.212 4.340 0.073 0.000 0.218 498 Q C 0.018 175.998 176.000 -0.034 0.000 0.691 498 Q CA 0.949 56.704 55.803 -0.080 0.000 1.340 498 Q CB -2.152 26.542 28.738 -0.074 0.000 1.498 498 Q HN 0.663 nan 8.270 nan 0.000 0.739 499 S N -1.473 114.218 115.700 -0.015 0.000 2.537 499 S HA 0.645 5.159 4.470 0.073 0.000 0.271 499 S C -0.203 174.401 174.600 0.007 0.000 1.148 499 S CA -0.095 58.119 58.200 0.023 0.000 0.868 499 S CB 1.898 65.164 63.200 0.110 0.000 1.115 499 S HN 0.409 nan 8.310 nan 0.000 0.461 500 G N 2.396 111.167 108.800 -0.048 0.000 2.491 500 G HA2 0.517 4.521 3.960 0.073 0.000 0.242 500 G HA3 0.517 4.521 3.960 0.073 0.000 0.242 500 G C -0.594 174.505 174.900 0.332 0.000 1.266 500 G CA -0.304 44.738 45.100 -0.097 0.000 0.844 500 G HN 0.749 nan 8.290 nan 0.000 0.571 501 I N 1.521 122.273 120.570 0.304 0.000 2.433 501 I HA 0.244 4.458 4.170 0.073 0.000 0.292 501 I C 0.830 177.142 176.117 0.325 0.000 1.001 501 I CA -0.820 60.667 61.300 0.311 0.000 1.119 501 I CB 2.246 40.365 38.000 0.198 0.000 1.289 501 I HN 0.411 nan 8.210 nan 0.000 0.438 502 V N 2.125 122.240 119.914 0.334 0.000 3.473 502 V HA 0.467 4.631 4.120 0.073 0.000 0.253 502 V C 0.950 177.193 176.094 0.248 0.000 1.340 502 V CA 0.167 62.615 62.300 0.247 0.000 1.103 502 V CB 0.130 32.181 31.823 0.379 0.000 0.881 502 V HN 0.636 nan 8.190 nan 0.000 0.451 503 A N 1.176 124.215 122.820 0.365 0.000 2.325 503 A HA 0.801 5.165 4.320 0.073 0.000 0.260 503 A C 0.512 178.234 177.584 0.230 0.000 1.133 503 A CA 0.358 52.621 52.037 0.378 0.000 0.801 503 A CB -0.017 19.171 19.000 0.313 0.000 1.092 503 A HN 1.422 nan 8.150 nan 0.000 0.504 504 A N 0.253 123.205 122.820 0.218 0.000 2.324 504 A HA 0.729 5.093 4.320 0.073 0.000 0.330 504 A C -2.712 174.929 177.584 0.095 0.000 1.165 504 A CA -1.761 50.374 52.037 0.164 0.000 0.813 504 A CB 0.385 19.496 19.000 0.184 0.000 1.197 504 A HN 0.561 nan 8.150 nan 0.000 0.484 505 P HA 0.554 nan 4.420 nan 0.000 0.274 505 P C -0.666 176.545 177.300 -0.148 0.000 1.237 505 P CA -0.194 62.903 63.100 -0.006 0.000 0.793 505 P CB 0.869 32.595 31.700 0.043 0.000 0.977 506 M N -1.034 118.366 119.600 -0.333 0.000 2.618 506 M HA 0.801 5.324 4.480 0.073 0.000 0.281 506 M C -0.744 175.336 176.300 -0.366 0.000 1.267 506 M CA -0.444 54.428 55.300 -0.714 0.000 0.845 506 M CB 1.691 33.415 32.600 -1.460 0.000 1.732 506 M HN 0.119 nan 8.290 nan 0.000 0.461 507 T N 1.046 115.498 114.554 -0.170 0.000 2.900 507 T HA 0.912 5.306 4.350 0.073 0.000 0.303 507 T C -1.924 172.855 174.700 0.133 0.000 1.142 507 T CA -0.508 61.531 62.100 -0.101 0.000 1.007 507 T CB 0.994 69.767 68.868 -0.159 0.000 1.156 507 T HN 1.004 nan 8.240 nan 0.000 0.490 508 F N 0.372 120.261 119.950 -0.103 0.000 2.745 508 F HA 0.812 5.381 4.527 0.070 0.000 0.316 508 F C -1.072 174.621 175.800 -0.178 0.000 1.155 508 F CA -1.163 56.743 58.000 -0.156 0.000 0.937 508 F CB 1.365 40.053 39.000 -0.520 0.000 1.361 508 F HN 0.556 nan 8.300 nan 0.000 0.472 509 E N 1.277 121.522 120.200 0.074 0.000 2.210 509 E HA 0.631 5.025 4.350 0.073 0.000 0.266 509 E C -2.221 174.517 176.600 0.229 0.000 0.883 509 E CA -1.039 55.401 56.400 0.067 0.000 0.761 509 E CB 2.398 32.148 29.700 0.082 0.000 1.156 509 E HN 0.764 nan 8.360 nan 0.000 0.412 510 L N 3.687 125.073 121.223 0.271 0.000 2.439 510 L HA 0.564 4.948 4.340 0.073 0.000 0.270 510 L C -0.470 176.553 176.870 0.255 0.000 0.972 510 L CA 0.245 55.289 54.840 0.340 0.000 0.836 510 L CB 1.564 43.862 42.059 0.397 0.000 1.255 510 L HN 0.712 nan 8.230 nan 0.000 0.404 511 A N 3.839 126.770 122.820 0.186 0.000 2.687 511 A HA 0.136 4.500 4.320 0.073 0.000 0.299 511 A C 1.516 179.152 177.584 0.086 0.000 1.497 511 A CA 1.430 53.540 52.037 0.121 0.000 0.751 511 A CB -2.270 16.797 19.000 0.112 0.000 1.048 511 A HN 2.631 nan 8.150 nan 0.000 0.464 512 G N -1.899 106.946 108.800 0.076 0.000 2.155 512 G HA2 -0.270 3.734 3.960 0.073 0.000 0.257 512 G HA3 -0.270 3.734 3.960 0.073 0.000 0.257 512 G C 0.096 174.986 174.900 -0.017 0.000 0.983 512 G CA 1.350 46.468 45.100 0.030 0.000 0.676 512 G HN 1.750 nan 8.290 nan 0.000 0.528 513 R N 0.136 120.624 120.500 -0.020 0.000 2.534 513 R HA 0.556 4.940 4.340 0.073 0.000 0.301 513 R C -0.024 176.090 176.300 -0.311 0.000 0.961 513 R CA -0.691 55.300 56.100 -0.181 0.000 0.871 513 R CB 0.876 31.052 30.300 -0.207 0.000 1.170 513 R HN 0.299 nan 8.270 nan 0.000 0.446 514 Q N 3.397 122.952 119.800 -0.408 0.000 2.267 514 Q HA 0.198 4.582 4.340 0.073 0.000 0.255 514 Q C -1.579 173.986 176.000 -0.726 0.000 0.923 514 Q CA -0.220 55.316 55.803 -0.444 0.000 0.925 514 Q CB 0.758 29.314 28.738 -0.304 0.000 1.195 514 Q HN 0.565 nan 8.270 nan 0.000 0.417 515 Y N 1.392 121.267 120.300 -0.707 0.000 2.499 515 Y HA 0.519 5.112 4.550 0.071 0.000 0.347 515 Y C -0.603 174.846 175.900 -0.753 0.000 0.987 515 Y CA -0.939 56.708 58.100 -0.755 0.000 1.044 515 Y CB 2.130 39.985 38.460 -1.008 0.000 1.245 515 Y HN 0.306 nan 8.280 nan 0.000 0.461 516 V N 2.719 122.416 119.914 -0.361 0.000 2.444 516 V HA 0.810 4.974 4.120 0.073 0.000 0.294 516 V C -0.390 175.612 176.094 -0.154 0.000 1.022 516 V CA -0.734 61.341 62.300 -0.375 0.000 0.850 516 V CB 1.125 32.565 31.823 -0.637 0.000 0.992 516 V HN 0.872 nan 8.190 nan 0.000 0.426 517 A N 5.236 127.974 122.820 -0.138 0.000 2.340 517 A HA 0.981 5.345 4.320 0.073 0.000 0.331 517 A C -1.136 176.423 177.584 -0.042 0.000 1.140 517 A CA -0.585 51.404 52.037 -0.081 0.000 0.801 517 A CB 1.548 20.521 19.000 -0.045 0.000 1.234 517 A HN 0.856 nan 8.150 nan 0.000 0.469 518 I N 1.274 121.851 120.570 0.012 0.000 2.692 518 I HA 0.457 4.670 4.170 0.073 0.000 0.293 518 I C -1.174 174.981 176.117 0.064 0.000 1.200 518 I CA -0.761 60.579 61.300 0.067 0.000 1.036 518 I CB 1.938 40.037 38.000 0.165 0.000 1.258 518 I HN 0.558 nan 8.210 nan 0.000 0.421 519 M N 6.915 126.565 119.600 0.084 0.000 2.135 519 M HA 0.454 4.977 4.480 0.073 0.000 0.345 519 M C -0.137 176.252 176.300 0.148 0.000 1.340 519 M CA -0.294 55.065 55.300 0.100 0.000 1.162 519 M CB 0.323 32.990 32.600 0.111 0.000 1.570 519 M HN 0.718 nan 8.290 nan 0.000 0.454 520 A N 3.184 126.090 122.820 0.143 0.000 2.294 520 A HA 0.736 5.100 4.320 0.073 0.000 0.316 520 A C 0.586 178.282 177.584 0.186 0.000 1.359 520 A CA -0.372 51.770 52.037 0.176 0.000 0.956 520 A CB 0.060 19.157 19.000 0.162 0.000 1.155 520 A HN 0.929 nan 8.150 nan 0.000 0.544 521 G N 2.250 111.192 108.800 0.237 0.000 2.107 521 G HA2 0.333 4.336 3.960 0.073 0.000 0.297 521 G HA3 0.333 4.336 3.960 0.073 0.000 0.297 521 G C -0.392 174.713 174.900 0.342 0.000 1.543 521 G CA -0.497 44.753 45.100 0.250 0.000 1.115 521 G HN 0.790 nan 8.290 nan 0.000 0.550 522 W N 3.032 124.423 121.300 0.152 0.000 2.343 522 W HA 0.400 5.109 4.660 0.080 0.000 0.337 522 W C 0.353 176.997 176.519 0.208 0.000 1.320 522 W CA 1.672 59.128 57.345 0.186 0.000 1.290 522 W CB 0.881 30.426 29.460 0.141 0.000 1.206 522 W HN 0.856 nan 8.180 nan 0.000 0.565 523 G N 2.536 111.225 108.800 -0.184 0.000 2.348 523 G HA2 0.515 4.518 3.960 0.073 0.000 0.296 523 G HA3 0.515 4.518 3.960 0.073 0.000 0.296 523 G C -0.582 174.346 174.900 0.047 0.000 1.258 523 G CA 0.122 45.129 45.100 -0.154 0.000 0.868 523 G HN 1.351 nan 8.290 nan 0.000 0.488 524 G N -2.484 106.393 108.800 0.129 0.000 2.612 524 G HA2 0.267 4.271 3.960 0.073 0.000 0.686 524 G HA3 0.267 4.271 3.960 0.073 0.000 0.686 524 G C 0.816 175.837 174.900 0.203 0.000 1.274 524 G CA 0.386 45.721 45.100 0.392 0.000 0.849 524 G HN 1.908 nan 8.290 nan 0.000 0.595 525 V N 0.982 121.064 119.914 0.279 0.000 2.324 525 V HA -0.032 4.132 4.120 0.073 0.000 0.250 525 V C 3.193 179.239 176.094 -0.080 0.000 1.060 525 V CA 3.736 66.105 62.300 0.116 0.000 1.042 525 V CB -0.958 30.993 31.823 0.213 0.000 0.650 525 V HN 2.176 nan 8.190 nan 0.000 0.450 526 A N -0.172 122.299 122.820 -0.581 0.000 1.978 526 A HA -0.225 4.138 4.320 0.073 0.000 0.220 526 A C 2.411 179.670 177.584 -0.541 0.000 1.170 526 A CA 2.574 54.113 52.037 -0.830 0.000 0.636 526 A CB -1.072 16.714 19.000 -2.023 0.000 0.810 526 A HN 0.770 nan 8.150 nan 0.000 0.448 527 T N -2.380 111.857 114.554 -0.529 0.000 3.035 527 T HA 0.103 4.497 4.350 0.073 0.000 0.268 527 T C 1.630 176.261 174.700 -0.115 0.000 1.109 527 T CA 1.177 63.086 62.100 -0.318 0.000 1.119 527 T CB -0.317 68.240 68.868 -0.519 0.000 0.900 527 T HN 0.337 nan 8.240 nan 0.000 0.503 528 L N 1.338 122.504 121.223 -0.094 0.000 2.221 528 L HA 0.097 4.481 4.340 0.073 0.000 0.202 528 L C 3.135 180.010 176.870 0.008 0.000 1.074 528 L CA 1.340 56.164 54.840 -0.026 0.000 0.795 528 L CB -0.887 41.162 42.059 -0.017 0.000 0.960 528 L HN 0.400 nan 8.230 nan 0.000 0.458 529 T N -2.477 112.097 114.554 0.033 0.000 3.035 529 T HA 0.132 4.526 4.350 0.073 0.000 0.268 529 T C 1.450 176.179 174.700 0.048 0.000 1.109 529 T CA 0.481 62.625 62.100 0.074 0.000 1.119 529 T CB -0.358 68.643 68.868 0.222 0.000 0.900 529 T HN 0.485 nan 8.240 nan 0.000 0.503 530 G N 1.683 110.490 108.800 0.011 0.000 2.622 530 G HA2 0.192 4.196 3.960 0.073 0.000 0.307 530 G HA3 0.192 4.196 3.960 0.073 0.000 0.307 530 G C 0.543 175.456 174.900 0.021 0.000 1.226 530 G CA 0.305 45.421 45.100 0.027 0.000 0.997 530 G HN 2.047 nan 8.290 nan 0.000 0.551 531 G N -1.770 107.056 108.800 0.044 0.000 2.663 531 G HA2 0.238 4.242 3.960 0.073 0.000 0.686 531 G HA3 0.238 4.242 3.960 0.073 0.000 0.686 531 G C 0.482 175.408 174.900 0.044 0.000 1.288 531 G CA 0.900 46.022 45.100 0.038 0.000 0.836 531 G HN 1.580 nan 8.290 nan 0.000 0.584 532 E N -0.126 120.098 120.200 0.040 0.000 2.097 532 E HA -0.220 4.174 4.350 0.073 0.000 0.196 532 E C 2.731 179.362 176.600 0.052 0.000 1.000 532 E CA 2.445 58.869 56.400 0.040 0.000 0.804 532 E CB -0.240 29.480 29.700 0.033 0.000 0.740 532 E HN 0.941 nan 8.360 nan 0.000 0.454 533 S N -0.107 115.632 115.700 0.066 0.000 2.442 533 S HA -0.105 4.408 4.470 0.073 0.000 0.236 533 S C 1.697 176.352 174.600 0.092 0.000 1.007 533 S CA 0.872 59.129 58.200 0.093 0.000 0.965 533 S CB -0.010 63.282 63.200 0.153 0.000 0.773 533 S HN 0.228 nan 8.310 nan 0.000 0.504 534 M N 1.205 120.858 119.600 0.089 0.000 2.453 534 M HA 0.307 4.830 4.480 0.073 0.000 0.239 534 M C -0.116 176.276 176.300 0.154 0.000 1.151 534 M CA 0.317 55.706 55.300 0.148 0.000 0.989 534 M CB -0.944 31.720 32.600 0.107 0.000 1.548 534 M HN 0.320 nan 8.290 nan 0.000 0.479 535 N N 0.033 118.783 118.700 0.083 0.000 2.351 535 N HA 0.322 5.106 4.740 0.073 0.000 0.254 535 N C -0.514 175.003 175.510 0.011 0.000 1.241 535 N CA -0.062 53.020 53.050 0.055 0.000 0.883 535 N CB 0.998 39.517 38.487 0.053 0.000 1.202 535 N HN 0.186 nan 8.380 nan 0.000 0.512 536 L N 0.552 121.769 121.223 -0.010 0.000 2.439 536 L HA 0.493 4.877 4.340 0.073 0.000 0.259 536 L C -1.843 174.979 176.870 -0.080 0.000 1.129 536 L CA -1.962 52.858 54.840 -0.033 0.000 0.803 536 L CB 0.233 42.278 42.059 -0.024 0.000 1.161 536 L HN -0.120 nan 8.230 nan 0.000 0.462 537 P HA 0.025 nan 4.420 nan 0.000 0.265 537 P C 0.621 177.830 177.300 -0.152 0.000 1.187 537 P CA 0.953 63.997 63.100 -0.095 0.000 0.766 537 P CB 0.565 32.222 31.700 -0.070 0.000 0.820 538 G N 2.310 111.006 108.800 -0.175 0.000 2.253 538 G HA2 -0.308 3.695 3.960 0.073 0.000 0.251 538 G HA3 -0.308 3.695 3.960 0.073 0.000 0.251 538 G C 0.412 175.067 174.900 -0.408 0.000 0.998 538 G CA -0.028 44.929 45.100 -0.238 0.000 0.621 538 G HN 0.508 nan 8.290 nan 0.000 0.524 539 M N 1.506 120.811 119.600 -0.491 0.000 3.706 539 M HA 0.331 4.855 4.480 0.073 0.000 0.204 539 M C 0.288 176.194 176.300 -0.657 0.000 1.455 539 M CA 0.708 55.433 55.300 -0.959 0.000 1.659 539 M CB 0.008 32.217 32.600 -0.651 0.000 1.076 539 M HN 0.130 nan 8.290 nan 0.000 0.577 540 K N 0.713 120.853 120.400 -0.433 0.000 2.435 540 K HA 0.381 4.745 4.320 0.073 0.000 0.251 540 K C -0.890 175.767 176.600 0.094 0.000 0.954 540 K CA -0.830 55.422 56.287 -0.058 0.000 0.820 540 K CB 2.230 34.710 32.500 -0.033 0.000 1.292 540 K HN 0.168 nan 8.250 nan 0.000 0.436 541 N N 1.292 120.130 118.700 0.230 0.000 2.426 541 N HA 0.153 4.937 4.740 0.073 0.000 0.257 541 N C -1.095 174.509 175.510 0.157 0.000 1.002 541 N CA -0.408 52.793 53.050 0.252 0.000 0.942 541 N CB 0.572 39.225 38.487 0.276 0.000 1.112 541 N HN 0.333 nan 8.380 nan 0.000 0.499 542 R N 2.597 123.179 120.500 0.138 0.000 2.629 542 R HA 0.185 4.569 4.340 0.073 0.000 0.275 542 R C -0.901 175.468 176.300 0.116 0.000 1.719 542 R CA -0.579 55.583 56.100 0.104 0.000 1.472 542 R CB 1.053 31.391 30.300 0.063 0.000 1.237 542 R HN 0.464 nan 8.270 nan 0.000 0.589 543 S N 2.632 118.410 115.700 0.130 0.000 2.555 543 S HA 0.125 4.639 4.470 0.073 0.000 0.293 543 S C 0.188 174.860 174.600 0.120 0.000 1.248 543 S CA 0.401 58.680 58.200 0.131 0.000 1.096 543 S CB 0.246 63.525 63.200 0.131 0.000 0.881 543 S HN 0.384 nan 8.310 nan 0.000 0.498 544 R N 1.055 121.624 120.500 0.116 0.000 2.680 544 R HA 0.413 4.797 4.340 0.073 0.000 0.269 544 R C -1.636 174.711 176.300 0.078 0.000 1.026 544 R CA -1.011 55.156 56.100 0.112 0.000 0.889 544 R CB 1.228 31.596 30.300 0.113 0.000 1.241 544 R HN 0.425 nan 8.270 nan 0.000 0.463 545 L N 3.165 124.418 121.223 0.049 0.000 2.265 545 L HA 0.474 4.858 4.340 0.073 0.000 0.289 545 L C -1.437 175.351 176.870 -0.137 0.000 1.033 545 L CA -0.013 54.805 54.840 -0.037 0.000 0.814 545 L CB 0.836 42.861 42.059 -0.056 0.000 1.203 545 L HN 0.454 nan 8.230 nan 0.000 0.423 546 L N 6.100 127.215 121.223 -0.180 0.000 2.307 546 L HA 0.677 5.060 4.340 0.073 0.000 0.284 546 L C -0.768 175.735 176.870 -0.611 0.000 1.023 546 L CA -0.920 53.688 54.840 -0.387 0.000 0.810 546 L CB 1.837 43.729 42.059 -0.277 0.000 1.231 546 L HN 0.334 nan 8.230 nan 0.000 0.423 547 V N 3.085 122.433 119.914 -0.943 0.000 2.444 547 V HA 0.481 4.645 4.120 0.073 0.000 0.294 547 V C -0.495 175.120 176.094 -0.797 0.000 1.022 547 V CA -0.477 61.309 62.300 -0.858 0.000 0.850 547 V CB 1.462 32.483 31.823 -1.338 0.000 0.992 547 V HN 0.390 nan 8.190 nan 0.000 0.426 548 F N 2.347 122.114 119.950 -0.305 0.000 2.523 548 F HA 0.945 5.514 4.527 0.070 0.000 0.329 548 F C 0.468 176.099 175.800 -0.282 0.000 1.061 548 F CA -0.566 57.259 58.000 -0.291 0.000 0.967 548 F CB 2.043 40.812 39.000 -0.384 0.000 1.218 548 F HN 0.661 nan 8.300 nan 0.000 0.480 549 A N 1.017 123.774 122.820 -0.106 0.000 2.608 549 A HA 0.606 4.970 4.320 0.073 0.000 0.292 549 A C -1.426 176.025 177.584 -0.222 0.000 1.066 549 A CA -0.920 50.947 52.037 -0.283 0.000 0.676 549 A CB 0.819 19.560 19.000 -0.431 0.000 1.277 549 A HN 0.718 nan 8.150 nan 0.000 0.413 550 L N 1.977 123.049 121.223 -0.252 0.000 2.578 550 L HA 0.089 4.473 4.340 0.073 0.000 0.279 550 L C 0.022 176.822 176.870 -0.116 0.000 1.227 550 L CA 0.649 55.379 54.840 -0.184 0.000 0.900 550 L CB -0.087 41.869 42.059 -0.171 0.000 1.144 550 L HN 0.838 nan 8.230 nan 0.000 0.496 551 D N 1.268 121.625 120.400 -0.073 0.000 2.870 551 D HA -0.134 4.549 4.640 0.073 0.000 0.228 551 D C 0.621 176.923 176.300 0.004 0.000 1.147 551 D CA 1.055 55.042 54.000 -0.023 0.000 0.757 551 D CB -1.102 39.683 40.800 -0.025 0.000 1.091 551 D HN 0.844 nan 8.370 nan 0.000 0.429 552 G N 0.990 109.795 108.800 0.008 0.000 2.398 552 G HA2 0.227 4.231 3.960 0.073 0.000 0.246 552 G HA3 0.227 4.231 3.960 0.073 0.000 0.246 552 G C 1.211 176.159 174.900 0.080 0.000 1.289 552 G CA -0.177 44.949 45.100 0.044 0.000 0.869 552 G HN 0.128 nan 8.290 nan 0.000 0.543 553 K N 1.070 121.524 120.400 0.091 0.000 2.387 553 K HA 0.369 4.733 4.320 0.073 0.000 0.203 553 K C 0.737 177.413 176.600 0.126 0.000 1.030 553 K CA 0.054 56.402 56.287 0.102 0.000 1.099 553 K CB 0.012 32.560 32.500 0.079 0.000 0.863 553 K HN 0.444 nan 8.250 nan 0.000 0.529 554 A N 1.373 124.280 122.820 0.146 0.000 2.386 554 A HA 0.356 4.720 4.320 0.073 0.000 0.248 554 A C -0.589 177.115 177.584 0.201 0.000 1.082 554 A CA -0.006 52.149 52.037 0.197 0.000 0.789 554 A CB 0.236 19.391 19.000 0.259 0.000 1.025 554 A HN 0.413 nan 8.150 nan 0.000 0.490 555 Q N 0.290 120.216 119.800 0.211 0.000 2.331 555 Q HA 0.502 4.885 4.340 0.073 0.000 0.272 555 Q C -1.387 174.649 176.000 0.060 0.000 1.062 555 Q CA -0.493 55.399 55.803 0.148 0.000 0.806 555 Q CB 2.244 31.051 28.738 0.116 0.000 1.312 555 Q HN 0.701 nan 8.270 nan 0.000 0.431 556 L N 3.960 125.148 121.223 -0.059 0.000 2.349 556 L HA 0.443 4.827 4.340 0.073 0.000 0.275 556 L C -1.794 175.031 176.870 -0.075 0.000 1.115 556 L CA -1.695 53.010 54.840 -0.224 0.000 0.820 556 L CB 0.227 42.139 42.059 -0.245 0.000 1.135 556 L HN 0.382 nan 8.230 nan 0.000 0.445 557 P HA 0.281 nan 4.420 nan 0.000 0.274 557 P C -2.687 174.604 177.300 -0.015 0.000 1.231 557 P CA -1.585 61.522 63.100 0.011 0.000 0.790 557 P CB 0.174 31.907 31.700 0.056 0.000 0.951 558 P HA 0.298 nan 4.420 nan 0.000 0.276 558 P C -2.207 175.087 177.300 -0.009 0.000 1.235 558 P CA -0.822 62.266 63.100 -0.021 0.000 0.772 558 P CB -0.881 30.810 31.700 -0.016 0.000 0.871 559 P HA 0.254 nan 4.420 nan 0.000 0.272 559 P C -0.717 176.585 177.300 0.004 0.000 1.230 559 P CA -0.298 62.801 63.100 -0.000 0.000 0.788 559 P CB 0.519 32.216 31.700 -0.006 0.000 0.949 560 A N 2.727 125.554 122.820 0.012 0.000 2.363 560 A HA 0.503 4.866 4.320 0.073 0.000 0.270 560 A C -1.917 175.674 177.584 0.012 0.000 1.121 560 A CA -1.051 50.993 52.037 0.013 0.000 0.800 560 A CB -1.153 17.859 19.000 0.019 0.000 1.052 560 A HN 0.449 nan 8.150 nan 0.000 0.493 561 P HA 0.326 nan 4.420 nan 0.000 0.267 561 P C -0.002 177.306 177.300 0.014 0.000 1.200 561 P CA 0.127 63.231 63.100 0.008 0.000 0.772 561 P CB 0.526 32.230 31.700 0.006 0.000 0.855 562 A N 3.827 126.656 122.820 0.016 0.000 2.462 562 A HA 0.365 4.729 4.320 0.073 0.000 0.243 562 A C -1.602 175.996 177.584 0.022 0.000 1.076 562 A CA -0.752 51.299 52.037 0.022 0.000 0.773 562 A CB -1.309 17.706 19.000 0.025 0.000 1.010 562 A HN 0.470 nan 8.150 nan 0.000 0.493 563 P HA 0.320 nan 4.420 nan 0.000 0.273 563 P C 0.090 177.405 177.300 0.024 0.000 1.258 563 P CA 0.164 63.278 63.100 0.024 0.000 0.802 563 P CB 0.279 31.995 31.700 0.027 0.000 1.040 564 A N 0.605 123.439 122.820 0.023 0.000 2.445 564 A HA 0.348 4.712 4.320 0.073 0.000 0.242 564 A C 0.155 177.756 177.584 0.029 0.000 1.075 564 A CA 0.553 52.604 52.037 0.024 0.000 0.777 564 A CB -0.354 18.659 19.000 0.022 0.000 1.013 564 A HN 0.383 nan 8.150 nan 0.000 0.493 565 K N 1.769 122.188 120.400 0.032 0.000 2.803 565 K HA 0.364 4.728 4.320 0.073 0.000 0.229 565 K C -1.369 175.256 176.600 0.042 0.000 1.084 565 K CA -0.179 56.130 56.287 0.037 0.000 1.063 565 K CB 1.261 33.785 32.500 0.041 0.000 1.254 565 K HN 0.368 nan 8.250 nan 0.000 0.551 566 V N 4.468 124.405 119.914 0.039 0.000 2.381 566 V HA 0.045 4.209 4.120 0.073 0.000 0.257 566 V C 0.496 176.621 176.094 0.052 0.000 1.057 566 V CA -0.460 61.866 62.300 0.044 0.000 1.013 566 V CB -0.263 31.579 31.823 0.032 0.000 1.069 566 V HN 0.629 nan 8.190 nan 0.000 0.484 567 E N 5.858 126.104 120.200 0.078 0.000 2.414 567 E HA 0.074 4.468 4.350 0.073 0.000 0.263 567 E C 0.392 177.034 176.600 0.071 0.000 1.000 567 E CA -0.656 55.801 56.400 0.095 0.000 0.914 567 E CB 0.913 30.709 29.700 0.160 0.000 0.948 567 E HN 0.643 nan 8.360 nan 0.000 0.444 568 R N 2.693 123.204 120.500 0.019 0.000 2.623 568 R HA 0.062 4.446 4.340 0.073 0.000 0.271 568 R C -0.859 175.330 176.300 -0.186 0.000 1.043 568 R CA -0.423 55.644 56.100 -0.054 0.000 1.083 568 R CB 0.668 30.934 30.300 -0.058 0.000 0.974 568 R HN 0.508 nan 8.270 nan 0.000 0.436 569 V N 7.289 127.055 119.914 -0.246 0.000 2.339 569 V HA 0.205 4.369 4.120 0.073 0.000 0.261 569 V C -1.947 173.879 176.094 -0.447 0.000 1.058 569 V CA -1.739 60.253 62.300 -0.513 0.000 0.897 569 V CB 0.806 32.475 31.823 -0.256 0.000 1.052 569 V HN 0.836 nan 8.190 nan 0.000 0.480 570 P HA 0.084 nan 4.420 nan 0.000 0.262 570 P C -0.083 177.233 177.300 0.026 0.000 1.199 570 P CA 0.082 63.056 63.100 -0.210 0.000 0.763 570 P CB 0.318 31.925 31.700 -0.155 0.000 0.790 571 Q N 4.318 124.122 119.800 0.007 0.000 2.340 571 Q HA 0.237 4.621 4.340 0.073 0.000 0.249 571 Q C -2.041 173.909 176.000 -0.083 0.000 0.957 571 Q CA -1.789 54.016 55.803 0.003 0.000 0.882 571 Q CB -0.166 28.538 28.738 -0.056 0.000 1.235 571 Q HN 0.332 nan 8.270 nan 0.000 0.439 572 P HA -0.058 nan 4.420 nan 0.000 0.264 572 P C -0.748 176.253 177.300 -0.499 0.000 1.183 572 P CA 0.096 62.766 63.100 -0.717 0.000 0.763 572 P CB 0.450 31.927 31.700 -0.370 0.000 0.807 573 V N 4.661 124.222 119.914 -0.589 0.000 2.294 573 V HA 0.248 4.411 4.120 0.073 0.000 0.272 573 V C -0.500 175.454 176.094 -0.233 0.000 1.027 573 V CA -0.054 62.059 62.300 -0.312 0.000 0.823 573 V CB 0.372 32.050 31.823 -0.242 0.000 1.030 573 V HN 0.484 nan 8.190 nan 0.000 0.457 574 T N 6.615 121.067 114.554 -0.171 0.000 2.806 574 T HA 0.818 5.212 4.350 0.073 0.000 0.290 574 T C -0.034 174.613 174.700 -0.088 0.000 0.966 574 T CA 0.246 62.274 62.100 -0.119 0.000 1.060 574 T CB 1.306 70.115 68.868 -0.098 0.000 0.927 574 T HN 1.253 nan 8.240 nan 0.000 0.485 575 A N 2.042 124.822 122.820 -0.068 0.000 2.597 575 A HA 0.791 5.155 4.320 0.073 0.000 0.292 575 A C -0.567 176.998 177.584 -0.033 0.000 1.057 575 A CA -0.889 51.118 52.037 -0.049 0.000 0.674 575 A CB 0.593 19.564 19.000 -0.049 0.000 1.278 575 A HN 1.074 nan 8.150 nan 0.000 0.416 576 A N 1.929 124.734 122.820 -0.025 0.000 2.520 576 A HA 0.541 4.905 4.320 0.073 0.000 0.245 576 A C -1.450 176.128 177.584 -0.010 0.000 1.072 576 A CA -0.543 51.484 52.037 -0.017 0.000 0.761 576 A CB -0.479 18.512 19.000 -0.015 0.000 1.004 576 A HN 0.514 nan 8.150 nan 0.000 0.499 577 P HA -0.260 nan 4.420 nan 0.000 0.216 577 P C 1.477 178.778 177.300 0.002 0.000 1.157 577 P CA 1.815 64.916 63.100 0.002 0.000 0.880 577 P CB 0.109 31.810 31.700 0.003 0.000 0.791 578 E N -0.299 119.900 120.200 -0.002 0.000 2.153 578 E HA -0.237 4.157 4.350 0.073 0.000 0.194 578 E C 1.676 178.273 176.600 -0.006 0.000 0.988 578 E CA 1.247 57.645 56.400 -0.004 0.000 0.811 578 E CB -0.977 28.720 29.700 -0.005 0.000 0.746 578 E HN 0.283 nan 8.360 nan 0.000 0.466 579 Q N 0.794 120.591 119.800 -0.005 0.000 2.079 579 Q HA -0.024 4.360 4.340 0.073 0.000 0.200 579 Q C 2.606 178.608 176.000 0.004 0.000 0.974 579 Q CA 1.253 57.052 55.803 -0.005 0.000 0.840 579 Q CB -0.404 28.327 28.738 -0.011 0.000 0.898 579 Q HN 0.279 nan 8.270 nan 0.000 0.430 580 V N 1.185 121.108 119.914 0.015 0.000 2.358 580 V HA -0.249 3.915 4.120 0.073 0.000 0.246 580 V C 2.418 178.530 176.094 0.030 0.000 1.047 580 V CA 1.879 64.210 62.300 0.053 0.000 1.035 580 V CB -0.589 31.273 31.823 0.064 0.000 0.658 580 V HN 0.292 nan 8.190 nan 0.000 0.452 581 Q N 0.964 120.763 119.800 -0.001 0.000 2.124 581 Q HA -0.148 4.235 4.340 0.073 0.000 0.202 581 Q C 2.099 178.054 176.000 -0.074 0.000 0.977 581 Q CA 2.270 58.050 55.803 -0.040 0.000 0.850 581 Q CB -0.658 28.067 28.738 -0.020 0.000 0.901 581 Q HN 0.581 nan 8.270 nan 0.000 0.429 582 A N -0.322 122.473 122.820 -0.043 0.000 1.902 582 A HA -0.029 4.335 4.320 0.073 0.000 0.217 582 A C 2.304 179.854 177.584 -0.056 0.000 1.181 582 A CA 1.629 53.643 52.037 -0.038 0.000 0.623 582 A CB -1.341 17.649 19.000 -0.016 0.000 0.818 582 A HN 0.550 nan 8.150 nan 0.000 0.443 583 G N -0.388 108.381 108.800 -0.052 0.000 2.408 583 G HA2 -0.246 3.757 3.960 0.073 0.000 0.217 583 G HA3 -0.246 3.757 3.960 0.073 0.000 0.217 583 G C 1.622 176.343 174.900 -0.298 0.000 1.150 583 G CA 1.175 46.252 45.100 -0.040 0.000 0.776 583 G HN 0.600 nan 8.290 nan 0.000 0.542 584 K N 0.100 120.130 120.400 -0.617 0.000 2.032 584 K HA -0.153 4.210 4.320 0.073 0.000 0.209 584 K C 2.569 178.862 176.600 -0.513 0.000 1.048 584 K CA 1.641 57.195 56.287 -1.221 0.000 0.927 584 K CB -0.206 31.863 32.500 -0.719 0.000 0.712 584 K HN 0.392 nan 8.250 nan 0.000 0.441 585 Q N 0.387 120.037 119.800 -0.250 0.000 2.046 585 Q HA -0.107 4.277 4.340 0.073 0.000 0.200 585 Q C 2.320 178.291 176.000 -0.048 0.000 0.975 585 Q CA 1.512 57.243 55.803 -0.119 0.000 0.836 585 Q CB -0.082 28.614 28.738 -0.071 0.000 0.896 585 Q HN 0.316 nan 8.270 nan 0.000 0.428 586 L N -0.423 120.801 121.223 0.002 0.000 2.042 586 L HA -0.238 4.145 4.340 0.073 0.000 0.210 586 L C 2.405 179.358 176.870 0.138 0.000 1.076 586 L CA 1.369 56.284 54.840 0.124 0.000 0.749 586 L CB -0.506 41.608 42.059 0.091 0.000 0.893 586 L HN 0.297 nan 8.230 nan 0.000 0.432 587 Y N 0.671 120.947 120.300 -0.041 0.000 2.145 587 Y HA -0.187 4.407 4.550 0.073 0.000 0.286 587 Y C 2.349 178.235 175.900 -0.022 0.000 1.145 587 Y CA 1.662 59.765 58.100 0.005 0.000 1.148 587 Y CB -0.607 37.889 38.460 0.058 0.000 0.981 587 Y HN 0.068 nan 8.280 nan 0.000 0.507 588 G N -0.493 108.310 108.800 0.004 0.000 2.422 588 G HA2 -0.260 3.744 3.960 0.073 0.000 0.218 588 G HA3 -0.260 3.744 3.960 0.073 0.000 0.218 588 G C 1.405 176.172 174.900 -0.222 0.000 1.146 588 G CA 1.005 46.045 45.100 -0.101 0.000 0.769 588 G HN 0.522 nan 8.290 nan 0.000 0.547 589 Q N -1.086 118.596 119.800 -0.197 0.000 2.123 589 Q HA 0.086 4.470 4.340 0.073 0.000 0.199 589 Q C 1.891 177.563 176.000 -0.547 0.000 0.966 589 Q CA 1.004 56.596 55.803 -0.352 0.000 0.845 589 Q CB -0.040 28.480 28.738 -0.363 0.000 0.907 589 Q HN 0.600 nan 8.270 nan 0.000 0.439 590 F N -2.360 117.460 119.950 -0.216 0.000 2.680 590 F HA 0.088 4.660 4.527 0.074 0.000 0.290 590 F C 1.623 177.211 175.800 -0.353 0.000 1.114 590 F CA -0.082 57.781 58.000 -0.229 0.000 1.333 590 F CB 0.582 39.412 39.000 -0.284 0.000 1.091 590 F HN 0.078 nan 8.300 nan 0.000 0.606 591 C N -1.279 117.798 119.300 -0.372 0.000 2.964 591 C HA 0.071 4.575 4.460 0.073 0.000 0.358 591 C C 2.802 177.479 174.990 -0.521 0.000 1.289 591 C CA 0.387 59.125 59.018 -0.467 0.000 1.856 591 C CB -0.685 26.684 27.740 -0.619 0.000 2.488 591 C HN 0.457 nan 8.230 nan 0.000 0.604 592 S N 3.126 118.393 115.700 -0.722 0.000 2.402 592 S HA -0.191 4.323 4.470 0.073 0.000 0.233 592 S C 1.773 176.259 174.600 -0.190 0.000 1.030 592 S CA 1.906 59.902 58.200 -0.340 0.000 1.003 592 S CB -1.249 61.825 63.200 -0.210 0.000 0.813 592 S HN 0.796 nan 8.310 nan 0.000 0.477 593 V N -1.651 118.087 119.914 -0.294 0.000 3.026 593 V HA -0.007 4.157 4.120 0.073 0.000 0.265 593 V C 1.866 177.881 176.094 -0.131 0.000 1.121 593 V CA 1.177 63.310 62.300 -0.278 0.000 1.142 593 V CB -1.542 29.906 31.823 -0.625 0.000 0.730 593 V HN 0.723 nan 8.190 nan 0.000 0.503 594 C N -1.178 118.050 119.300 -0.121 0.000 3.054 594 C HA 0.341 4.845 4.460 0.073 0.000 0.527 594 C C 2.152 177.015 174.990 -0.212 0.000 1.347 594 C CA 0.235 59.160 59.018 -0.155 0.000 2.453 594 C CB -0.442 27.181 27.740 -0.194 0.000 3.406 594 C HN 0.630 nan 8.230 nan 0.000 0.562 595 H N 0.990 120.088 119.070 0.047 0.000 2.539 595 H HA 0.317 4.918 4.556 0.075 0.000 0.269 595 H C 1.162 176.604 175.328 0.190 0.000 0.980 595 H CA 1.347 57.479 56.048 0.141 0.000 1.152 595 H CB 0.122 30.016 29.762 0.220 0.000 1.407 595 H HN 0.590 nan 8.280 nan 0.000 0.564 596 G N 1.200 110.127 108.800 0.211 0.000 2.788 596 G HA2 -0.195 3.808 3.960 0.073 0.000 0.686 596 G HA3 -0.195 3.808 3.960 0.073 0.000 0.686 596 G C -0.256 174.798 174.900 0.257 0.000 1.147 596 G CA -0.644 44.569 45.100 0.188 0.000 0.755 596 G HN 0.117 nan 8.290 nan 0.000 0.634 597 M N 1.520 121.206 119.600 0.144 0.000 2.252 597 M HA 0.361 4.884 4.480 0.073 0.000 0.348 597 M C 1.672 178.076 176.300 0.175 0.000 1.334 597 M CA 1.876 57.257 55.300 0.135 0.000 1.071 597 M CB 0.435 33.045 32.600 0.018 0.000 1.763 597 M HN 2.346 nan 8.290 nan 0.000 0.452 598 G N 2.118 111.059 108.800 0.236 0.000 2.187 598 G HA2 -0.354 3.649 3.960 0.073 0.000 0.261 598 G HA3 -0.354 3.649 3.960 0.073 0.000 0.261 598 G C 0.588 175.475 174.900 -0.020 0.000 1.000 598 G CA 1.261 46.447 45.100 0.143 0.000 0.718 598 G HN 1.442 nan 8.290 nan 0.000 0.519 599 T N -4.261 110.302 114.554 0.015 0.000 6.386 599 T HA -0.296 4.098 4.350 0.073 0.000 0.278 599 T C 0.712 175.444 174.700 0.053 0.000 2.163 599 T CA 1.536 63.605 62.100 -0.052 0.000 3.541 599 T CB -2.379 66.275 68.868 -0.356 0.000 1.383 599 T HN 1.477 nan 8.240 nan 0.000 1.186 600 I N 2.725 123.340 120.570 0.074 0.000 2.270 600 I HA 0.316 4.530 4.170 0.073 0.000 0.300 600 I C 1.114 177.293 176.117 0.103 0.000 1.186 600 I CA -0.198 61.143 61.300 0.068 0.000 1.431 600 I CB 0.270 38.300 38.000 0.050 0.000 1.485 600 I HN 0.401 nan 8.210 nan 0.000 0.650 601 S N 3.665 119.440 115.700 0.126 0.000 2.566 601 S HA 0.112 4.626 4.470 0.073 0.000 0.280 601 S C 1.413 176.083 174.600 0.116 0.000 1.343 601 S CA 0.124 58.408 58.200 0.141 0.000 1.036 601 S CB 1.008 64.309 63.200 0.169 0.000 0.866 601 S HN 0.747 nan 8.310 nan 0.000 0.526 602 G N 0.954 109.821 108.800 0.112 0.000 3.042 602 G HA2 0.428 4.432 3.960 0.073 0.000 0.212 602 G HA3 0.428 4.432 3.960 0.073 0.000 0.212 602 G C 1.017 176.023 174.900 0.177 0.000 1.166 602 G CA 0.276 45.456 45.100 0.134 0.000 0.767 602 G HN 1.696 nan 8.290 nan 0.000 0.546 603 G N -0.495 108.394 108.800 0.148 0.000 2.213 603 G HA2 -0.263 3.740 3.960 0.073 0.000 0.236 603 G HA3 -0.263 3.740 3.960 0.073 0.000 0.236 603 G C 1.041 176.032 174.900 0.152 0.000 0.991 603 G CA 0.493 45.685 45.100 0.154 0.000 0.629 603 G HN 0.282 nan 8.290 nan 0.000 0.517 604 L N 0.364 121.668 121.223 0.135 0.000 2.307 604 L HA 0.534 4.918 4.340 0.073 0.000 0.211 604 L C 1.228 178.156 176.870 0.096 0.000 1.099 604 L CA 1.048 55.958 54.840 0.117 0.000 0.816 604 L CB 0.171 42.279 42.059 0.081 0.000 0.952 604 L HN 0.417 nan 8.230 nan 0.000 0.455 605 I N -0.942 119.674 120.570 0.077 0.000 2.608 605 I HA 0.324 4.538 4.170 0.073 0.000 0.295 605 I C -2.221 173.976 176.117 0.132 0.000 1.049 605 I CA -2.165 59.167 61.300 0.054 0.000 1.063 605 I CB 1.954 39.894 38.000 -0.099 0.000 1.248 605 I HN -0.225 nan 8.210 nan 0.000 0.424 606 P HA -0.107 nan 4.420 nan 0.000 0.264 606 P C -0.910 176.579 177.300 0.315 0.000 1.173 606 P CA 0.171 63.414 63.100 0.237 0.000 0.761 606 P CB 0.352 32.193 31.700 0.235 0.000 0.794 607 D N 2.856 123.377 120.400 0.201 0.000 2.365 607 D HA 0.053 4.737 4.640 0.073 0.000 0.237 607 D C 1.147 177.516 176.300 0.115 0.000 1.190 607 D CA -0.031 54.069 54.000 0.167 0.000 0.867 607 D CB 0.263 41.130 40.800 0.113 0.000 1.050 607 D HN 0.244 nan 8.370 nan 0.000 0.491 608 L N 3.355 124.630 121.223 0.087 0.000 2.349 608 L HA -0.122 4.261 4.340 0.073 0.000 0.220 608 L C 2.192 179.073 176.870 0.018 0.000 1.130 608 L CA 0.729 55.587 54.840 0.030 0.000 0.791 608 L CB -0.180 41.876 42.059 -0.006 0.000 0.918 608 L HN 0.332 nan 8.230 nan 0.000 0.444 609 R N -0.448 120.052 120.500 0.000 0.000 2.148 609 R HA -0.070 4.314 4.340 0.073 0.000 0.223 609 R C 1.633 177.941 176.300 0.013 0.000 1.088 609 R CA 0.618 56.706 56.100 -0.021 0.000 0.985 609 R CB 0.059 30.343 30.300 -0.028 0.000 0.880 609 R HN 0.349 nan 8.270 nan 0.000 0.451 610 Q N 0.065 119.889 119.800 0.040 0.000 2.247 610 Q HA 0.197 4.581 4.340 0.073 0.000 0.204 610 Q C -0.018 176.015 176.000 0.055 0.000 0.872 610 Q CA 0.082 55.915 55.803 0.050 0.000 0.951 610 Q CB 1.046 29.821 28.738 0.062 0.000 1.099 610 Q HN 0.059 nan 8.270 nan 0.000 0.501 611 S N 1.981 117.718 115.700 0.060 0.000 2.558 611 S HA 0.059 4.572 4.470 0.073 0.000 0.291 611 S C 0.712 175.348 174.600 0.060 0.000 1.306 611 S CA -0.105 58.140 58.200 0.075 0.000 1.056 611 S CB 0.551 63.814 63.200 0.105 0.000 0.836 611 S HN 0.440 nan 8.310 nan 0.000 0.504 612 S N 1.926 117.665 115.700 0.065 0.000 2.608 612 S HA 0.141 4.655 4.470 0.073 0.000 0.261 612 S C 0.488 175.117 174.600 0.047 0.000 1.314 612 S CA -0.567 57.664 58.200 0.052 0.000 0.992 612 S CB 0.326 63.560 63.200 0.058 0.000 0.935 612 S HN 0.622 nan 8.310 nan 0.000 0.564 613 D N 1.141 121.558 120.400 0.028 0.000 2.144 613 D HA -0.002 4.682 4.640 0.073 0.000 0.200 613 D C 2.205 178.516 176.300 0.018 0.000 0.978 613 D CA 1.668 55.674 54.000 0.011 0.000 0.833 613 D CB -0.903 39.895 40.800 -0.004 0.000 0.961 613 D HN 0.681 nan 8.370 nan 0.000 0.470 614 A N 0.341 123.190 122.820 0.049 0.000 1.902 614 A HA -0.171 4.193 4.320 0.073 0.000 0.217 614 A C 2.371 180.049 177.584 0.157 0.000 1.181 614 A CA 2.056 54.147 52.037 0.089 0.000 0.623 614 A CB -0.937 18.144 19.000 0.134 0.000 0.818 614 A HN 0.200 nan 8.150 nan 0.000 0.443 615 T N -0.299 114.347 114.554 0.152 0.000 2.708 615 T HA -0.129 4.264 4.350 0.073 0.000 0.266 615 T C 2.105 176.922 174.700 0.194 0.000 1.037 615 T CA 1.353 63.561 62.100 0.181 0.000 1.146 615 T CB -0.237 68.714 68.868 0.139 0.000 0.865 615 T HN 0.354 nan 8.240 nan 0.000 0.435 616 R N 1.227 121.811 120.500 0.140 0.000 2.096 616 R HA -0.015 4.368 4.340 0.073 0.000 0.235 616 R C 2.286 178.628 176.300 0.071 0.000 1.127 616 R CA 0.914 57.091 56.100 0.129 0.000 0.968 616 R CB -0.428 29.880 30.300 0.014 0.000 0.861 616 R HN 0.489 nan 8.270 nan 0.000 0.440 617 E N -0.036 120.139 120.200 -0.041 0.000 2.204 617 E HA -0.118 4.275 4.350 0.073 0.000 0.194 617 E C 0.975 177.428 176.600 -0.245 0.000 0.989 617 E CA 0.866 57.151 56.400 -0.191 0.000 0.824 617 E CB -0.038 29.456 29.700 -0.342 0.000 0.756 617 E HN 0.502 nan 8.360 nan 0.000 0.477 618 H N -1.257 117.873 119.070 0.100 0.000 2.507 618 H HA 0.097 4.697 4.556 0.073 0.000 0.294 618 H C 1.171 176.565 175.328 0.109 0.000 1.064 618 H CA -0.383 55.715 56.048 0.084 0.000 1.138 618 H CB -0.380 29.411 29.762 0.050 0.000 1.515 618 H HN 0.114 nan 8.280 nan 0.000 0.547 619 F N 2.126 122.115 119.950 0.065 0.000 2.091 619 F HA -0.259 4.312 4.527 0.073 0.000 0.299 619 F C 2.352 178.181 175.800 0.048 0.000 1.103 619 F CA 1.567 59.594 58.000 0.044 0.000 1.228 619 F CB 0.378 39.382 39.000 0.007 0.000 0.984 619 F HN 0.122 nan 8.300 nan 0.000 0.477 620 Q N -0.213 119.726 119.800 0.231 0.000 2.079 620 Q HA -0.221 4.163 4.340 0.073 0.000 0.200 620 Q C 2.108 178.151 176.000 0.071 0.000 0.974 620 Q CA 1.521 57.404 55.803 0.134 0.000 0.840 620 Q CB -0.550 28.259 28.738 0.118 0.000 0.898 620 Q HN 0.467 nan 8.270 nan 0.000 0.430 621 Q N 0.420 120.276 119.800 0.093 0.000 2.084 621 Q HA -0.044 4.340 4.340 0.073 0.000 0.202 621 Q C 2.090 178.105 176.000 0.026 0.000 0.978 621 Q CA 1.048 56.893 55.803 0.069 0.000 0.844 621 Q CB -0.258 28.546 28.738 0.109 0.000 0.898 621 Q HN 0.380 nan 8.270 nan 0.000 0.426 622 I N -0.754 119.818 120.570 0.003 0.000 2.163 622 I HA -0.223 3.991 4.170 0.073 0.000 0.240 622 I C 1.885 177.978 176.117 -0.040 0.000 1.081 622 I CA 0.885 62.163 61.300 -0.038 0.000 1.353 622 I CB -0.262 37.684 38.000 -0.091 0.000 1.054 622 I HN 0.021 nan 8.210 nan 0.000 0.407 623 V N 0.711 120.560 119.914 -0.109 0.000 2.453 623 V HA -0.183 3.981 4.120 0.073 0.000 0.247 623 V C 2.007 178.152 176.094 0.085 0.000 1.048 623 V CA 1.520 63.798 62.300 -0.037 0.000 1.049 623 V CB -0.319 31.380 31.823 -0.206 0.000 0.672 623 V HN 0.383 nan 8.190 nan 0.000 0.457 624 L N -1.373 119.875 121.223 0.041 0.000 2.672 624 L HA 0.199 4.583 4.340 0.073 0.000 0.236 624 L C 1.717 178.602 176.870 0.025 0.000 1.092 624 L CA 0.389 55.257 54.840 0.046 0.000 0.887 624 L CB 0.144 42.225 42.059 0.036 0.000 1.168 624 L HN 0.263 nan 8.230 nan 0.000 0.502 625 Q N 0.052 119.863 119.800 0.020 0.000 2.179 625 Q HA 0.232 4.616 4.340 0.073 0.000 0.213 625 Q C 0.949 176.947 176.000 -0.002 0.000 0.833 625 Q CA 0.236 56.044 55.803 0.009 0.000 0.990 625 Q CB 1.208 29.955 28.738 0.015 0.000 1.132 625 Q HN 0.385 nan 8.270 nan 0.000 0.493 626 G N 1.426 110.225 108.800 -0.001 0.000 2.356 626 G HA2 -0.364 3.640 3.960 0.073 0.000 0.296 626 G HA3 -0.364 3.640 3.960 0.073 0.000 0.296 626 G C 0.823 175.714 174.900 -0.015 0.000 1.022 626 G CA 0.412 45.505 45.100 -0.011 0.000 0.961 626 G HN 0.484 nan 8.290 nan 0.000 0.510 627 A N -1.264 121.548 122.820 -0.014 0.000 2.019 627 A HA 0.258 4.622 4.320 0.073 0.000 0.219 627 A C 1.955 179.524 177.584 -0.025 0.000 1.164 627 A CA 1.747 53.768 52.037 -0.027 0.000 0.644 627 A CB -0.006 18.972 19.000 -0.037 0.000 0.805 627 A HN 0.850 nan 8.150 nan 0.000 0.449 628 L N -0.999 120.218 121.223 -0.010 0.000 2.910 628 L HA 0.263 4.646 4.340 0.073 0.000 0.252 628 L C 1.587 178.456 176.870 -0.003 0.000 1.195 628 L CA 0.448 55.287 54.840 -0.002 0.000 1.003 628 L CB -0.242 41.829 42.059 0.020 0.000 1.328 628 L HN 0.386 nan 8.230 nan 0.000 0.540 629 K N 1.385 121.775 120.400 -0.016 0.000 2.074 629 K HA -0.115 4.249 4.320 0.073 0.000 0.209 629 K C -0.624 175.950 176.600 -0.043 0.000 1.048 629 K CA 1.587 57.857 56.287 -0.028 0.000 0.926 629 K CB -0.424 32.053 32.500 -0.039 0.000 0.713 629 K HN 0.224 nan 8.250 nan 0.000 0.444 630 P HA -0.140 nan 4.420 nan 0.000 0.225 630 P C 0.824 178.077 177.300 -0.077 0.000 1.148 630 P CA 1.153 64.214 63.100 -0.065 0.000 0.779 630 P CB 0.046 31.712 31.700 -0.055 0.000 0.780 631 L N -1.932 119.262 121.223 -0.048 0.000 2.607 631 L HA 0.310 4.694 4.340 0.073 0.000 0.228 631 L C 1.651 178.505 176.870 -0.027 0.000 1.123 631 L CA 0.695 55.512 54.840 -0.038 0.000 0.890 631 L CB -0.550 41.509 42.059 0.001 0.000 1.103 631 L HN 0.103 nan 8.230 nan 0.000 0.468 632 G N 0.287 109.069 108.800 -0.030 0.000 2.195 632 G HA2 -0.287 3.717 3.960 0.073 0.000 0.224 632 G HA3 -0.287 3.717 3.960 0.073 0.000 0.224 632 G C 0.170 175.108 174.900 0.063 0.000 0.990 632 G CA 0.023 45.130 45.100 0.011 0.000 0.639 632 G HN 0.174 nan 8.290 nan 0.000 0.514 633 M N 2.919 122.558 119.600 0.064 0.000 2.193 633 M HA 0.576 5.100 4.480 0.073 0.000 0.342 633 M C -2.246 174.096 176.300 0.071 0.000 1.413 633 M CA -3.282 52.085 55.300 0.111 0.000 1.191 633 M CB 0.391 33.063 32.600 0.121 0.000 1.633 633 M HN -0.009 nan 8.290 nan 0.000 0.458 634 P HA 0.125 nan 4.420 nan 0.000 0.271 634 P C -1.109 176.103 177.300 -0.146 0.000 1.233 634 P CA -0.324 62.688 63.100 -0.146 0.000 0.789 634 P CB 0.633 32.105 31.700 -0.380 0.000 0.951 635 S N 0.583 116.146 115.700 -0.229 0.000 2.480 635 S HA 0.448 4.962 4.470 0.073 0.000 0.286 635 S C -0.438 173.999 174.600 -0.271 0.000 1.180 635 S CA -0.480 57.658 58.200 -0.104 0.000 1.075 635 S CB -0.472 62.687 63.200 -0.068 0.000 0.996 635 S HN 0.188 nan 8.310 nan 0.000 0.487 636 F N 2.854 122.769 119.950 -0.058 0.000 2.750 636 F HA 0.235 4.804 4.527 0.071 0.000 0.297 636 F C 1.688 177.425 175.800 -0.105 0.000 1.138 636 F CA -0.697 57.249 58.000 -0.089 0.000 1.346 636 F CB 0.291 39.199 39.000 -0.153 0.000 0.965 636 F HN 0.684 nan 8.300 nan 0.000 0.514 637 D N -0.198 120.223 120.400 0.036 0.000 2.350 637 D HA -0.190 4.494 4.640 0.073 0.000 0.216 637 D C 1.004 177.301 176.300 -0.006 0.000 0.968 637 D CA 1.105 55.111 54.000 0.010 0.000 0.894 637 D CB -0.254 40.546 40.800 -0.000 0.000 0.909 637 D HN 0.390 nan 8.370 nan 0.000 0.520 638 D N -0.119 120.273 120.400 -0.013 0.000 2.340 638 D HA -0.001 4.683 4.640 0.073 0.000 0.220 638 D C 0.982 177.287 176.300 0.008 0.000 1.039 638 D CA 0.093 54.088 54.000 -0.008 0.000 0.866 638 D CB 0.395 41.185 40.800 -0.017 0.000 0.913 638 D HN 0.112 nan 8.370 nan 0.000 0.523 639 S N -1.146 114.548 115.700 -0.010 0.000 2.648 639 S HA 0.287 4.801 4.470 0.073 0.000 0.270 639 S C 0.329 174.817 174.600 -0.187 0.000 1.082 639 S CA -0.428 57.740 58.200 -0.052 0.000 1.116 639 S CB 1.144 64.337 63.200 -0.012 0.000 1.040 639 S HN 0.094 nan 8.310 nan 0.000 0.572 640 L N 1.980 123.099 121.223 -0.172 0.000 2.381 640 L HA 0.564 4.948 4.340 0.073 0.000 0.268 640 L C -0.657 176.166 176.870 -0.078 0.000 0.997 640 L CA -0.750 53.978 54.840 -0.185 0.000 0.818 640 L CB 2.062 43.955 42.059 -0.277 0.000 1.310 640 L HN -0.125 nan 8.230 nan 0.000 0.416 641 K N 2.084 122.448 120.400 -0.059 0.000 2.095 641 K HA 0.338 4.702 4.320 0.073 0.000 0.252 641 K C -1.807 174.786 176.600 -0.012 0.000 0.977 641 K CA -1.620 54.651 56.287 -0.026 0.000 0.900 641 K CB 1.375 33.863 32.500 -0.020 0.000 1.060 641 K HN 0.173 nan 8.250 nan 0.000 0.449 642 P HA -0.291 nan 4.420 nan 0.000 0.216 642 P C 0.919 178.231 177.300 0.019 0.000 1.157 642 P CA 1.485 64.597 63.100 0.020 0.000 0.880 642 P CB 0.147 31.858 31.700 0.018 0.000 0.791 643 E N 0.356 120.559 120.200 0.006 0.000 2.153 643 E HA -0.231 4.163 4.350 0.073 0.000 0.194 643 E C 1.669 178.271 176.600 0.003 0.000 0.988 643 E CA 1.370 57.772 56.400 0.002 0.000 0.811 643 E CB -0.970 28.728 29.700 -0.003 0.000 0.746 643 E HN 0.397 nan 8.360 nan 0.000 0.466 644 E N 0.803 121.001 120.200 -0.003 0.000 2.107 644 E HA -0.075 4.319 4.350 0.073 0.000 0.191 644 E C 2.299 178.907 176.600 0.014 0.000 0.982 644 E CA 1.037 57.432 56.400 -0.008 0.000 0.809 644 E CB 0.104 29.780 29.700 -0.039 0.000 0.756 644 E HN 0.073 nan 8.360 nan 0.000 0.459 645 V N 1.328 121.261 119.914 0.032 0.000 2.515 645 V HA -0.225 3.939 4.120 0.073 0.000 0.250 645 V C 2.265 178.443 176.094 0.140 0.000 1.058 645 V CA 1.847 64.216 62.300 0.115 0.000 1.064 645 V CB -0.320 31.586 31.823 0.137 0.000 0.675 645 V HN 0.198 nan 8.190 nan 0.000 0.461 646 E N 0.324 120.559 120.200 0.059 0.000 2.106 646 E HA -0.225 4.169 4.350 0.073 0.000 0.192 646 E C 2.221 178.801 176.600 -0.033 0.000 0.984 646 E CA 1.431 57.825 56.400 -0.011 0.000 0.806 646 E CB -0.233 29.459 29.700 -0.014 0.000 0.750 646 E HN 0.642 nan 8.360 nan 0.000 0.458 647 Q N -0.337 119.464 119.800 0.002 0.000 2.124 647 Q HA -0.090 4.294 4.340 0.073 0.000 0.202 647 Q C 2.236 178.262 176.000 0.044 0.000 0.977 647 Q CA 1.431 57.239 55.803 0.009 0.000 0.850 647 Q CB -0.079 28.665 28.738 0.010 0.000 0.901 647 Q HN 0.404 nan 8.270 nan 0.000 0.429 648 I N 0.607 121.226 120.570 0.081 0.000 2.202 648 I HA -0.278 3.936 4.170 0.073 0.000 0.242 648 I C 2.481 178.649 176.117 0.085 0.000 1.091 648 I CA 1.062 62.468 61.300 0.178 0.000 1.368 648 I CB -0.263 37.895 38.000 0.263 0.000 1.058 648 I HN 0.148 nan 8.210 nan 0.000 0.410 649 K N 1.102 121.406 120.400 -0.160 0.000 2.063 649 K HA -0.242 4.122 4.320 0.073 0.000 0.208 649 K C 2.239 178.657 176.600 -0.303 0.000 1.048 649 K CA 1.480 57.414 56.287 -0.588 0.000 0.928 649 K CB -0.123 31.793 32.500 -0.973 0.000 0.713 649 K HN 0.108 nan 8.250 nan 0.000 0.442 650 L N 0.770 121.896 121.223 -0.162 0.000 2.012 650 L HA -0.204 4.179 4.340 0.073 0.000 0.210 650 L C 2.231 179.071 176.870 -0.050 0.000 1.073 650 L CA 1.786 56.566 54.840 -0.101 0.000 0.748 650 L CB -0.906 41.122 42.059 -0.052 0.000 0.891 650 L HN 0.300 nan 8.230 nan 0.000 0.431 651 Y N -0.676 119.554 120.300 -0.115 0.000 2.145 651 Y HA -0.223 4.371 4.550 0.072 0.000 0.286 651 Y C 2.303 178.114 175.900 -0.149 0.000 1.145 651 Y CA 2.105 60.140 58.100 -0.109 0.000 1.148 651 Y CB -0.783 37.627 38.460 -0.083 0.000 0.981 651 Y HN 0.017 nan 8.280 nan 0.000 0.507 652 V N 0.941 120.659 119.914 -0.326 0.000 2.255 652 V HA -0.405 3.759 4.120 0.073 0.000 0.247 652 V C 2.482 178.385 176.094 -0.318 0.000 1.051 652 V CA 2.556 64.605 62.300 -0.420 0.000 1.018 652 V CB -0.712 30.986 31.823 -0.209 0.000 0.641 652 V HN 0.496 nan 8.190 nan 0.000 0.445 653 M N -0.408 119.053 119.600 -0.232 0.000 2.213 653 M HA -0.164 4.360 4.480 0.073 0.000 0.263 653 M C 2.472 178.699 176.300 -0.122 0.000 1.062 653 M CA 1.965 57.169 55.300 -0.160 0.000 1.105 653 M CB -0.570 31.936 32.600 -0.156 0.000 1.385 653 M HN 0.436 nan 8.290 nan 0.000 0.417 654 S N 0.359 115.964 115.700 -0.158 0.000 2.368 654 S HA -0.109 4.405 4.470 0.073 0.000 0.225 654 S C 2.064 176.605 174.600 -0.098 0.000 1.030 654 S CA 1.076 59.214 58.200 -0.104 0.000 0.999 654 S CB -0.055 63.090 63.200 -0.090 0.000 0.844 654 S HN 0.355 nan 8.310 nan 0.000 0.459 655 R N 1.045 121.386 120.500 -0.265 0.000 2.092 655 R HA 0.030 4.414 4.340 0.073 0.000 0.231 655 R C 2.397 178.633 176.300 -0.107 0.000 1.119 655 R CA 1.334 57.288 56.100 -0.244 0.000 0.970 655 R CB -1.009 29.015 30.300 -0.460 0.000 0.864 655 R HN 0.702 nan 8.270 nan 0.000 0.440 656 E N -0.114 120.031 120.200 -0.092 0.000 2.051 656 E HA -0.236 4.158 4.350 0.073 0.000 0.192 656 E C 1.792 178.433 176.600 0.067 0.000 0.991 656 E CA 1.184 57.576 56.400 -0.014 0.000 0.799 656 E CB -0.189 29.495 29.700 -0.027 0.000 0.748 656 E HN 0.312 nan 8.360 nan 0.000 0.449 657 Y N 1.519 121.795 120.300 -0.041 0.000 2.200 657 Y HA -0.179 4.414 4.550 0.073 0.000 0.290 657 Y C 2.288 178.221 175.900 0.055 0.000 1.137 657 Y CA 2.182 60.284 58.100 0.004 0.000 1.163 657 Y CB -0.185 38.249 38.460 -0.043 0.000 0.988 657 Y HN 0.136 nan 8.280 nan 0.000 0.518 658 E N -0.094 120.205 120.200 0.166 0.000 2.070 658 E HA -0.267 4.127 4.350 0.073 0.000 0.197 658 E C 1.419 178.021 176.600 0.002 0.000 1.004 658 E CA 1.947 58.397 56.400 0.084 0.000 0.805 658 E CB -0.175 29.555 29.700 0.050 0.000 0.744 658 E HN 0.515 nan 8.360 nan 0.000 0.451 659 D N -0.637 119.764 120.400 0.001 0.000 2.162 659 D HA -0.126 4.558 4.640 0.073 0.000 0.203 659 D C 1.630 177.922 176.300 -0.013 0.000 0.967 659 D CA 0.726 54.718 54.000 -0.014 0.000 0.840 659 D CB -0.468 40.325 40.800 -0.012 0.000 0.972 659 D HN 0.315 nan 8.370 nan 0.000 0.482 660 Y N 0.909 121.147 120.300 -0.103 0.000 2.224 660 Y HA -0.169 4.424 4.550 0.072 0.000 0.289 660 Y C 2.058 177.922 175.900 -0.059 0.000 1.146 660 Y CA 1.299 59.359 58.100 -0.068 0.000 1.182 660 Y CB -0.024 38.375 38.460 -0.102 0.000 0.983 660 Y HN -0.176 nan 8.280 nan 0.000 0.524 661 M N -0.243 119.320 119.600 -0.062 0.000 2.319 661 M HA -0.074 4.449 4.480 0.073 0.000 0.265 661 M C 2.404 178.639 176.300 -0.107 0.000 1.068 661 M CA 1.185 56.417 55.300 -0.113 0.000 1.118 661 M CB -1.603 30.876 32.600 -0.201 0.000 1.395 661 M HN 0.464 nan 8.290 nan 0.000 0.435 662 A N 0.708 123.461 122.820 -0.112 0.000 1.859 662 A HA -0.163 4.201 4.320 0.073 0.000 0.217 662 A C 1.531 179.010 177.584 -0.176 0.000 1.198 662 A CA 1.370 53.340 52.037 -0.111 0.000 0.629 662 A CB -0.445 18.497 19.000 -0.096 0.000 0.830 662 A HN 0.368 nan 8.150 nan 0.000 0.446 663 R N -1.813 118.504 120.500 -0.305 0.000 2.652 663 R HA 0.444 4.828 4.340 0.073 0.000 0.271 663 R C 0.368 176.360 176.300 -0.513 0.000 1.129 663 R CA 0.026 55.819 56.100 -0.511 0.000 1.200 663 R CB 0.060 29.866 30.300 -0.823 0.000 1.146 663 R HN 0.639 nan 8.270 nan 0.000 0.581 664 H N 0.000 118.944 119.070 -0.210 0.000 2.539 664 H HA 0.000 4.600 4.556 0.073 0.000 0.296 664 H CA 0.000 55.942 56.048 -0.177 0.000 1.023 664 H CB 0.000 29.608 29.762 -0.257 0.000 1.292 664 H HN 0.000 nan 8.280 nan 0.000 0.496