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 2gge_1_C DATA FIRST_RESID 2 DATA SEQUENCE ALVKIVRIET FPLFHRLEKP YGDANGFKRY RTCYLIRIIT ESGIDGWGEC DATA SEQUENCE VDWLPALHVG FTKRIIPFLL GKQAGSRLSL VRTIQKWHQR AASAVSMALT DATA SEQUENCE EIAAKAADCS VCELWGGRYR EEIPVYASFQ SYSDSPQWIS RSVSNVEAQL DATA SEQUENCE KKGFEQIKVK IGGTSFKEDV RHINALQHTA GSSITMILDA NQSYDAAAAF DATA SEQUENCE KWERYFSEWT NIGWLEEPLP FDQPQDYAML RSRLSVPVAG GENMKGPAQY DATA SEQUENCE VPLLSQRCLD IIQPDVMHVN GIDEFRDCLQ LARYFGVRAS AHAYDGSLSR DATA SEQUENCE LYALFAQACL PPWSKMKNDH IEPIEWDVME NPFTDLVSLQ PSKGMVHIPK DATA SEQUENCE GKGIGTEINM EIVNRYKWDG SAYE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 3 L N 2.673 123.894 121.223 -0.004 0.000 3.909 3 L HA 0.515 4.856 4.340 0.002 0.000 0.209 3 L C 1.346 178.213 176.870 -0.004 0.000 1.206 3 L CA 1.625 56.463 54.840 -0.002 0.000 1.361 3 L CB 0.548 42.607 42.059 -0.000 0.000 1.798 3 L HN 1.140 nan 8.230 nan 0.000 0.767 4 V N -1.892 118.019 119.914 -0.005 0.000 3.319 4 V HA 0.354 4.475 4.120 0.002 0.000 0.317 4 V C 0.731 176.817 176.094 -0.013 0.000 1.411 4 V CA -0.413 61.883 62.300 -0.006 0.000 1.112 4 V CB -0.373 31.449 31.823 -0.000 0.000 1.031 4 V HN 0.406 nan 8.190 nan 0.000 0.448 5 K N 1.654 122.044 120.400 -0.017 0.000 2.511 5 K HA 0.171 4.492 4.320 0.002 0.000 0.280 5 K C -0.192 176.391 176.600 -0.028 0.000 1.008 5 K CA 0.010 56.282 56.287 -0.025 0.000 1.050 5 K CB 0.298 32.785 32.500 -0.023 0.000 0.889 5 K HN 0.537 nan 8.250 nan 0.000 0.484 6 I N 6.198 126.746 120.570 -0.037 0.000 2.396 6 I HA -0.038 4.133 4.170 0.002 0.000 0.289 6 I C 1.205 177.301 176.117 -0.035 0.000 1.056 6 I CA -0.322 60.956 61.300 -0.037 0.000 1.365 6 I CB 1.136 39.110 38.000 -0.044 0.000 1.407 6 I HN 0.592 nan 8.210 nan 0.000 0.509 7 V N 2.904 122.800 119.914 -0.030 0.000 3.455 7 V HA 0.355 4.476 4.120 0.002 0.000 0.250 7 V C 0.704 176.783 176.094 -0.026 0.000 1.230 7 V CA 0.021 62.306 62.300 -0.026 0.000 1.105 7 V CB 0.084 31.895 31.823 -0.021 0.000 0.850 7 V HN 0.769 nan 8.190 nan 0.000 0.461 8 R N 0.090 120.570 120.500 -0.033 0.000 2.574 8 R HA 0.760 5.101 4.340 0.002 0.000 0.288 8 R C -1.892 174.377 176.300 -0.052 0.000 1.004 8 R CA -0.679 55.398 56.100 -0.038 0.000 0.895 8 R CB 2.151 32.428 30.300 -0.040 0.000 1.191 8 R HN 0.418 nan 8.270 nan 0.000 0.444 9 I N 2.892 123.433 120.570 -0.048 0.000 2.436 9 I HA 0.323 4.495 4.170 0.002 0.000 0.289 9 I C -0.346 175.704 176.117 -0.111 0.000 1.010 9 I CA -0.625 60.633 61.300 -0.070 0.000 1.098 9 I CB 2.136 40.128 38.000 -0.014 0.000 1.266 9 I HN 0.458 nan 8.210 nan 0.000 0.434 10 E N 4.298 124.392 120.200 -0.175 0.000 2.204 10 E HA 0.557 4.908 4.350 0.002 0.000 0.276 10 E C -0.642 175.697 176.600 -0.434 0.000 0.974 10 E CA -0.638 55.585 56.400 -0.295 0.000 0.815 10 E CB 2.289 31.864 29.700 -0.208 0.000 1.119 10 E HN 0.657 nan 8.360 nan 0.000 0.393 11 T N -1.151 113.001 114.554 -0.671 0.000 2.916 11 T HA 0.645 4.996 4.350 0.002 0.000 0.292 11 T C -0.675 173.389 174.700 -1.059 0.000 1.055 11 T CA -0.786 60.907 62.100 -0.678 0.000 1.009 11 T CB 0.633 69.260 68.868 -0.401 0.000 1.118 11 T HN 0.311 nan 8.240 nan 0.000 0.497 12 F N 1.671 121.363 119.950 -0.431 0.000 2.872 12 F HA 0.371 4.899 4.527 0.002 0.000 0.365 12 F C -2.568 172.951 175.800 -0.470 0.000 1.296 12 F CA -2.200 55.633 58.000 -0.279 0.000 1.199 12 F CB 1.586 40.546 39.000 -0.067 0.000 1.687 12 F HN 0.330 nan 8.300 nan 0.000 0.604 13 P HA 0.178 nan 4.420 nan 0.000 0.271 13 P C -0.579 176.799 177.300 0.129 0.000 1.233 13 P CA 0.367 63.391 63.100 -0.127 0.000 0.764 13 P CB 1.168 32.965 31.700 0.162 0.000 0.825 14 L N 4.192 125.441 121.223 0.044 0.000 2.333 14 L HA 0.662 5.003 4.340 0.002 0.000 0.269 14 L C -0.184 176.879 176.870 0.321 0.000 1.010 14 L CA -0.974 53.976 54.840 0.184 0.000 0.818 14 L CB 1.749 43.767 42.059 -0.069 0.000 1.306 14 L HN 0.282 nan 8.230 nan 0.000 0.430 15 F N 1.014 121.281 119.950 0.528 0.000 2.596 15 F HA 0.497 5.025 4.527 0.002 0.000 0.311 15 F C -1.096 175.092 175.800 0.647 0.000 1.116 15 F CA -0.463 57.840 58.000 0.505 0.000 0.957 15 F CB 1.734 40.968 39.000 0.390 0.000 1.250 15 F HN 0.546 nan 8.300 nan 0.000 0.444 16 H N 4.847 123.790 119.070 -0.212 0.000 3.018 16 H HA 0.355 4.912 4.556 0.002 0.000 0.334 16 H C -1.220 173.951 175.328 -0.262 0.000 0.983 16 H CA -0.774 55.235 56.048 -0.066 0.000 1.363 16 H CB 1.094 30.665 29.762 -0.317 0.000 1.668 16 H HN 0.776 nan 8.280 nan 0.000 0.513 17 R N 5.491 125.873 120.500 -0.196 0.000 2.442 17 R HA 0.217 4.559 4.340 0.002 0.000 0.291 17 R C -0.732 175.274 176.300 -0.490 0.000 1.069 17 R CA -0.399 55.649 56.100 -0.086 0.000 1.022 17 R CB 0.371 30.856 30.300 0.308 0.000 0.976 17 R HN 0.670 nan 8.270 nan 0.000 0.443 18 L N 4.360 125.403 121.223 -0.301 0.000 2.397 18 L HA 0.092 4.433 4.340 0.002 0.000 0.271 18 L C 1.487 178.288 176.870 -0.116 0.000 1.148 18 L CA -0.031 54.656 54.840 -0.255 0.000 0.825 18 L CB 1.164 43.074 42.059 -0.249 0.000 1.117 18 L HN 0.750 nan 8.230 nan 0.000 0.456 19 E N 1.631 121.809 120.200 -0.037 0.000 2.028 19 E HA -0.062 4.289 4.350 0.002 0.000 0.190 19 E C -0.204 176.401 176.600 0.007 0.000 0.984 19 E CA 1.181 57.590 56.400 0.015 0.000 0.800 19 E CB 0.197 29.933 29.700 0.061 0.000 0.758 19 E HN 0.463 nan 8.360 nan 0.000 0.448 20 K N 1.834 122.245 120.400 0.019 0.000 2.274 20 K HA 0.314 4.635 4.320 0.002 0.000 0.262 20 K C -2.543 174.020 176.600 -0.063 0.000 0.961 20 K CA -2.099 54.191 56.287 0.004 0.000 0.833 20 K CB 1.628 34.166 32.500 0.064 0.000 1.102 20 K HN -0.058 nan 8.250 nan 0.000 0.436 21 P HA 0.094 nan 4.420 nan 0.000 0.274 21 P C -1.308 175.927 177.300 -0.108 0.000 1.246 21 P CA -0.199 62.740 63.100 -0.268 0.000 0.795 21 P CB 0.280 31.810 31.700 -0.282 0.000 1.006 22 Y N -2.491 117.886 120.300 0.128 0.000 2.588 22 Y HA 0.841 5.392 4.550 0.002 0.000 0.343 22 Y C -0.116 175.999 175.900 0.358 0.000 1.065 22 Y CA -1.309 56.937 58.100 0.244 0.000 1.038 22 Y CB 1.145 39.715 38.460 0.184 0.000 1.297 22 Y HN 0.631 nan 8.280 nan 0.000 0.467 23 G N 0.139 109.302 108.800 0.604 0.000 2.766 23 G HA2 0.601 4.563 3.960 0.002 0.000 0.288 23 G HA3 0.601 4.563 3.960 0.002 0.000 0.288 23 G C -1.992 173.035 174.900 0.212 0.000 1.408 23 G CA -0.689 44.596 45.100 0.308 0.000 0.852 23 G HN 0.842 nan 8.290 nan 0.000 0.487 24 D N -2.139 118.311 120.400 0.084 0.000 2.758 24 D HA 0.575 5.217 4.640 0.002 0.000 0.262 24 D C 1.399 177.711 176.300 0.020 0.000 1.113 24 D CA 0.138 54.224 54.000 0.144 0.000 1.114 24 D CB 0.763 41.576 40.800 0.021 0.000 1.363 24 D HN 0.644 nan 8.370 nan 0.000 0.617 25 A N -0.567 122.268 122.820 0.023 0.000 2.076 25 A HA -0.175 4.146 4.320 0.002 0.000 0.220 25 A C 1.465 178.954 177.584 -0.158 0.000 1.160 25 A CA 1.222 53.192 52.037 -0.113 0.000 0.653 25 A CB -0.922 18.028 19.000 -0.082 0.000 0.801 25 A HN 0.502 nan 8.150 nan 0.000 0.455 26 N N -0.299 118.324 118.700 -0.127 0.000 2.515 26 N HA 0.218 4.959 4.740 0.002 0.000 0.185 26 N C 0.903 176.313 175.510 -0.168 0.000 1.109 26 N CA 1.126 54.101 53.050 -0.126 0.000 0.903 26 N CB 0.210 38.641 38.487 -0.092 0.000 0.969 26 N HN 0.666 nan 8.380 nan 0.000 0.450 27 G N 0.055 108.702 108.800 -0.254 0.000 2.353 27 G HA2 -0.083 3.879 3.960 0.002 0.000 0.615 27 G HA3 -0.083 3.879 3.960 0.002 0.000 0.615 27 G C -1.492 173.236 174.900 -0.287 0.000 1.280 27 G CA -0.987 43.912 45.100 -0.335 0.000 1.000 27 G HN -0.016 nan 8.290 nan 0.000 0.516 28 F N 1.091 120.997 119.950 -0.073 0.000 2.396 28 F HA 0.611 5.140 4.527 0.002 0.000 0.343 28 F C 1.076 176.795 175.800 -0.135 0.000 1.104 28 F CA -0.304 57.653 58.000 -0.073 0.000 1.161 28 F CB 1.716 40.676 39.000 -0.067 0.000 1.146 28 F HN 0.335 nan 8.300 nan 0.000 0.522 29 K N 3.224 123.646 120.400 0.036 0.000 2.201 29 K HA 0.357 4.678 4.320 0.002 0.000 0.278 29 K C 0.757 177.152 176.600 -0.341 0.000 1.027 29 K CA -0.574 55.600 56.287 -0.189 0.000 0.909 29 K CB 1.241 33.681 32.500 -0.101 0.000 1.062 29 K HN 0.422 nan 8.250 nan 0.000 0.465 30 R N 1.612 121.836 120.500 -0.460 0.000 2.254 30 R HA 0.106 4.447 4.340 0.002 0.000 0.193 30 R C -0.038 176.061 176.300 -0.334 0.000 0.929 30 R CA 0.532 56.410 56.100 -0.370 0.000 1.038 30 R CB 0.203 30.290 30.300 -0.354 0.000 1.009 30 R HN 0.727 nan 8.270 nan 0.000 0.512 31 Y N -2.203 117.889 120.300 -0.346 0.000 2.689 31 Y HA 0.674 5.225 4.550 0.002 0.000 0.333 31 Y C -0.867 174.883 175.900 -0.251 0.000 1.208 31 Y CA -1.621 56.242 58.100 -0.395 0.000 1.055 31 Y CB 0.901 39.000 38.460 -0.603 0.000 1.304 31 Y HN -0.397 nan 8.280 nan 0.000 0.455 32 R N 0.942 121.480 120.500 0.062 0.000 2.803 32 R HA 0.748 5.089 4.340 0.002 0.000 0.276 32 R C -0.895 175.551 176.300 0.243 0.000 0.978 32 R CA -0.526 55.678 56.100 0.174 0.000 0.939 32 R CB 1.798 32.203 30.300 0.174 0.000 1.179 32 R HN 1.040 nan 8.270 nan 0.000 0.472 33 T N -3.009 111.680 114.554 0.224 0.000 2.864 33 T HA 0.684 5.035 4.350 0.002 0.000 0.289 33 T C -0.481 174.085 174.700 -0.224 0.000 1.082 33 T CA -0.755 61.381 62.100 0.061 0.000 1.009 33 T CB 1.863 70.760 68.868 0.048 0.000 1.234 33 T HN 0.712 nan 8.240 nan 0.000 0.526 34 C N 0.645 119.684 119.300 -0.435 0.000 3.239 34 C HA 0.789 5.251 4.460 0.002 0.000 0.329 34 C C -2.355 172.525 174.990 -0.183 0.000 1.252 34 C CA -0.746 57.996 59.018 -0.460 0.000 1.323 34 C CB 0.604 27.687 27.740 -1.095 0.000 1.663 34 C HN 1.078 nan 8.230 nan 0.000 0.487 35 Y N 4.611 124.809 120.300 -0.171 0.000 2.301 35 Y HA 0.646 5.198 4.550 0.002 0.000 0.325 35 Y C -1.109 174.778 175.900 -0.022 0.000 1.103 35 Y CA -0.626 57.429 58.100 -0.074 0.000 1.182 35 Y CB 0.848 39.283 38.460 -0.042 0.000 1.139 35 Y HN 0.754 nan 8.280 nan 0.000 0.443 36 L N 7.340 128.485 121.223 -0.129 0.000 2.322 36 L HA 0.630 4.971 4.340 0.002 0.000 0.279 36 L C -0.213 176.722 176.870 0.109 0.000 1.036 36 L CA -1.103 53.808 54.840 0.119 0.000 0.807 36 L CB 1.679 43.897 42.059 0.266 0.000 1.226 36 L HN 0.636 nan 8.230 nan 0.000 0.433 37 I N 0.250 120.914 120.570 0.157 0.000 2.693 37 I HA 0.643 4.814 4.170 0.002 0.000 0.303 37 I C -0.684 175.397 176.117 -0.059 0.000 1.025 37 I CA -0.817 60.487 61.300 0.007 0.000 1.086 37 I CB 2.254 40.183 38.000 -0.117 0.000 1.268 37 I HN 0.626 nan 8.210 nan 0.000 0.440 38 R N 5.888 126.204 120.500 -0.307 0.000 2.483 38 R HA 0.614 4.955 4.340 0.002 0.000 0.303 38 R C -1.802 174.293 176.300 -0.343 0.000 0.987 38 R CA -0.617 55.083 56.100 -0.667 0.000 0.881 38 R CB 1.680 31.264 30.300 -1.194 0.000 1.177 38 R HN 0.795 nan 8.270 nan 0.000 0.451 39 I N 6.274 126.690 120.570 -0.256 0.000 2.354 39 I HA 0.351 4.522 4.170 0.002 0.000 0.292 39 I C -0.420 175.618 176.117 -0.132 0.000 0.989 39 I CA -0.925 60.297 61.300 -0.131 0.000 1.188 39 I CB 1.729 39.695 38.000 -0.056 0.000 1.342 39 I HN 0.470 nan 8.210 nan 0.000 0.457 40 I N 5.225 125.735 120.570 -0.099 0.000 2.433 40 I HA 0.336 4.507 4.170 0.002 0.000 0.292 40 I C 0.524 176.613 176.117 -0.046 0.000 1.001 40 I CA -0.262 60.992 61.300 -0.076 0.000 1.119 40 I CB 2.068 40.023 38.000 -0.074 0.000 1.289 40 I HN 0.557 nan 8.210 nan 0.000 0.438 41 T N 0.124 114.659 114.554 -0.032 0.000 2.936 41 T HA 0.389 4.741 4.350 0.002 0.000 0.282 41 T C 0.903 175.593 174.700 -0.017 0.000 1.003 41 T CA -0.673 61.413 62.100 -0.022 0.000 1.005 41 T CB 1.442 70.301 68.868 -0.015 0.000 1.097 41 T HN 0.629 nan 8.240 nan 0.000 0.532 42 E N 0.762 120.953 120.200 -0.015 0.000 2.086 42 E HA -0.250 4.101 4.350 0.002 0.000 0.205 42 E C 2.291 178.887 176.600 -0.007 0.000 1.027 42 E CA 2.096 58.490 56.400 -0.011 0.000 0.830 42 E CB -0.403 29.291 29.700 -0.010 0.000 0.751 42 E HN 0.860 nan 8.360 nan 0.000 0.456 43 S N -0.790 114.906 115.700 -0.006 0.000 2.493 43 S HA -0.057 4.415 4.470 0.002 0.000 0.243 43 S C 1.676 176.275 174.600 -0.001 0.000 0.991 43 S CA 1.046 59.245 58.200 -0.003 0.000 0.957 43 S CB -0.037 63.163 63.200 -0.001 0.000 0.756 43 S HN 0.514 nan 8.310 nan 0.000 0.521 44 G N 0.845 109.643 108.800 -0.004 0.000 2.199 44 G HA2 -0.255 3.706 3.960 0.002 0.000 0.254 44 G HA3 -0.255 3.706 3.960 0.002 0.000 0.254 44 G C 0.093 174.993 174.900 -0.000 0.000 0.982 44 G CA 0.088 45.186 45.100 -0.003 0.000 0.632 44 G HN 0.624 nan 8.290 nan 0.000 0.529 45 I N 2.639 123.210 120.570 0.001 0.000 2.683 45 I HA 0.320 4.491 4.170 0.002 0.000 0.286 45 I C 0.359 176.472 176.117 -0.006 0.000 1.175 45 I CA 0.394 61.697 61.300 0.006 0.000 1.429 45 I CB 0.380 38.385 38.000 0.008 0.000 1.371 45 I HN 0.380 nan 8.210 nan 0.000 0.569 46 D N 4.613 125.011 120.400 -0.003 0.000 2.531 46 D HA 0.762 5.403 4.640 0.002 0.000 0.244 46 D C -0.505 175.784 176.300 -0.018 0.000 1.090 46 D CA -0.713 53.258 54.000 -0.049 0.000 0.989 46 D CB 1.912 42.646 40.800 -0.111 0.000 1.433 46 D HN 0.584 nan 8.370 nan 0.000 0.492 47 G N -1.190 107.564 108.800 -0.077 0.000 2.706 47 G HA2 0.509 4.470 3.960 0.002 0.000 0.297 47 G HA3 0.509 4.470 3.960 0.002 0.000 0.297 47 G C -1.991 172.892 174.900 -0.028 0.000 1.403 47 G CA -1.075 44.050 45.100 0.041 0.000 0.954 47 G HN 0.300 nan 8.290 nan 0.000 0.500 48 W N 0.339 121.696 121.300 0.095 0.000 2.551 48 W HA 0.676 5.337 4.660 0.002 0.000 0.330 48 W C 0.517 177.091 176.519 0.092 0.000 1.063 48 W CA -0.132 57.265 57.345 0.086 0.000 1.222 48 W CB 2.636 32.138 29.460 0.068 0.000 1.349 48 W HN 0.796 nan 8.180 nan 0.000 0.536 49 G N 0.843 109.820 108.800 0.294 0.000 2.730 49 G HA2 0.672 4.633 3.960 0.002 0.000 0.289 49 G HA3 0.672 4.633 3.960 0.002 0.000 0.289 49 G C -1.864 173.151 174.900 0.191 0.000 1.341 49 G CA -0.699 44.510 45.100 0.182 0.000 0.932 49 G HN 0.408 nan 8.290 nan 0.000 0.481 50 E N -1.832 118.447 120.200 0.132 0.000 2.343 50 E HA 0.559 4.910 4.350 0.002 0.000 0.278 50 E C -0.740 175.932 176.600 0.121 0.000 0.910 50 E CA -0.897 55.574 56.400 0.119 0.000 0.757 50 E CB 1.999 31.735 29.700 0.059 0.000 1.218 50 E HN 0.928 nan 8.360 nan 0.000 0.435 51 C N 0.700 120.098 119.300 0.163 0.000 3.323 51 C HA 0.920 5.381 4.460 0.002 0.000 0.324 51 C C -1.263 173.813 174.990 0.142 0.000 1.428 51 C CA -0.727 58.382 59.018 0.152 0.000 1.368 51 C CB 1.007 28.859 27.740 0.187 0.000 1.731 51 C HN 0.526 nan 8.230 nan 0.000 0.455 52 V N 1.809 121.803 119.914 0.133 0.000 2.711 52 V HA 0.764 4.885 4.120 0.002 0.000 0.304 52 V C -1.500 174.675 176.094 0.135 0.000 1.097 52 V CA 0.481 62.859 62.300 0.129 0.000 0.906 52 V CB 1.599 33.502 31.823 0.134 0.000 1.015 52 V HN 1.146 nan 8.190 nan 0.000 0.427 53 D N 3.081 123.554 120.400 0.121 0.000 2.779 53 D HA 0.165 4.806 4.640 0.002 0.000 0.331 53 D C -1.555 174.861 176.300 0.193 0.000 1.331 53 D CA -0.480 53.613 54.000 0.156 0.000 0.866 53 D CB 1.413 42.306 40.800 0.155 0.000 1.409 53 D HN 0.447 nan 8.370 nan 0.000 0.486 54 W N 2.827 124.149 121.300 0.038 0.000 2.505 54 W HA 0.120 4.781 4.660 0.002 0.000 0.332 54 W C 1.032 177.528 176.519 -0.038 0.000 1.434 54 W CA 0.203 57.566 57.345 0.030 0.000 1.320 54 W CB -0.104 29.387 29.460 0.051 0.000 1.363 54 W HN 0.359 nan 8.180 nan 0.000 0.565 55 L N 8.260 129.156 121.223 -0.545 0.000 1.989 55 L HA -0.196 4.146 4.340 0.002 0.000 0.211 55 L C -0.179 176.263 176.870 -0.714 0.000 1.071 55 L CA 1.361 55.778 54.840 -0.704 0.000 0.749 55 L CB -1.880 39.437 42.059 -1.236 0.000 0.890 55 L HN 0.336 nan 8.230 nan 0.000 0.431 56 P HA -0.204 nan 4.420 nan 0.000 0.215 56 P C 1.442 178.576 177.300 -0.276 0.000 1.157 56 P CA 2.015 64.814 63.100 -0.502 0.000 0.874 56 P CB -0.054 31.177 31.700 -0.782 0.000 0.790 57 A N -0.755 121.852 122.820 -0.356 0.000 1.877 57 A HA -0.176 4.145 4.320 0.002 0.000 0.216 57 A C 2.187 179.807 177.584 0.061 0.000 1.186 57 A CA 1.489 53.544 52.037 0.030 0.000 0.620 57 A CB -1.708 17.480 19.000 0.313 0.000 0.822 57 A HN 0.131 nan 8.150 nan 0.000 0.443 58 L N -0.401 120.834 121.223 0.020 0.000 2.012 58 L HA -0.233 4.108 4.340 0.002 0.000 0.210 58 L C 2.406 179.294 176.870 0.030 0.000 1.073 58 L CA 2.690 57.537 54.840 0.012 0.000 0.748 58 L CB -0.952 40.985 42.059 -0.203 0.000 0.891 58 L HN 0.658 nan 8.230 nan 0.000 0.431 59 H N -1.585 117.464 119.070 -0.034 0.000 2.319 59 H HA -0.159 4.399 4.556 0.002 0.000 0.299 59 H C 2.277 177.730 175.328 0.208 0.000 1.092 59 H CA 2.214 58.379 56.048 0.195 0.000 1.302 59 H CB 0.090 30.047 29.762 0.325 0.000 1.373 59 H HN 0.312 nan 8.280 nan 0.000 0.497 60 V N 0.718 120.687 119.914 0.090 0.000 2.453 60 V HA -0.117 4.005 4.120 0.002 0.000 0.247 60 V C 2.685 178.799 176.094 0.032 0.000 1.048 60 V CA 1.771 64.086 62.300 0.026 0.000 1.049 60 V CB -0.947 30.913 31.823 0.062 0.000 0.672 60 V HN 0.659 nan 8.190 nan 0.000 0.457 61 G N -0.483 108.361 108.800 0.074 0.000 2.574 61 G HA2 -0.352 3.609 3.960 0.002 0.000 0.220 61 G HA3 -0.352 3.609 3.960 0.002 0.000 0.220 61 G C 1.461 176.346 174.900 -0.025 0.000 1.173 61 G CA 1.644 46.792 45.100 0.081 0.000 0.772 61 G HN 0.520 nan 8.290 nan 0.000 0.585 62 F N 1.554 121.490 119.950 -0.024 0.000 2.098 62 F HA -0.030 4.499 4.527 0.003 0.000 0.294 62 F C 3.308 179.095 175.800 -0.021 0.000 1.107 62 F CA 2.031 60.022 58.000 -0.014 0.000 1.234 62 F CB -0.790 38.221 39.000 0.019 0.000 1.002 62 F HN 0.257 nan 8.300 nan 0.000 0.472 63 T N -2.268 112.346 114.554 0.098 0.000 2.821 63 T HA -0.117 4.234 4.350 0.002 0.000 0.267 63 T C 1.775 176.489 174.700 0.023 0.000 1.046 63 T CA 0.999 63.103 62.100 0.007 0.000 1.139 63 T CB -0.154 68.630 68.868 -0.140 0.000 0.871 63 T HN 0.025 nan 8.240 nan 0.000 0.454 64 K N 0.183 120.589 120.400 0.010 0.000 2.352 64 K HA 0.320 4.642 4.320 0.002 0.000 0.194 64 K C 2.206 178.798 176.600 -0.014 0.000 1.038 64 K CA 0.221 56.506 56.287 -0.003 0.000 1.023 64 K CB 0.365 32.856 32.500 -0.015 0.000 0.840 64 K HN 0.353 nan 8.250 nan 0.000 0.519 65 R N -0.541 119.957 120.500 -0.004 0.000 2.306 65 R HA 0.304 4.645 4.340 0.002 0.000 0.183 65 R C 2.194 178.567 176.300 0.123 0.000 0.937 65 R CA 0.076 56.157 56.100 -0.032 0.000 1.118 65 R CB 0.160 30.360 30.300 -0.168 0.000 1.224 65 R HN -0.066 nan 8.270 nan 0.000 0.597 66 I N 1.041 121.693 120.570 0.137 0.000 2.233 66 I HA -0.199 3.973 4.170 0.002 0.000 0.243 66 I C 2.185 178.482 176.117 0.300 0.000 1.093 66 I CA 1.243 62.681 61.300 0.230 0.000 1.380 66 I CB -0.039 37.885 38.000 -0.127 0.000 1.067 66 I HN 0.092 nan 8.210 nan 0.000 0.413 67 I N 0.877 121.601 120.570 0.256 0.000 2.127 67 I HA -0.206 3.966 4.170 0.002 0.000 0.241 67 I C -0.406 175.804 176.117 0.155 0.000 1.075 67 I CA 1.572 62.997 61.300 0.209 0.000 1.334 67 I CB -1.690 36.410 38.000 0.167 0.000 1.040 67 I HN 0.172 nan 8.210 nan 0.000 0.405 68 P HA -0.264 nan 4.420 nan 0.000 0.216 68 P C 1.794 179.183 177.300 0.149 0.000 1.153 68 P CA 1.790 64.956 63.100 0.110 0.000 0.858 68 P CB -0.335 31.418 31.700 0.088 0.000 0.789 69 F N 0.504 120.513 119.950 0.099 0.000 2.161 69 F HA -0.143 4.385 4.527 0.002 0.000 0.300 69 F C 2.094 177.960 175.800 0.110 0.000 1.089 69 F CA 1.423 59.508 58.000 0.142 0.000 1.282 69 F CB -0.877 38.306 39.000 0.305 0.000 1.010 69 F HN -0.263 nan 8.300 nan 0.000 0.485 70 L N 0.003 121.196 121.223 -0.051 0.000 2.209 70 L HA 0.002 4.343 4.340 0.002 0.000 0.207 70 L C 0.895 177.679 176.870 -0.143 0.000 1.094 70 L CA -0.020 54.711 54.840 -0.183 0.000 0.790 70 L CB -0.489 41.589 42.059 0.032 0.000 0.932 70 L HN -0.018 nan 8.230 nan 0.000 0.447 71 L N 0.742 121.928 121.223 -0.063 0.000 2.540 71 L HA -0.024 4.318 4.340 0.002 0.000 0.276 71 L C 1.407 178.230 176.870 -0.078 0.000 1.212 71 L CA 0.892 55.703 54.840 -0.048 0.000 0.893 71 L CB 0.073 42.123 42.059 -0.015 0.000 1.138 71 L HN 0.443 nan 8.230 nan 0.000 0.491 72 G N 2.001 110.761 108.800 -0.066 0.000 2.205 72 G HA2 -0.239 3.723 3.960 0.002 0.000 0.261 72 G HA3 -0.239 3.723 3.960 0.002 0.000 0.261 72 G C 0.444 175.291 174.900 -0.088 0.000 0.980 72 G CA -0.190 44.870 45.100 -0.066 0.000 0.632 72 G HN 0.487 nan 8.290 nan 0.000 0.533 73 K N 0.579 120.899 120.400 -0.133 0.000 2.168 73 K HA 0.370 4.691 4.320 0.002 0.000 0.258 73 K C 0.516 177.063 176.600 -0.087 0.000 1.010 73 K CA -0.316 55.882 56.287 -0.148 0.000 0.929 73 K CB 0.465 32.812 32.500 -0.255 0.000 0.998 73 K HN 0.203 nan 8.250 nan 0.000 0.479 74 Q N 0.816 120.577 119.800 -0.066 0.000 2.295 74 Q HA 0.163 4.505 4.340 0.002 0.000 0.259 74 Q C 0.617 176.601 176.000 -0.027 0.000 0.976 74 Q CA -0.013 55.769 55.803 -0.036 0.000 0.923 74 Q CB 1.392 30.117 28.738 -0.022 0.000 1.185 74 Q HN 0.696 nan 8.270 nan 0.000 0.410 75 A N 2.949 125.759 122.820 -0.017 0.000 2.119 75 A HA -0.001 4.320 4.320 0.002 0.000 0.217 75 A C 1.734 179.326 177.584 0.012 0.000 1.153 75 A CA 1.237 53.272 52.037 -0.004 0.000 0.692 75 A CB -0.162 18.837 19.000 -0.001 0.000 0.799 75 A HN 0.782 nan 8.150 nan 0.000 0.458 76 G N -0.685 108.122 108.800 0.011 0.000 2.509 76 G HA2 0.008 3.970 3.960 0.002 0.000 0.218 76 G HA3 0.008 3.970 3.960 0.002 0.000 0.218 76 G C 0.872 175.787 174.900 0.026 0.000 1.124 76 G CA 0.855 45.967 45.100 0.021 0.000 0.776 76 G HN 0.425 nan 8.290 nan 0.000 0.547 77 S N 0.252 115.962 115.700 0.018 0.000 3.697 77 S HA 0.226 4.697 4.470 0.002 0.000 0.207 77 S C 1.589 176.207 174.600 0.031 0.000 1.459 77 S CA -0.543 57.670 58.200 0.022 0.000 1.122 77 S CB 0.580 63.788 63.200 0.014 0.000 1.311 77 S HN 0.512 nan 8.310 nan 0.000 0.487 78 R N 1.476 122.000 120.500 0.041 0.000 2.066 78 R HA -0.002 4.340 4.340 0.002 0.000 0.232 78 R C 1.649 177.975 176.300 0.044 0.000 1.131 78 R CA 1.195 57.324 56.100 0.048 0.000 0.955 78 R CB -0.286 30.054 30.300 0.067 0.000 0.851 78 R HN 0.458 nan 8.270 nan 0.000 0.432 79 L N 0.620 121.869 121.223 0.043 0.000 1.989 79 L HA -0.193 4.148 4.340 0.002 0.000 0.211 79 L C 2.766 179.650 176.870 0.023 0.000 1.071 79 L CA 1.887 56.747 54.840 0.033 0.000 0.749 79 L CB -0.676 41.403 42.059 0.033 0.000 0.890 79 L HN 0.382 nan 8.230 nan 0.000 0.431 80 S N -0.341 115.376 115.700 0.028 0.000 2.414 80 S HA -0.046 4.425 4.470 0.002 0.000 0.227 80 S C 1.985 176.610 174.600 0.042 0.000 1.022 80 S CA 0.416 58.633 58.200 0.028 0.000 0.958 80 S CB -0.462 62.759 63.200 0.035 0.000 0.797 80 S HN 0.325 nan 8.310 nan 0.000 0.493 81 L N 1.057 122.317 121.223 0.061 0.000 2.046 81 L HA -0.040 4.302 4.340 0.002 0.000 0.208 81 L C 2.743 179.643 176.870 0.051 0.000 1.077 81 L CA 1.105 56.013 54.840 0.114 0.000 0.747 81 L CB -0.654 41.456 42.059 0.085 0.000 0.896 81 L HN 0.250 nan 8.230 nan 0.000 0.432 82 V N 0.129 120.050 119.914 0.012 0.000 2.343 82 V HA -0.287 3.835 4.120 0.002 0.000 0.247 82 V C 2.675 178.711 176.094 -0.096 0.000 1.051 82 V CA 2.090 64.371 62.300 -0.032 0.000 1.036 82 V CB -0.696 31.125 31.823 -0.004 0.000 0.654 82 V HN 0.517 nan 8.190 nan 0.000 0.451 83 R N -0.102 120.352 120.500 -0.076 0.000 2.092 83 R HA -0.160 4.182 4.340 0.002 0.000 0.231 83 R C 2.199 178.376 176.300 -0.204 0.000 1.119 83 R CA 2.075 58.112 56.100 -0.105 0.000 0.970 83 R CB -0.637 29.629 30.300 -0.057 0.000 0.864 83 R HN 0.470 nan 8.270 nan 0.000 0.440 84 T N 1.479 115.898 114.554 -0.225 0.000 2.708 84 T HA -0.090 4.261 4.350 0.002 0.000 0.266 84 T C 1.837 175.995 174.700 -0.905 0.000 1.037 84 T CA 1.750 63.597 62.100 -0.421 0.000 1.146 84 T CB -0.136 68.572 68.868 -0.267 0.000 0.865 84 T HN 0.223 nan 8.240 nan 0.000 0.435 85 I N 1.041 121.141 120.570 -0.783 0.000 2.286 85 I HA -0.214 3.958 4.170 0.002 0.000 0.248 85 I C 2.699 178.417 176.117 -0.664 0.000 1.115 85 I CA 1.299 62.028 61.300 -0.953 0.000 1.392 85 I CB -0.489 37.230 38.000 -0.468 0.000 1.065 85 I HN 0.303 nan 8.210 nan 0.000 0.418 86 Q N 0.846 120.415 119.800 -0.384 0.000 2.181 86 Q HA -0.252 4.090 4.340 0.002 0.000 0.205 86 Q C 2.109 177.985 176.000 -0.207 0.000 0.980 86 Q CA 1.482 57.158 55.803 -0.212 0.000 0.862 86 Q CB -0.171 28.486 28.738 -0.135 0.000 0.905 86 Q HN 0.448 nan 8.270 nan 0.000 0.429 87 K N -0.430 119.771 120.400 -0.331 0.000 2.097 87 K HA -0.151 4.170 4.320 0.002 0.000 0.206 87 K C 1.579 178.169 176.600 -0.016 0.000 1.049 87 K CA 1.428 57.600 56.287 -0.192 0.000 0.933 87 K CB 0.041 32.411 32.500 -0.217 0.000 0.717 87 K HN 0.366 nan 8.250 nan 0.000 0.442 88 W N -1.333 119.918 121.300 -0.081 0.000 2.683 88 W HA 0.176 4.836 4.660 0.001 0.000 0.267 88 W C 0.522 177.003 176.519 -0.063 0.000 1.243 88 W CA 0.131 57.425 57.345 -0.085 0.000 1.380 88 W CB -0.305 29.094 29.460 -0.101 0.000 1.063 88 W HN 0.087 nan 8.180 nan 0.000 0.599 89 H N 1.219 120.303 119.070 0.024 0.000 2.750 89 H HA 0.060 4.617 4.556 0.002 0.000 0.261 89 H C 1.559 176.836 175.328 -0.086 0.000 1.387 89 H CA -0.076 55.956 56.048 -0.026 0.000 1.557 89 H CB 0.598 30.337 29.762 -0.037 0.000 1.756 89 H HN -0.272 nan 8.280 nan 0.000 0.580 90 Q N 2.540 122.410 119.800 0.117 0.000 2.096 90 Q HA -0.172 4.170 4.340 0.002 0.000 0.204 90 Q C 1.402 177.457 176.000 0.091 0.000 0.982 90 Q CA 1.380 57.218 55.803 0.058 0.000 0.850 90 Q CB 0.149 28.901 28.738 0.024 0.000 0.901 90 Q HN 0.605 nan 8.270 nan 0.000 0.422 91 R N -0.000 120.609 120.500 0.182 0.000 2.105 91 R HA -0.098 4.244 4.340 0.002 0.000 0.239 91 R C 2.149 178.472 176.300 0.037 0.000 1.135 91 R CA 1.352 57.537 56.100 0.142 0.000 0.967 91 R CB -0.849 29.566 30.300 0.193 0.000 0.861 91 R HN 0.401 nan 8.270 nan 0.000 0.442 92 A N 0.812 123.537 122.820 -0.159 0.000 1.970 92 A HA 0.132 4.453 4.320 0.002 0.000 0.216 92 A C 2.366 179.888 177.584 -0.103 0.000 1.170 92 A CA 1.118 52.966 52.037 -0.316 0.000 0.645 92 A CB -0.342 18.009 19.000 -1.082 0.000 0.816 92 A HN 0.298 nan 8.150 nan 0.000 0.447 93 A N -0.395 122.367 122.820 -0.096 0.000 1.917 93 A HA -0.176 4.145 4.320 0.002 0.000 0.219 93 A C 2.462 180.044 177.584 -0.003 0.000 1.182 93 A CA 2.279 54.282 52.037 -0.057 0.000 0.633 93 A CB -0.998 17.958 19.000 -0.073 0.000 0.819 93 A HN 0.520 nan 8.150 nan 0.000 0.448 94 S N -0.616 115.092 115.700 0.013 0.000 2.348 94 S HA -0.075 4.396 4.470 0.002 0.000 0.221 94 S C 2.256 176.867 174.600 0.018 0.000 1.033 94 S CA 1.725 59.935 58.200 0.017 0.000 1.010 94 S CB -0.590 62.633 63.200 0.038 0.000 0.891 94 S HN 0.910 nan 8.310 nan 0.000 0.442 95 A N 0.798 123.665 122.820 0.079 0.000 1.892 95 A HA -0.100 4.221 4.320 0.002 0.000 0.218 95 A C 2.347 179.995 177.584 0.106 0.000 1.188 95 A CA 2.147 54.259 52.037 0.125 0.000 0.631 95 A CB -1.199 17.967 19.000 0.275 0.000 0.822 95 A HN 0.473 nan 8.150 nan 0.000 0.447 96 V N 0.845 120.832 119.914 0.122 0.000 2.427 96 V HA -0.232 3.889 4.120 0.002 0.000 0.248 96 V C 3.004 179.126 176.094 0.047 0.000 1.051 96 V CA 2.318 64.680 62.300 0.103 0.000 1.048 96 V CB -0.874 31.013 31.823 0.107 0.000 0.666 96 V HN 0.854 nan 8.190 nan 0.000 0.456 97 S N -0.018 115.692 115.700 0.017 0.000 2.368 97 S HA -0.242 4.229 4.470 0.002 0.000 0.225 97 S C 1.977 176.554 174.600 -0.039 0.000 1.030 97 S CA 1.842 60.044 58.200 0.005 0.000 0.999 97 S CB -0.505 62.697 63.200 0.005 0.000 0.844 97 S HN 0.526 nan 8.310 nan 0.000 0.459 98 M N 1.694 121.208 119.600 -0.143 0.000 2.099 98 M HA 0.047 4.529 4.480 0.002 0.000 0.262 98 M C 2.809 179.074 176.300 -0.059 0.000 1.067 98 M CA 1.545 56.628 55.300 -0.361 0.000 1.124 98 M CB -0.781 31.488 32.600 -0.552 0.000 1.353 98 M HN 0.536 nan 8.290 nan 0.000 0.410 99 A N 0.537 123.376 122.820 0.031 0.000 1.933 99 A HA -0.107 4.214 4.320 0.002 0.000 0.218 99 A C 2.105 179.735 177.584 0.077 0.000 1.175 99 A CA 1.395 53.485 52.037 0.088 0.000 0.628 99 A CB -0.918 18.116 19.000 0.056 0.000 0.814 99 A HN 0.464 nan 8.150 nan 0.000 0.444 100 L N -0.935 120.323 121.223 0.059 0.000 2.217 100 L HA -0.099 4.242 4.340 0.002 0.000 0.211 100 L C 2.618 179.540 176.870 0.087 0.000 1.107 100 L CA 1.446 56.323 54.840 0.061 0.000 0.783 100 L CB -0.632 41.460 42.059 0.055 0.000 0.919 100 L HN 0.327 nan 8.230 nan 0.000 0.442 101 T N -0.995 113.627 114.554 0.114 0.000 2.812 101 T HA -0.199 4.152 4.350 0.002 0.000 0.264 101 T C 1.759 176.550 174.700 0.152 0.000 1.042 101 T CA 1.282 63.483 62.100 0.168 0.000 1.140 101 T CB -0.011 69.020 68.868 0.272 0.000 0.870 101 T HN 0.372 nan 8.240 nan 0.000 0.445 102 E N 0.778 121.098 120.200 0.200 0.000 2.077 102 E HA -0.115 4.236 4.350 0.002 0.000 0.193 102 E C 2.140 178.796 176.600 0.093 0.000 0.989 102 E CA 0.969 57.475 56.400 0.177 0.000 0.800 102 E CB -0.260 29.595 29.700 0.258 0.000 0.746 102 E HN 0.463 nan 8.360 nan 0.000 0.452 103 I N 1.088 121.707 120.570 0.082 0.000 2.151 103 I HA -0.324 3.848 4.170 0.002 0.000 0.243 103 I C 2.615 178.754 176.117 0.036 0.000 1.080 103 I CA 1.278 62.606 61.300 0.048 0.000 1.339 103 I CB -0.384 37.637 38.000 0.034 0.000 1.039 103 I HN 0.236 nan 8.210 nan 0.000 0.409 104 A N 0.581 123.428 122.820 0.045 0.000 1.877 104 A HA -0.190 4.131 4.320 0.002 0.000 0.216 104 A C 2.545 180.133 177.584 0.008 0.000 1.186 104 A CA 1.951 54.009 52.037 0.035 0.000 0.620 104 A CB -0.981 18.055 19.000 0.060 0.000 0.822 104 A HN 0.448 nan 8.150 nan 0.000 0.443 105 A N -0.267 122.545 122.820 -0.014 0.000 1.908 105 A HA -0.207 4.114 4.320 0.002 0.000 0.218 105 A C 2.129 179.689 177.584 -0.040 0.000 1.181 105 A CA 2.000 54.000 52.037 -0.063 0.000 0.627 105 A CB -0.470 18.456 19.000 -0.123 0.000 0.818 105 A HN 0.562 nan 8.150 nan 0.000 0.445 106 K N -0.507 119.885 120.400 -0.013 0.000 2.057 106 K HA -0.006 4.315 4.320 0.002 0.000 0.206 106 K C 2.251 178.848 176.600 -0.006 0.000 1.050 106 K CA 1.042 57.325 56.287 -0.006 0.000 0.935 106 K CB -0.300 32.209 32.500 0.014 0.000 0.715 106 K HN 0.438 nan 8.250 nan 0.000 0.439 107 A N 1.155 123.975 122.820 0.000 0.000 2.019 107 A HA -0.062 4.259 4.320 0.002 0.000 0.219 107 A C 2.172 179.754 177.584 -0.003 0.000 1.164 107 A CA 1.723 53.761 52.037 0.002 0.000 0.644 107 A CB -0.414 18.591 19.000 0.007 0.000 0.805 107 A HN 0.325 nan 8.150 nan 0.000 0.449 108 A N -1.503 121.311 122.820 -0.010 0.000 2.218 108 A HA 0.300 4.621 4.320 0.002 0.000 0.209 108 A C 0.804 178.375 177.584 -0.022 0.000 1.168 108 A CA 1.049 53.078 52.037 -0.014 0.000 0.804 108 A CB -0.224 18.765 19.000 -0.019 0.000 0.834 108 A HN 0.542 nan 8.150 nan 0.000 0.482 109 D N -1.483 118.903 120.400 -0.024 0.000 2.716 109 D HA -0.157 4.484 4.640 0.002 0.000 0.239 109 D C -0.151 176.123 176.300 -0.043 0.000 1.125 109 D CA 0.913 54.896 54.000 -0.028 0.000 0.681 109 D CB -1.917 38.871 40.800 -0.020 0.000 1.070 109 D HN 0.921 nan 8.370 nan 0.000 0.432 110 C N -1.291 117.971 119.300 -0.063 0.000 3.291 110 C HA 0.893 5.354 4.460 0.002 0.000 0.316 110 C C 0.643 175.551 174.990 -0.137 0.000 1.391 110 C CA -0.195 58.769 59.018 -0.091 0.000 1.394 110 C CB 1.302 28.990 27.740 -0.087 0.000 1.744 110 C HN 0.570 nan 8.230 nan 0.000 0.461 111 S N 0.762 116.350 115.700 -0.185 0.000 2.603 111 S HA 0.382 4.854 4.470 0.002 0.000 0.268 111 S C 0.937 175.284 174.600 -0.423 0.000 1.317 111 S CA 0.064 58.085 58.200 -0.298 0.000 1.012 111 S CB 0.937 63.945 63.200 -0.320 0.000 0.926 111 S HN 1.203 nan 8.310 nan 0.000 0.539 112 V N 1.125 120.657 119.914 -0.638 0.000 2.282 112 V HA -0.246 3.875 4.120 0.002 0.000 0.249 112 V C 2.752 178.239 176.094 -1.011 0.000 1.057 112 V CA 2.259 64.030 62.300 -0.882 0.000 1.032 112 V CB -1.313 29.875 31.823 -1.059 0.000 0.645 112 V HN 1.114 nan 8.190 nan 0.000 0.447 113 C N 0.050 118.846 119.300 -0.841 0.000 2.398 113 C HA -0.222 4.240 4.460 0.002 0.000 0.276 113 C C 2.665 177.551 174.990 -0.174 0.000 1.222 113 C CA 1.494 60.292 59.018 -0.367 0.000 1.746 113 C CB -1.214 26.389 27.740 -0.229 0.000 2.039 113 C HN 0.666 nan 8.230 nan 0.000 0.470 114 E N 0.352 120.426 120.200 -0.210 0.000 2.110 114 E HA -0.233 4.118 4.350 0.002 0.000 0.193 114 E C 1.970 178.525 176.600 -0.074 0.000 0.988 114 E CA 1.040 57.372 56.400 -0.113 0.000 0.804 114 E CB -0.348 29.285 29.700 -0.111 0.000 0.745 114 E HN 0.557 nan 8.360 nan 0.000 0.458 115 L N 0.352 121.481 121.223 -0.157 0.000 2.042 115 L HA -0.155 4.187 4.340 0.002 0.000 0.210 115 L C 1.576 178.524 176.870 0.130 0.000 1.076 115 L CA 1.517 56.310 54.840 -0.078 0.000 0.749 115 L CB -0.289 41.648 42.059 -0.203 0.000 0.893 115 L HN 0.219 nan 8.230 nan 0.000 0.432 116 W N 0.138 121.443 121.300 0.008 0.000 3.077 116 W HA 0.377 5.038 4.660 0.003 0.000 0.245 116 W C 1.671 178.200 176.519 0.016 0.000 1.316 116 W CA 0.626 57.991 57.345 0.034 0.000 1.537 116 W CB -0.944 28.554 29.460 0.064 0.000 1.131 116 W HN 0.460 nan 8.180 nan 0.000 0.695 117 G N -0.675 108.236 108.800 0.184 0.000 2.175 117 G HA2 0.185 4.147 3.960 0.002 0.000 0.182 117 G HA3 0.185 4.147 3.960 0.002 0.000 0.182 117 G C 0.522 175.431 174.900 0.014 0.000 1.003 117 G CA -0.264 44.886 45.100 0.084 0.000 0.666 117 G HN 0.829 nan 8.290 nan 0.000 0.506 118 G N -0.515 108.298 108.800 0.022 0.000 2.788 118 G HA2 0.362 4.324 3.960 0.002 0.000 0.686 118 G HA3 0.362 4.324 3.960 0.002 0.000 0.686 118 G C -0.049 174.824 174.900 -0.045 0.000 1.147 118 G CA 0.449 45.527 45.100 -0.037 0.000 0.755 118 G HN 1.722 nan 8.290 nan 0.000 0.634 119 R N 0.753 121.245 120.500 -0.014 0.000 2.615 119 R HA 0.557 4.899 4.340 0.002 0.000 0.270 119 R C 0.262 176.564 176.300 0.002 0.000 1.081 119 R CA -0.381 55.755 56.100 0.060 0.000 1.154 119 R CB 0.651 31.006 30.300 0.091 0.000 1.063 119 R HN 0.544 nan 8.270 nan 0.000 0.519 120 Y N -0.141 120.208 120.300 0.081 0.000 2.510 120 Y HA 0.152 4.703 4.550 0.002 0.000 0.273 120 Y C 0.640 176.576 175.900 0.059 0.000 1.119 120 Y CA 0.522 58.657 58.100 0.059 0.000 1.286 120 Y CB 0.449 38.943 38.460 0.056 0.000 1.061 120 Y HN 0.616 nan 8.280 nan 0.000 0.542 121 R N -0.253 120.377 120.500 0.216 0.000 2.728 121 R HA 0.262 4.603 4.340 0.002 0.000 0.274 121 R C -0.784 175.590 176.300 0.123 0.000 1.030 121 R CA -0.484 55.708 56.100 0.154 0.000 0.876 121 R CB 0.684 31.082 30.300 0.164 0.000 1.259 121 R HN 0.163 nan 8.270 nan 0.000 0.468 122 E N 0.003 120.253 120.200 0.083 0.000 2.641 122 E HA 0.258 4.609 4.350 0.002 0.000 0.224 122 E C -0.815 175.784 176.600 -0.003 0.000 0.951 122 E CA -0.452 55.990 56.400 0.070 0.000 1.102 122 E CB 0.906 30.652 29.700 0.076 0.000 1.091 122 E HN 0.583 nan 8.360 nan 0.000 0.507 123 E N 1.408 121.574 120.200 -0.057 0.000 2.199 123 E HA 0.392 4.743 4.350 0.002 0.000 0.265 123 E C -0.980 175.562 176.600 -0.096 0.000 0.882 123 E CA -0.859 55.413 56.400 -0.212 0.000 0.759 123 E CB 1.985 31.505 29.700 -0.301 0.000 1.148 123 E HN 0.119 nan 8.360 nan 0.000 0.412 124 I N 4.020 124.535 120.570 -0.091 0.000 2.436 124 I HA 0.337 4.508 4.170 0.002 0.000 0.289 124 I C -2.362 173.738 176.117 -0.028 0.000 1.010 124 I CA -2.930 58.366 61.300 -0.007 0.000 1.098 124 I CB 1.255 39.287 38.000 0.054 0.000 1.266 124 I HN 0.263 nan 8.210 nan 0.000 0.434 125 P HA 0.339 nan 4.420 nan 0.000 0.274 125 P C -0.651 176.699 177.300 0.083 0.000 1.237 125 P CA -0.119 62.997 63.100 0.027 0.000 0.793 125 P CB 1.600 33.337 31.700 0.061 0.000 0.977 126 V N -0.420 119.551 119.914 0.095 0.000 3.078 126 V HA 0.727 4.848 4.120 0.002 0.000 0.311 126 V C -1.167 175.084 176.094 0.261 0.000 1.138 126 V CA -1.201 61.185 62.300 0.142 0.000 1.007 126 V CB 1.646 33.548 31.823 0.132 0.000 1.045 126 V HN 0.601 nan 8.190 nan 0.000 0.432 127 Y N 1.113 121.527 120.300 0.190 0.000 2.487 127 Y HA 0.948 5.499 4.550 0.002 0.000 0.337 127 Y C 0.115 175.963 175.900 -0.087 0.000 1.076 127 Y CA -0.997 57.157 58.100 0.089 0.000 1.115 127 Y CB 1.529 39.981 38.460 -0.013 0.000 1.235 127 Y HN 1.029 nan 8.280 nan 0.000 0.468 128 A N 2.234 124.883 122.820 -0.285 0.000 2.354 128 A HA 0.483 4.804 4.320 0.002 0.000 0.281 128 A C -0.071 177.228 177.584 -0.475 0.000 1.174 128 A CA -0.292 51.267 52.037 -0.797 0.000 0.828 128 A CB -0.134 18.077 19.000 -1.314 0.000 1.099 128 A HN 0.751 nan 8.150 nan 0.000 0.516 129 S N 2.389 117.786 115.700 -0.504 0.000 2.454 129 S HA 0.781 5.253 4.470 0.002 0.000 0.306 129 S C -1.009 173.286 174.600 -0.509 0.000 1.100 129 S CA -0.415 57.628 58.200 -0.262 0.000 1.087 129 S CB 0.065 63.214 63.200 -0.084 0.000 1.019 129 S HN 0.410 nan 8.310 nan 0.000 0.480 130 F N 2.485 122.391 119.950 -0.074 0.000 2.495 130 F HA 0.441 4.970 4.527 0.002 0.000 0.327 130 F C 0.471 176.221 175.800 -0.083 0.000 1.103 130 F CA -0.826 57.113 58.000 -0.102 0.000 0.949 130 F CB 1.828 40.776 39.000 -0.086 0.000 1.142 130 F HN 0.373 nan 8.300 nan 0.000 0.457 131 Q N 2.173 122.007 119.800 0.056 0.000 2.566 131 Q HA 0.175 4.516 4.340 0.002 0.000 0.221 131 Q C 0.819 176.887 176.000 0.114 0.000 1.195 131 Q CA -0.023 55.822 55.803 0.071 0.000 0.967 131 Q CB 1.146 29.960 28.738 0.127 0.000 1.337 131 Q HN 0.740 nan 8.270 nan 0.000 0.553 132 S N 1.350 117.064 115.700 0.022 0.000 2.400 132 S HA -0.104 4.367 4.470 0.002 0.000 0.232 132 S C 0.215 174.814 174.600 -0.003 0.000 1.025 132 S CA 1.143 59.325 58.200 -0.030 0.000 0.993 132 S CB -0.021 63.094 63.200 -0.142 0.000 0.808 132 S HN 0.465 nan 8.310 nan 0.000 0.478 133 Y N 2.003 122.348 120.300 0.076 0.000 2.313 133 Y HA 0.455 5.007 4.550 0.002 0.000 0.332 133 Y C 0.692 176.773 175.900 0.303 0.000 1.071 133 Y CA -1.185 56.892 58.100 -0.040 0.000 1.169 133 Y CB 0.769 39.035 38.460 -0.322 0.000 1.192 133 Y HN 0.016 nan 8.280 nan 0.000 0.487 134 S N 0.226 116.215 115.700 0.482 0.000 2.634 134 S HA 0.284 4.755 4.470 0.002 0.000 0.296 134 S C -0.514 174.215 174.600 0.214 0.000 1.104 134 S CA -1.086 57.319 58.200 0.341 0.000 0.920 134 S CB 1.841 65.188 63.200 0.245 0.000 1.111 134 S HN 0.576 nan 8.310 nan 0.000 0.493 135 D N 1.422 121.698 120.400 -0.207 0.000 3.032 135 D HA 0.265 4.907 4.640 0.002 0.000 0.241 135 D C -0.371 175.923 176.300 -0.011 0.000 1.196 135 D CA 0.312 54.158 54.000 -0.258 0.000 0.927 135 D CB -0.561 39.859 40.800 -0.634 0.000 1.129 135 D HN 0.542 nan 8.370 nan 0.000 0.458 136 S N -0.071 115.710 115.700 0.134 0.000 2.546 136 S HA 0.479 4.950 4.470 0.002 0.000 0.272 136 S C -2.393 172.355 174.600 0.247 0.000 1.140 136 S CA -1.213 57.077 58.200 0.151 0.000 0.920 136 S CB 2.044 65.322 63.200 0.131 0.000 1.083 136 S HN -0.170 nan 8.310 nan 0.000 0.476 137 P HA 0.025 nan 4.420 nan 0.000 0.231 137 P C 0.511 177.907 177.300 0.161 0.000 1.158 137 P CA 0.729 63.946 63.100 0.195 0.000 0.763 137 P CB 0.133 31.901 31.700 0.114 0.000 0.805 138 Q N -1.592 118.286 119.800 0.130 0.000 2.220 138 Q HA 0.029 4.370 4.340 0.002 0.000 0.205 138 Q C 1.523 177.532 176.000 0.017 0.000 0.865 138 Q CA -0.004 55.820 55.803 0.035 0.000 0.960 138 Q CB -0.615 28.145 28.738 0.037 0.000 1.097 138 Q HN 0.599 nan 8.270 nan 0.000 0.493 139 W N 0.438 121.760 121.300 0.036 0.000 2.313 139 W HA -0.206 4.455 4.660 0.002 0.000 0.293 139 W C 1.037 177.537 176.519 -0.033 0.000 1.216 139 W CA 0.577 57.942 57.345 0.032 0.000 1.223 139 W CB -0.997 28.520 29.460 0.095 0.000 1.138 139 W HN 0.054 nan 8.180 nan 0.000 0.535 140 I N 2.399 122.381 120.570 -0.979 0.000 2.133 140 I HA -0.305 3.866 4.170 0.002 0.000 0.238 140 I C 2.964 178.876 176.117 -0.342 0.000 1.074 140 I CA 2.420 63.164 61.300 -0.927 0.000 1.342 140 I CB -0.955 36.485 38.000 -0.933 0.000 1.053 140 I HN -0.005 nan 8.210 nan 0.000 0.404 141 S N 1.170 116.731 115.700 -0.232 0.000 2.423 141 S HA -0.090 4.382 4.470 0.002 0.000 0.231 141 S C 2.016 176.579 174.600 -0.061 0.000 1.014 141 S CA 0.423 58.555 58.200 -0.114 0.000 0.965 141 S CB -0.382 62.770 63.200 -0.080 0.000 0.785 141 S HN 0.338 nan 8.310 nan 0.000 0.495 142 R N 1.579 122.060 120.500 -0.031 0.000 2.081 142 R HA 0.005 4.346 4.340 0.002 0.000 0.235 142 R C 2.671 178.983 176.300 0.019 0.000 1.131 142 R CA 1.399 57.516 56.100 0.027 0.000 0.960 142 R CB -1.503 28.852 30.300 0.093 0.000 0.856 142 R HN 0.592 nan 8.270 nan 0.000 0.436 143 S N 0.826 116.528 115.700 0.003 0.000 2.345 143 S HA -0.092 4.380 4.470 0.002 0.000 0.220 143 S C 2.213 176.747 174.600 -0.110 0.000 1.031 143 S CA 1.316 59.505 58.200 -0.019 0.000 0.996 143 S CB -0.229 63.018 63.200 0.078 0.000 0.882 143 S HN 0.088 nan 8.310 nan 0.000 0.445 144 V N 1.873 121.733 119.914 -0.089 0.000 2.278 144 V HA -0.214 3.908 4.120 0.002 0.000 0.251 144 V C 2.725 178.765 176.094 -0.090 0.000 1.062 144 V CA 2.433 64.668 62.300 -0.109 0.000 1.038 144 V CB -1.279 30.494 31.823 -0.083 0.000 0.646 144 V HN 0.526 nan 8.190 nan 0.000 0.447 145 S N -0.056 115.613 115.700 -0.052 0.000 2.355 145 S HA -0.197 4.274 4.470 0.002 0.000 0.222 145 S C 1.878 176.471 174.600 -0.011 0.000 1.031 145 S CA 1.713 59.901 58.200 -0.021 0.000 0.993 145 S CB -0.533 62.668 63.200 0.002 0.000 0.859 145 S HN 0.626 nan 8.310 nan 0.000 0.453 146 N N 1.107 119.797 118.700 -0.016 0.000 2.084 146 N HA -0.063 4.679 4.740 0.002 0.000 0.190 146 N C 1.601 177.121 175.510 0.017 0.000 1.030 146 N CA 1.026 54.100 53.050 0.040 0.000 0.849 146 N CB -0.518 38.012 38.487 0.072 0.000 1.012 146 N HN 0.144 nan 8.380 nan 0.000 0.423 147 V N 1.148 120.895 119.914 -0.278 0.000 2.295 147 V HA -0.211 3.911 4.120 0.002 0.000 0.246 147 V C 1.920 177.982 176.094 -0.054 0.000 1.049 147 V CA 1.572 63.662 62.300 -0.349 0.000 1.024 147 V CB -0.528 30.978 31.823 -0.529 0.000 0.648 147 V HN 0.376 nan 8.190 nan 0.000 0.447 148 E N 0.359 120.528 120.200 -0.052 0.000 2.086 148 E HA -0.302 4.050 4.350 0.002 0.000 0.200 148 E C 2.287 178.917 176.600 0.050 0.000 1.012 148 E CA 1.605 58.004 56.400 -0.001 0.000 0.812 148 E CB -0.370 29.324 29.700 -0.009 0.000 0.743 148 E HN 0.627 nan 8.360 nan 0.000 0.453 149 A N 0.991 123.854 122.820 0.072 0.000 1.930 149 A HA -0.187 4.134 4.320 0.002 0.000 0.217 149 A C 2.066 179.735 177.584 0.141 0.000 1.175 149 A CA 1.104 53.198 52.037 0.095 0.000 0.627 149 A CB -0.146 18.912 19.000 0.096 0.000 0.815 149 A HN 0.115 nan 8.150 nan 0.000 0.443 150 Q N -0.246 119.675 119.800 0.203 0.000 2.187 150 Q HA 0.084 4.426 4.340 0.002 0.000 0.199 150 Q C 2.030 178.231 176.000 0.334 0.000 0.957 150 Q CA 0.697 56.678 55.803 0.296 0.000 0.857 150 Q CB -0.403 28.488 28.738 0.254 0.000 0.929 150 Q HN 0.703 nan 8.270 nan 0.000 0.453 151 L N 0.549 121.897 121.223 0.210 0.000 2.265 151 L HA -0.142 4.199 4.340 0.002 0.000 0.215 151 L C 2.280 179.213 176.870 0.105 0.000 1.117 151 L CA 1.000 55.932 54.840 0.153 0.000 0.782 151 L CB -0.274 41.834 42.059 0.081 0.000 0.914 151 L HN 0.140 nan 8.230 nan 0.000 0.441 152 K N 0.091 120.547 120.400 0.093 0.000 2.288 152 K HA -0.072 4.249 4.320 0.002 0.000 0.201 152 K C 1.758 178.381 176.600 0.039 0.000 1.048 152 K CA 0.660 56.979 56.287 0.054 0.000 0.956 152 K CB 0.209 32.737 32.500 0.047 0.000 0.746 152 K HN 0.282 nan 8.250 nan 0.000 0.461 153 K N -0.814 119.628 120.400 0.070 0.000 2.418 153 K HA 0.050 4.371 4.320 0.002 0.000 0.195 153 K C 0.943 177.473 176.600 -0.116 0.000 1.035 153 K CA 0.887 57.167 56.287 -0.012 0.000 1.003 153 K CB 0.776 33.291 32.500 0.026 0.000 0.793 153 K HN 0.299 nan 8.250 nan 0.000 0.494 154 G N 1.517 110.290 108.800 -0.044 0.000 2.163 154 G HA2 -0.216 3.746 3.960 0.002 0.000 0.213 154 G HA3 -0.216 3.746 3.960 0.002 0.000 0.213 154 G C -0.133 174.700 174.900 -0.112 0.000 0.991 154 G CA -0.648 44.396 45.100 -0.092 0.000 0.653 154 G HN 0.137 nan 8.290 nan 0.000 0.518 155 F N 1.507 121.445 119.950 -0.020 0.000 2.529 155 F HA 0.413 4.941 4.527 0.002 0.000 0.365 155 F C 1.575 177.378 175.800 0.005 0.000 1.102 155 F CA 0.766 58.760 58.000 -0.009 0.000 1.271 155 F CB 0.743 39.752 39.000 0.015 0.000 1.120 155 F HN 0.231 nan 8.300 nan 0.000 0.579 156 E N 1.479 121.798 120.200 0.199 0.000 2.583 156 E HA 0.133 4.484 4.350 0.002 0.000 0.213 156 E C -0.678 175.978 176.600 0.092 0.000 0.989 156 E CA -0.119 56.347 56.400 0.110 0.000 0.991 156 E CB 0.448 30.182 29.700 0.057 0.000 1.040 156 E HN 0.644 nan 8.360 nan 0.000 0.481 157 Q N 1.340 121.227 119.800 0.146 0.000 2.345 157 Q HA 0.636 4.977 4.340 0.002 0.000 0.275 157 Q C -0.681 175.372 176.000 0.088 0.000 1.063 157 Q CA -0.794 55.047 55.803 0.063 0.000 0.819 157 Q CB 2.804 31.568 28.738 0.043 0.000 1.356 157 Q HN 0.137 nan 8.270 nan 0.000 0.418 158 I N -2.267 118.291 120.570 -0.021 0.000 2.994 158 I HA 0.739 4.910 4.170 0.002 0.000 0.306 158 I C -1.605 174.458 176.117 -0.091 0.000 1.195 158 I CA -1.104 60.229 61.300 0.054 0.000 1.001 158 I CB 2.672 40.763 38.000 0.152 0.000 1.244 158 I HN 0.507 nan 8.210 nan 0.000 0.437 159 K N 3.854 124.285 120.400 0.051 0.000 2.397 159 K HA 0.753 5.074 4.320 0.002 0.000 0.253 159 K C -1.408 175.249 176.600 0.094 0.000 0.932 159 K CA -0.640 55.608 56.287 -0.066 0.000 0.795 159 K CB 2.293 34.755 32.500 -0.063 0.000 1.159 159 K HN 0.744 nan 8.250 nan 0.000 0.424 160 V N 0.072 119.965 119.914 -0.034 0.000 3.074 160 V HA 0.661 4.783 4.120 0.002 0.000 0.314 160 V C -1.252 174.805 176.094 -0.061 0.000 1.117 160 V CA -1.117 61.172 62.300 -0.018 0.000 1.014 160 V CB 1.829 33.580 31.823 -0.120 0.000 1.057 160 V HN 0.581 nan 8.190 nan 0.000 0.438 161 K N 3.129 123.481 120.400 -0.080 0.000 2.172 161 K HA 0.704 5.026 4.320 0.002 0.000 0.276 161 K C -0.306 176.223 176.600 -0.118 0.000 1.013 161 K CA -0.168 56.036 56.287 -0.138 0.000 0.913 161 K CB 1.524 33.871 32.500 -0.255 0.000 1.055 161 K HN 0.977 nan 8.250 nan 0.000 0.461 162 I N -3.887 116.686 120.570 0.005 0.000 3.145 162 I HA 0.746 4.917 4.170 0.002 0.000 0.313 162 I C 0.684 176.907 176.117 0.176 0.000 1.122 162 I CA -0.697 60.709 61.300 0.176 0.000 0.987 162 I CB 2.272 40.320 38.000 0.080 0.000 1.236 162 I HN 0.612 nan 8.210 nan 0.000 0.453 163 G N 1.287 110.243 108.800 0.261 0.000 2.176 163 G HA2 -0.189 3.772 3.960 0.002 0.000 0.232 163 G HA3 -0.189 3.772 3.960 0.002 0.000 0.232 163 G C 0.762 175.676 174.900 0.024 0.000 0.986 163 G CA 0.150 45.253 45.100 0.006 0.000 0.643 163 G HN 1.361 nan 8.290 nan 0.000 0.522 164 G N -1.102 107.715 108.800 0.028 0.000 3.020 164 G HA2 0.492 4.453 3.960 0.002 0.000 0.217 164 G HA3 0.492 4.453 3.960 0.002 0.000 0.217 164 G C 0.464 175.142 174.900 -0.370 0.000 1.144 164 G CA 1.796 46.703 45.100 -0.322 0.000 0.760 164 G HN 1.214 nan 8.290 nan 0.000 0.548 165 T N -0.792 113.685 114.554 -0.128 0.000 2.681 165 T HA 0.484 4.836 4.350 0.002 0.000 0.296 165 T C 0.191 174.970 174.700 0.133 0.000 1.157 165 T CA 0.387 62.458 62.100 -0.049 0.000 1.025 165 T CB 0.935 69.753 68.868 -0.083 0.000 1.441 165 T HN 0.341 nan 8.240 nan 0.000 0.504 166 S N 0.575 116.357 115.700 0.137 0.000 2.580 166 S HA 0.198 4.669 4.470 0.002 0.000 0.266 166 S C 1.125 175.874 174.600 0.249 0.000 1.354 166 S CA -0.230 58.079 58.200 0.182 0.000 1.008 166 S CB -0.083 63.197 63.200 0.133 0.000 0.898 166 S HN 0.657 nan 8.310 nan 0.000 0.555 167 F N 2.015 122.011 119.950 0.076 0.000 2.095 167 F HA -0.098 4.430 4.527 0.002 0.000 0.298 167 F C 2.479 178.226 175.800 -0.088 0.000 1.104 167 F CA 2.224 60.200 58.000 -0.040 0.000 1.232 167 F CB -0.382 38.494 39.000 -0.207 0.000 0.987 167 F HN 0.829 nan 8.300 nan 0.000 0.475 168 K N 0.464 120.863 120.400 -0.003 0.000 2.044 168 K HA -0.315 4.006 4.320 0.002 0.000 0.210 168 K C 2.202 178.746 176.600 -0.094 0.000 1.049 168 K CA 2.183 58.416 56.287 -0.090 0.000 0.927 168 K CB -0.534 31.988 32.500 0.036 0.000 0.713 168 K HN 0.546 nan 8.250 nan 0.000 0.443 169 E N -0.034 120.192 120.200 0.043 0.000 2.107 169 E HA -0.156 4.195 4.350 0.002 0.000 0.191 169 E C 1.443 178.202 176.600 0.264 0.000 0.982 169 E CA 1.153 57.647 56.400 0.156 0.000 0.809 169 E CB 0.122 29.972 29.700 0.250 0.000 0.756 169 E HN 0.330 nan 8.360 nan 0.000 0.459 170 D N 0.198 120.763 120.400 0.276 0.000 2.117 170 D HA -0.133 4.508 4.640 0.002 0.000 0.198 170 D C 2.078 178.520 176.300 0.237 0.000 0.982 170 D CA 0.911 55.173 54.000 0.436 0.000 0.828 170 D CB -0.114 41.050 40.800 0.607 0.000 0.967 170 D HN 0.110 nan 8.370 nan 0.000 0.464 171 V N 1.478 121.252 119.914 -0.234 0.000 2.332 171 V HA -0.264 3.857 4.120 0.002 0.000 0.248 171 V C 2.548 178.544 176.094 -0.164 0.000 1.055 171 V CA 1.537 63.566 62.300 -0.451 0.000 1.038 171 V CB -0.386 30.780 31.823 -1.095 0.000 0.651 171 V HN 0.158 nan 8.190 nan 0.000 0.450 172 R N -0.981 119.467 120.500 -0.086 0.000 2.083 172 R HA -0.216 4.125 4.340 0.002 0.000 0.237 172 R C 2.366 178.656 176.300 -0.017 0.000 1.137 172 R CA 2.024 58.104 56.100 -0.034 0.000 0.951 172 R CB -0.700 29.588 30.300 -0.020 0.000 0.851 172 R HN 0.718 nan 8.270 nan 0.000 0.434 173 H N 0.530 119.541 119.070 -0.098 0.000 2.290 173 H HA -0.132 4.425 4.556 0.002 0.000 0.298 173 H C 1.952 177.198 175.328 -0.137 0.000 1.087 173 H CA 1.656 57.606 56.048 -0.163 0.000 1.291 173 H CB 0.217 29.953 29.762 -0.043 0.000 1.369 173 H HN 0.039 nan 8.280 nan 0.000 0.492 174 I N 1.638 122.083 120.570 -0.209 0.000 2.226 174 I HA -0.249 3.922 4.170 0.002 0.000 0.245 174 I C 2.093 177.990 176.117 -0.366 0.000 1.100 174 I CA 0.852 61.933 61.300 -0.366 0.000 1.374 174 I CB -1.382 36.508 38.000 -0.184 0.000 1.057 174 I HN 0.368 nan 8.210 nan 0.000 0.413 175 N N 1.403 119.986 118.700 -0.194 0.000 2.166 175 N HA -0.112 4.629 4.740 0.002 0.000 0.186 175 N C 1.938 177.190 175.510 -0.430 0.000 1.019 175 N CA 1.595 54.481 53.050 -0.273 0.000 0.856 175 N CB -0.160 38.288 38.487 -0.065 0.000 0.993 175 N HN 0.387 nan 8.380 nan 0.000 0.426 176 A N 0.971 123.669 122.820 -0.204 0.000 1.933 176 A HA -0.046 4.276 4.320 0.002 0.000 0.218 176 A C 2.369 179.845 177.584 -0.180 0.000 1.175 176 A CA 0.882 52.859 52.037 -0.100 0.000 0.628 176 A CB -0.550 18.405 19.000 -0.074 0.000 0.814 176 A HN 0.211 nan 8.150 nan 0.000 0.444 177 L N -1.080 119.960 121.223 -0.305 0.000 2.131 177 L HA -0.148 4.193 4.340 0.002 0.000 0.206 177 L C 2.833 179.513 176.870 -0.318 0.000 1.087 177 L CA 0.758 55.406 54.840 -0.320 0.000 0.767 177 L CB -0.504 41.292 42.059 -0.438 0.000 0.917 177 L HN 0.351 nan 8.230 nan 0.000 0.441 178 Q N -0.038 119.501 119.800 -0.436 0.000 2.077 178 Q HA -0.250 4.091 4.340 0.002 0.000 0.206 178 Q C 2.051 177.903 176.000 -0.246 0.000 0.989 178 Q CA 1.930 57.476 55.803 -0.429 0.000 0.853 178 Q CB -0.539 27.855 28.738 -0.573 0.000 0.907 178 Q HN 0.666 nan 8.270 nan 0.000 0.418 179 H N -1.063 117.945 119.070 -0.102 0.000 2.491 179 H HA -0.015 4.542 4.556 0.002 0.000 0.290 179 H C 1.744 177.033 175.328 -0.066 0.000 1.050 179 H CA 1.249 57.261 56.048 -0.060 0.000 1.309 179 H CB 0.407 30.144 29.762 -0.042 0.000 1.392 179 H HN 0.159 nan 8.280 nan 0.000 0.554 180 T N -0.575 113.981 114.554 0.004 0.000 3.004 180 T HA 0.124 4.475 4.350 0.002 0.000 0.243 180 T C 2.260 176.933 174.700 -0.045 0.000 1.020 180 T CA 0.663 62.748 62.100 -0.024 0.000 1.145 180 T CB -0.038 68.799 68.868 -0.052 0.000 0.876 180 T HN 0.404 nan 8.240 nan 0.000 0.449 181 A N 0.778 123.545 122.820 -0.088 0.000 1.903 181 A HA 0.557 4.878 4.320 0.002 0.000 0.213 181 A C 1.483 179.026 177.584 -0.068 0.000 1.185 181 A CA 1.040 53.026 52.037 -0.084 0.000 0.628 181 A CB -1.033 17.891 19.000 -0.126 0.000 0.830 181 A HN 0.843 nan 8.150 nan 0.000 0.446 182 G N -1.078 107.670 108.800 -0.087 0.000 2.860 182 G HA2 -0.108 3.854 3.960 0.002 0.000 0.553 182 G HA3 -0.108 3.854 3.960 0.002 0.000 0.553 182 G C 0.717 175.579 174.900 -0.063 0.000 1.439 182 G CA 0.567 45.633 45.100 -0.057 0.000 0.879 182 G HN 1.531 nan 8.290 nan 0.000 0.545 183 S N -1.142 114.539 115.700 -0.031 0.000 2.547 183 S HA 0.037 4.508 4.470 0.002 0.000 0.235 183 S C 2.310 176.901 174.600 -0.015 0.000 0.980 183 S CA 1.812 59.999 58.200 -0.021 0.000 0.941 183 S CB -0.205 63.006 63.200 0.019 0.000 0.763 183 S HN 2.274 nan 8.310 nan 0.000 0.532 184 S N 0.586 116.277 115.700 -0.014 0.000 2.558 184 S HA 0.295 4.766 4.470 0.002 0.000 0.217 184 S C 0.517 175.110 174.600 -0.012 0.000 0.975 184 S CA -0.502 57.694 58.200 -0.005 0.000 0.912 184 S CB -0.427 62.774 63.200 0.002 0.000 0.776 184 S HN 0.424 nan 8.310 nan 0.000 0.526 185 I N 2.878 123.428 120.570 -0.033 0.000 2.336 185 I HA 0.324 4.495 4.170 0.002 0.000 0.292 185 I C 0.046 176.118 176.117 -0.076 0.000 0.991 185 I CA -0.242 61.033 61.300 -0.042 0.000 1.227 185 I CB 0.944 38.914 38.000 -0.050 0.000 1.366 185 I HN 0.045 nan 8.210 nan 0.000 0.466 186 T N 7.585 122.097 114.554 -0.071 0.000 2.832 186 T HA 0.402 4.753 4.350 0.002 0.000 0.296 186 T C 0.079 174.663 174.700 -0.193 0.000 0.968 186 T CA -0.185 61.843 62.100 -0.121 0.000 1.107 186 T CB 0.714 69.517 68.868 -0.107 0.000 0.916 186 T HN 0.428 nan 8.240 nan 0.000 0.517 187 M N 3.997 123.448 119.600 -0.249 0.000 2.253 187 M HA 0.524 5.005 4.480 0.002 0.000 0.314 187 M C -1.301 174.760 176.300 -0.398 0.000 1.019 187 M CA -0.602 54.514 55.300 -0.307 0.000 0.932 187 M CB 1.004 33.412 32.600 -0.320 0.000 1.606 187 M HN 0.521 nan 8.290 nan 0.000 0.430 188 I N 5.265 125.529 120.570 -0.509 0.000 2.377 188 I HA 0.408 4.580 4.170 0.002 0.000 0.293 188 I C -0.951 174.920 176.117 -0.410 0.000 0.987 188 I CA -0.646 60.242 61.300 -0.687 0.000 1.185 188 I CB 1.421 38.723 38.000 -1.162 0.000 1.341 188 I HN 0.556 nan 8.210 nan 0.000 0.455 189 L N 5.243 126.287 121.223 -0.298 0.000 2.313 189 L HA 0.488 4.829 4.340 0.002 0.000 0.283 189 L C -0.968 175.837 176.870 -0.107 0.000 1.013 189 L CA -0.539 54.176 54.840 -0.207 0.000 0.816 189 L CB 1.620 43.542 42.059 -0.228 0.000 1.236 189 L HN 0.516 nan 8.230 nan 0.000 0.419 190 D N 2.272 122.626 120.400 -0.075 0.000 2.471 190 D HA 0.477 5.118 4.640 0.002 0.000 0.245 190 D C 0.153 176.440 176.300 -0.021 0.000 1.116 190 D CA -0.377 53.631 54.000 0.012 0.000 0.853 190 D CB 2.239 43.069 40.800 0.051 0.000 1.123 190 D HN 0.563 nan 8.370 nan 0.000 0.540 191 A N 3.672 126.470 122.820 -0.036 0.000 2.348 191 A HA 0.179 4.500 4.320 0.002 0.000 0.224 191 A C 0.737 178.237 177.584 -0.140 0.000 1.227 191 A CA -0.153 51.778 52.037 -0.177 0.000 0.885 191 A CB -0.685 18.086 19.000 -0.382 0.000 0.933 191 A HN 0.761 nan 8.150 nan 0.000 0.506 192 N N 0.433 119.124 118.700 -0.015 0.000 2.714 192 N HA -0.255 4.486 4.740 0.002 0.000 0.252 192 N C -0.150 175.355 175.510 -0.008 0.000 1.014 192 N CA 0.873 53.931 53.050 0.013 0.000 0.735 192 N CB -1.432 37.051 38.487 -0.006 0.000 0.924 192 N HN 0.684 nan 8.380 nan 0.000 0.540 193 Q N -2.993 116.815 119.800 0.014 0.000 2.480 193 Q HA -0.316 4.025 4.340 0.002 0.000 0.265 193 Q C 1.044 177.017 176.000 -0.045 0.000 1.072 193 Q CA 0.917 56.733 55.803 0.023 0.000 1.018 193 Q CB -1.770 27.021 28.738 0.088 0.000 1.433 193 Q HN 0.603 nan 8.270 nan 0.000 0.513 194 S N -1.060 114.537 115.700 -0.173 0.000 2.453 194 S HA -0.039 4.432 4.470 0.002 0.000 0.231 194 S C 0.399 174.980 174.600 -0.032 0.000 1.005 194 S CA 0.525 58.616 58.200 -0.181 0.000 0.949 194 S CB 0.191 63.173 63.200 -0.363 0.000 0.774 194 S HN 0.396 nan 8.310 nan 0.000 0.510 195 Y N 2.088 122.420 120.300 0.053 0.000 2.519 195 Y HA 0.504 5.055 4.550 0.002 0.000 0.324 195 Y C 0.440 176.341 175.900 0.002 0.000 1.214 195 Y CA -2.303 55.827 58.100 0.050 0.000 1.260 195 Y CB 0.425 38.937 38.460 0.087 0.000 1.311 195 Y HN 0.297 nan 8.280 nan 0.000 0.505 196 D N -0.829 119.683 120.400 0.188 0.000 2.569 196 D HA 0.500 5.141 4.640 0.002 0.000 0.266 196 D C 0.663 176.983 176.300 0.033 0.000 1.164 196 D CA -0.415 53.621 54.000 0.060 0.000 1.071 196 D CB 0.572 41.388 40.800 0.025 0.000 1.183 196 D HN 0.485 nan 8.370 nan 0.000 0.613 197 A N -0.210 122.598 122.820 -0.019 0.000 1.930 197 A HA 0.134 4.455 4.320 0.002 0.000 0.217 197 A C 2.125 179.721 177.584 0.019 0.000 1.175 197 A CA 2.180 54.206 52.037 -0.019 0.000 0.627 197 A CB -1.335 17.629 19.000 -0.060 0.000 0.815 197 A HN 0.666 nan 8.150 nan 0.000 0.443 198 A N 0.099 122.911 122.820 -0.014 0.000 1.883 198 A HA 0.094 4.416 4.320 0.002 0.000 0.217 198 A C 2.525 180.079 177.584 -0.050 0.000 1.186 198 A CA 2.317 54.347 52.037 -0.012 0.000 0.624 198 A CB -1.093 17.880 19.000 -0.045 0.000 0.822 198 A HN 1.064 nan 8.150 nan 0.000 0.444 199 A N -0.317 122.431 122.820 -0.121 0.000 1.902 199 A HA 0.181 4.503 4.320 0.002 0.000 0.217 199 A C 2.522 179.824 177.584 -0.470 0.000 1.181 199 A CA 2.118 53.963 52.037 -0.319 0.000 0.623 199 A CB -1.052 17.784 19.000 -0.272 0.000 0.818 199 A HN 1.096 nan 8.150 nan 0.000 0.443 200 A N -1.249 121.412 122.820 -0.264 0.000 1.902 200 A HA -0.100 4.222 4.320 0.002 0.000 0.217 200 A C 2.003 179.679 177.584 0.153 0.000 1.181 200 A CA 1.622 53.649 52.037 -0.016 0.000 0.623 200 A CB -0.782 18.334 19.000 0.192 0.000 0.818 200 A HN 0.628 nan 8.150 nan 0.000 0.443 201 F N 0.950 120.884 119.950 -0.026 0.000 2.307 201 F HA -0.149 4.379 4.527 0.002 0.000 0.301 201 F C 1.965 177.710 175.800 -0.091 0.000 1.076 201 F CA 1.723 59.718 58.000 -0.008 0.000 1.383 201 F CB -0.132 38.840 39.000 -0.047 0.000 1.055 201 F HN 0.186 nan 8.300 nan 0.000 0.526 202 K N -1.347 118.850 120.400 -0.339 0.000 2.280 202 K HA -0.212 4.109 4.320 0.002 0.000 0.202 202 K C 1.577 177.829 176.600 -0.581 0.000 1.047 202 K CA 1.523 57.403 56.287 -0.677 0.000 0.942 202 K CB -0.467 31.242 32.500 -1.319 0.000 0.739 202 K HN 0.379 nan 8.250 nan 0.000 0.457 203 W N 1.310 122.382 121.300 -0.380 0.000 2.678 203 W HA -0.052 4.610 4.660 0.002 0.000 0.256 203 W C 2.025 178.083 176.519 -0.770 0.000 1.280 203 W CA 0.386 57.436 57.345 -0.491 0.000 1.345 203 W CB 0.005 29.021 29.460 -0.739 0.000 1.118 203 W HN 0.135 nan 8.180 nan 0.000 0.629 204 E N 1.780 121.709 120.200 -0.452 0.000 2.160 204 E HA -0.256 4.096 4.350 0.002 0.000 0.195 204 E C 2.105 178.533 176.600 -0.286 0.000 0.991 204 E CA 1.815 58.020 56.400 -0.325 0.000 0.810 204 E CB -0.199 29.019 29.700 -0.803 0.000 0.742 204 E HN 0.415 nan 8.360 nan 0.000 0.466 205 R N -1.254 119.006 120.500 -0.399 0.000 2.235 205 R HA -0.102 4.240 4.340 0.002 0.000 0.213 205 R C 1.330 177.261 176.300 -0.616 0.000 1.059 205 R CA 1.389 57.230 56.100 -0.431 0.000 0.997 205 R CB -0.479 29.553 30.300 -0.447 0.000 0.884 205 R HN 0.259 nan 8.270 nan 0.000 0.462 206 Y N -0.880 119.085 120.300 -0.558 0.000 2.479 206 Y HA 0.169 4.721 4.550 0.002 0.000 0.283 206 Y C 1.475 177.005 175.900 -0.616 0.000 1.109 206 Y CA -0.039 57.489 58.100 -0.955 0.000 1.239 206 Y CB 0.099 37.555 38.460 -1.674 0.000 1.108 206 Y HN -0.117 nan 8.280 nan 0.000 0.548 207 F N -0.042 119.862 119.950 -0.075 0.000 2.202 207 F HA -0.217 4.312 4.527 0.002 0.000 0.301 207 F C 2.396 178.205 175.800 0.015 0.000 1.082 207 F CA 0.998 59.047 58.000 0.082 0.000 1.313 207 F CB -1.263 37.809 39.000 0.119 0.000 1.024 207 F HN -0.081 nan 8.300 nan 0.000 0.495 208 S N -0.576 115.178 115.700 0.090 0.000 2.399 208 S HA -0.164 4.307 4.470 0.002 0.000 0.231 208 S C 1.868 176.475 174.600 0.011 0.000 1.022 208 S CA 1.424 59.637 58.200 0.022 0.000 0.983 208 S CB -0.058 63.098 63.200 -0.074 0.000 0.803 208 S HN 0.305 nan 8.310 nan 0.000 0.480 209 E N -0.448 119.720 120.200 -0.053 0.000 2.110 209 E HA 0.110 4.462 4.350 0.002 0.000 0.193 209 E C -0.096 176.589 176.600 0.142 0.000 0.950 209 E CA 0.055 56.434 56.400 -0.034 0.000 0.840 209 E CB -0.054 29.533 29.700 -0.188 0.000 0.809 209 E HN 0.339 nan 8.360 nan 0.000 0.465 210 W N 1.988 123.374 121.300 0.144 0.000 2.257 210 W HA 0.046 4.707 4.660 0.002 0.000 0.337 210 W C 1.112 177.696 176.519 0.107 0.000 1.321 210 W CA 0.776 58.202 57.345 0.136 0.000 1.267 210 W CB -0.250 29.325 29.460 0.192 0.000 1.187 210 W HN 0.100 nan 8.180 nan 0.000 0.565 211 T N -1.662 113.062 114.554 0.284 0.000 3.085 211 T HA -0.048 4.303 4.350 0.002 0.000 0.264 211 T C 0.593 175.359 174.700 0.109 0.000 1.019 211 T CA -0.072 62.127 62.100 0.165 0.000 0.910 211 T CB -0.196 68.743 68.868 0.118 0.000 1.059 211 T HN 0.393 nan 8.240 nan 0.000 0.542 212 N N 1.097 119.855 118.700 0.096 0.000 2.238 212 N HA 0.135 4.877 4.740 0.002 0.000 0.235 212 N C -0.306 175.179 175.510 -0.041 0.000 1.209 212 N CA -0.527 52.526 53.050 0.006 0.000 0.879 212 N CB 0.113 38.575 38.487 -0.043 0.000 1.136 212 N HN 0.303 nan 8.380 nan 0.000 0.517 213 I N 1.359 121.937 120.570 0.013 0.000 2.337 213 I HA 0.248 4.419 4.170 0.002 0.000 0.291 213 I C 1.725 177.775 176.117 -0.110 0.000 1.046 213 I CA -0.240 61.023 61.300 -0.062 0.000 1.324 213 I CB 0.523 38.537 38.000 0.024 0.000 1.409 213 I HN 0.105 nan 8.210 nan 0.000 0.494 214 G N 7.081 115.752 108.800 -0.215 0.000 2.453 214 G HA2 -0.094 3.867 3.960 0.002 0.000 0.215 214 G HA3 -0.094 3.867 3.960 0.002 0.000 0.215 214 G C 0.040 174.948 174.900 0.014 0.000 1.201 214 G CA 0.607 45.595 45.100 -0.185 0.000 0.784 214 G HN 0.757 nan 8.290 nan 0.000 0.545 215 W N -2.743 118.455 121.300 -0.170 0.000 2.989 215 W HA 0.657 5.319 4.660 0.003 0.000 0.344 215 W C -1.897 174.527 176.519 -0.158 0.000 1.233 215 W CA -1.693 55.549 57.345 -0.170 0.000 1.187 215 W CB 0.568 29.950 29.460 -0.129 0.000 1.443 215 W HN 0.113 nan 8.180 nan 0.000 0.573 216 L N 2.665 123.990 121.223 0.170 0.000 2.257 216 L HA 0.471 4.812 4.340 0.002 0.000 0.290 216 L C -0.079 177.001 176.870 0.350 0.000 1.044 216 L CA -0.365 54.580 54.840 0.175 0.000 0.810 216 L CB 0.973 43.118 42.059 0.143 0.000 1.193 216 L HN 0.589 nan 8.230 nan 0.000 0.425 217 E N 4.256 124.663 120.200 0.345 0.000 2.174 217 E HA 0.183 4.534 4.350 0.002 0.000 0.282 217 E C -0.514 176.257 176.600 0.284 0.000 0.992 217 E CA -0.371 56.262 56.400 0.389 0.000 0.803 217 E CB 0.581 30.556 29.700 0.458 0.000 1.090 217 E HN 0.668 nan 8.360 nan 0.000 0.396 218 E N 3.634 124.038 120.200 0.341 0.000 2.103 218 E HA -0.193 4.158 4.350 0.002 0.000 0.186 218 E C -1.765 174.970 176.600 0.226 0.000 1.392 218 E CA 0.011 56.634 56.400 0.371 0.000 0.691 218 E CB -0.472 29.451 29.700 0.371 0.000 1.068 218 E HN 0.556 nan 8.360 nan 0.000 0.328 219 P HA -0.135 nan 4.420 nan 0.000 0.218 219 P C 0.565 177.885 177.300 0.034 0.000 1.149 219 P CA 1.384 64.558 63.100 0.123 0.000 0.817 219 P CB 0.249 32.047 31.700 0.164 0.000 0.785 220 L N -2.156 119.004 121.223 -0.105 0.000 2.309 220 L HA 0.568 4.910 4.340 0.002 0.000 0.261 220 L C -2.721 174.130 176.870 -0.032 0.000 1.021 220 L CA -3.203 51.546 54.840 -0.152 0.000 0.823 220 L CB 1.305 43.107 42.059 -0.429 0.000 1.366 220 L HN -0.414 nan 8.230 nan 0.000 0.423 221 P HA 0.090 nan 4.420 nan 0.000 0.271 221 P C -0.306 177.023 177.300 0.048 0.000 1.244 221 P CA 0.097 63.248 63.100 0.086 0.000 0.793 221 P CB 0.397 32.136 31.700 0.064 0.000 0.984 222 F N -0.770 119.261 119.950 0.135 0.000 2.678 222 F HA 0.057 4.586 4.527 0.002 0.000 0.305 222 F C 1.644 177.478 175.800 0.057 0.000 1.090 222 F CA 0.425 58.484 58.000 0.098 0.000 1.272 222 F CB -0.078 38.900 39.000 -0.038 0.000 1.060 222 F HN 0.206 nan 8.300 nan 0.000 0.576 223 D N -0.033 120.458 120.400 0.151 0.000 2.182 223 D HA -0.134 4.507 4.640 0.002 0.000 0.201 223 D C 0.785 177.129 176.300 0.073 0.000 0.986 223 D CA 1.213 55.267 54.000 0.090 0.000 0.847 223 D CB 0.019 40.854 40.800 0.057 0.000 0.942 223 D HN 0.265 nan 8.370 nan 0.000 0.467 224 Q N 0.315 120.157 119.800 0.070 0.000 2.644 224 Q HA 0.174 4.515 4.340 0.002 0.000 0.245 224 Q C -1.846 174.209 176.000 0.091 0.000 1.064 224 Q CA -1.589 54.248 55.803 0.057 0.000 0.860 224 Q CB 1.801 30.555 28.738 0.025 0.000 1.145 224 Q HN 0.095 nan 8.270 nan 0.000 0.515 225 P HA -0.170 nan 4.420 nan 0.000 0.218 225 P C 1.076 178.449 177.300 0.121 0.000 1.146 225 P CA 1.163 64.341 63.100 0.130 0.000 0.813 225 P CB 0.559 32.312 31.700 0.088 0.000 0.778 226 Q N -0.584 119.260 119.800 0.073 0.000 2.378 226 Q HA -0.080 4.262 4.340 0.002 0.000 0.205 226 Q C 1.446 177.468 176.000 0.037 0.000 0.954 226 Q CA 0.984 56.818 55.803 0.052 0.000 0.901 226 Q CB -0.516 28.240 28.738 0.031 0.000 0.981 226 Q HN 0.333 nan 8.270 nan 0.000 0.483 227 D N -0.557 119.859 120.400 0.026 0.000 2.117 227 D HA -0.128 4.513 4.640 0.002 0.000 0.198 227 D C 1.665 177.918 176.300 -0.078 0.000 0.982 227 D CA 0.880 54.858 54.000 -0.036 0.000 0.828 227 D CB -0.240 40.517 40.800 -0.071 0.000 0.967 227 D HN 0.271 nan 8.370 nan 0.000 0.464 228 Y N 1.468 121.725 120.300 -0.071 0.000 2.145 228 Y HA -0.201 4.351 4.550 0.002 0.000 0.286 228 Y C 2.516 178.406 175.900 -0.016 0.000 1.145 228 Y CA 1.484 59.545 58.100 -0.066 0.000 1.148 228 Y CB -0.368 38.030 38.460 -0.103 0.000 0.981 228 Y HN -0.068 nan 8.280 nan 0.000 0.507 229 A N -0.115 122.797 122.820 0.154 0.000 1.883 229 A HA -0.276 4.045 4.320 0.002 0.000 0.217 229 A C 2.343 179.961 177.584 0.057 0.000 1.186 229 A CA 1.959 54.053 52.037 0.096 0.000 0.624 229 A CB -0.887 18.156 19.000 0.071 0.000 0.822 229 A HN 0.549 nan 8.150 nan 0.000 0.444 230 M N -1.105 118.512 119.600 0.029 0.000 2.065 230 M HA -0.171 4.311 4.480 0.002 0.000 0.259 230 M C 2.157 178.456 176.300 -0.001 0.000 1.069 230 M CA 2.255 57.554 55.300 -0.002 0.000 1.110 230 M CB -0.262 32.323 32.600 -0.026 0.000 1.328 230 M HN 0.416 nan 8.290 nan 0.000 0.405 231 L N 0.569 121.786 121.223 -0.009 0.000 2.046 231 L HA -0.215 4.126 4.340 0.002 0.000 0.208 231 L C 2.578 179.498 176.870 0.084 0.000 1.077 231 L CA 1.936 56.788 54.840 0.021 0.000 0.747 231 L CB -0.781 41.250 42.059 -0.047 0.000 0.896 231 L HN 0.330 nan 8.230 nan 0.000 0.432 232 R N -0.662 119.887 120.500 0.082 0.000 2.105 232 R HA -0.165 4.177 4.340 0.002 0.000 0.239 232 R C 2.253 178.606 176.300 0.089 0.000 1.135 232 R CA 1.684 57.844 56.100 0.099 0.000 0.967 232 R CB -0.338 30.025 30.300 0.105 0.000 0.861 232 R HN 0.669 nan 8.270 nan 0.000 0.442 233 S N -0.206 115.537 115.700 0.072 0.000 2.481 233 S HA -0.024 4.448 4.470 0.002 0.000 0.231 233 S C 1.626 176.274 174.600 0.080 0.000 0.996 233 S CA 0.422 58.660 58.200 0.063 0.000 0.942 233 S CB -0.058 63.166 63.200 0.040 0.000 0.768 233 S HN 0.404 nan 8.310 nan 0.000 0.520 234 R N 0.009 120.575 120.500 0.109 0.000 2.290 234 R HA 0.413 4.754 4.340 0.002 0.000 0.197 234 R C -0.003 176.491 176.300 0.324 0.000 0.913 234 R CA 0.004 56.213 56.100 0.181 0.000 1.040 234 R CB -0.004 30.355 30.300 0.099 0.000 0.992 234 R HN 0.378 nan 8.270 nan 0.000 0.500 235 L N 0.409 121.783 121.223 0.251 0.000 2.360 235 L HA 0.205 4.546 4.340 0.002 0.000 0.271 235 L C 0.827 177.788 176.870 0.152 0.000 1.057 235 L CA -0.244 54.748 54.840 0.252 0.000 0.803 235 L CB 2.023 44.214 42.059 0.220 0.000 1.207 235 L HN -0.035 nan 8.230 nan 0.000 0.445 236 S N 0.490 116.276 115.700 0.142 0.000 2.631 236 S HA 0.109 4.580 4.470 0.002 0.000 0.217 236 S C 0.068 174.661 174.600 -0.011 0.000 0.958 236 S CA -0.368 57.882 58.200 0.084 0.000 0.920 236 S CB -0.278 62.992 63.200 0.118 0.000 0.776 236 S HN 0.438 nan 8.310 nan 0.000 0.517 237 V N -1.388 118.446 119.914 -0.134 0.000 2.864 237 V HA 0.701 4.822 4.120 0.002 0.000 0.314 237 V C -3.095 172.939 176.094 -0.100 0.000 1.073 237 V CA -2.982 59.190 62.300 -0.214 0.000 0.956 237 V CB 1.369 32.840 31.823 -0.586 0.000 1.023 237 V HN -0.161 nan 8.190 nan 0.000 0.435 238 P HA 0.340 nan 4.420 nan 0.000 0.272 238 P C -0.755 176.575 177.300 0.049 0.000 1.230 238 P CA -0.135 62.970 63.100 0.007 0.000 0.788 238 P CB 0.869 32.570 31.700 0.001 0.000 0.949 239 V N 0.916 120.852 119.914 0.038 0.000 2.495 239 V HA 0.663 4.784 4.120 0.002 0.000 0.298 239 V C 0.303 176.391 176.094 -0.010 0.000 1.031 239 V CA -0.591 61.766 62.300 0.094 0.000 0.871 239 V CB 1.246 33.169 31.823 0.167 0.000 0.988 239 V HN 0.800 nan 8.190 nan 0.000 0.432 240 A N 3.163 125.959 122.820 -0.039 0.000 2.354 240 A HA 1.078 5.399 4.320 0.002 0.000 0.321 240 A C 0.141 177.749 177.584 0.040 0.000 1.125 240 A CA -0.004 51.883 52.037 -0.250 0.000 0.799 240 A CB 2.017 20.478 19.000 -0.899 0.000 1.293 240 A HN 1.545 nan 8.150 nan 0.000 0.452 241 G N -1.813 106.995 108.800 0.013 0.000 2.321 241 G HA2 0.585 4.546 3.960 0.002 0.000 0.296 241 G HA3 0.585 4.546 3.960 0.002 0.000 0.296 241 G C 0.282 175.158 174.900 -0.038 0.000 1.287 241 G CA 0.710 45.887 45.100 0.127 0.000 0.846 241 G HN 2.371 nan 8.290 nan 0.000 0.508 242 G N -0.779 107.855 108.800 -0.276 0.000 2.145 242 G HA2 -0.095 3.866 3.960 0.002 0.000 0.176 242 G HA3 -0.095 3.866 3.960 0.002 0.000 0.176 242 G C 0.849 175.606 174.900 -0.239 0.000 1.013 242 G CA 1.301 46.140 45.100 -0.435 0.000 0.689 242 G HN 1.529 nan 8.290 nan 0.000 0.506 243 E N -0.115 119.940 120.200 -0.241 0.000 2.204 243 E HA -0.114 4.237 4.350 0.002 0.000 0.195 243 E C 1.452 178.052 176.600 -0.000 0.000 0.990 243 E CA 1.256 57.507 56.400 -0.249 0.000 0.821 243 E CB -0.305 28.972 29.700 -0.705 0.000 0.750 243 E HN 0.585 nan 8.360 nan 0.000 0.477 244 N N 0.047 118.691 118.700 -0.095 0.000 2.270 244 N HA 0.100 4.841 4.740 0.002 0.000 0.198 244 N C -0.260 175.150 175.510 -0.166 0.000 1.117 244 N CA -0.291 52.711 53.050 -0.080 0.000 0.845 244 N CB 0.290 38.694 38.487 -0.138 0.000 0.980 244 N HN 0.090 nan 8.380 nan 0.000 0.486 245 M N 0.540 119.978 119.600 -0.271 0.000 2.240 245 M HA 0.103 4.585 4.480 0.002 0.000 0.333 245 M C 1.025 177.205 176.300 -0.200 0.000 1.110 245 M CA 0.507 55.567 55.300 -0.400 0.000 1.173 245 M CB 0.658 32.718 32.600 -0.899 0.000 1.458 245 M HN -0.005 nan 8.290 nan 0.000 0.458 246 K N 0.436 120.730 120.400 -0.177 0.000 2.353 246 K HA 0.359 4.680 4.320 0.002 0.000 0.195 246 K C 0.745 177.334 176.600 -0.019 0.000 1.031 246 K CA 0.100 56.351 56.287 -0.059 0.000 1.079 246 K CB 0.755 33.217 32.500 -0.063 0.000 0.857 246 K HN 0.949 nan 8.250 nan 0.000 0.535 247 G N 0.451 109.219 108.800 -0.053 0.000 2.343 247 G HA2 -0.027 3.934 3.960 0.002 0.000 0.289 247 G HA3 -0.027 3.934 3.960 0.002 0.000 0.289 247 G C -2.783 172.155 174.900 0.064 0.000 1.295 247 G CA -0.930 44.194 45.100 0.041 0.000 0.869 247 G HN -0.332 nan 8.290 nan 0.000 0.522 248 P HA 0.020 nan 4.420 nan 0.000 0.218 248 P C 2.068 179.426 177.300 0.096 0.000 1.148 248 P CA 2.355 65.553 63.100 0.163 0.000 0.822 248 P CB 0.132 31.890 31.700 0.096 0.000 0.784 249 A N -0.285 122.555 122.820 0.033 0.000 2.019 249 A HA -0.239 4.082 4.320 0.002 0.000 0.219 249 A C 2.128 179.688 177.584 -0.039 0.000 1.164 249 A CA 1.406 53.448 52.037 0.008 0.000 0.644 249 A CB -1.052 17.947 19.000 -0.003 0.000 0.805 249 A HN 0.243 nan 8.150 nan 0.000 0.449 250 Q N -2.022 117.709 119.800 -0.114 0.000 2.245 250 Q HA -0.084 4.258 4.340 0.002 0.000 0.201 250 Q C 1.494 177.327 176.000 -0.279 0.000 0.955 250 Q CA 1.184 56.850 55.803 -0.229 0.000 0.870 250 Q CB -0.175 28.360 28.738 -0.338 0.000 0.945 250 Q HN 0.892 nan 8.270 nan 0.000 0.461 251 Y N -0.368 119.843 120.300 -0.149 0.000 2.420 251 Y HA -0.133 4.418 4.550 0.002 0.000 0.292 251 Y C 2.285 178.038 175.900 -0.245 0.000 1.119 251 Y CA 0.167 58.142 58.100 -0.209 0.000 1.229 251 Y CB 0.224 38.553 38.460 -0.219 0.000 1.026 251 Y HN -0.115 nan 8.280 nan 0.000 0.554 252 V N 1.663 121.569 119.914 -0.012 0.000 2.252 252 V HA -0.273 3.849 4.120 0.002 0.000 0.249 252 V C -0.407 175.626 176.094 -0.101 0.000 1.056 252 V CA 2.307 64.571 62.300 -0.060 0.000 1.022 252 V CB -1.693 30.182 31.823 0.087 0.000 0.641 252 V HN 0.303 nan 8.190 nan 0.000 0.445 253 P HA -0.104 nan 4.420 nan 0.000 0.219 253 P C 1.897 179.167 177.300 -0.050 0.000 1.150 253 P CA 1.349 64.435 63.100 -0.024 0.000 0.814 253 P CB -0.060 31.635 31.700 -0.009 0.000 0.787 254 L N -1.114 120.062 121.223 -0.077 0.000 2.046 254 L HA -0.144 4.198 4.340 0.002 0.000 0.208 254 L C 2.733 179.516 176.870 -0.145 0.000 1.077 254 L CA 1.357 56.154 54.840 -0.070 0.000 0.747 254 L CB -1.003 41.027 42.059 -0.049 0.000 0.896 254 L HN -0.089 nan 8.230 nan 0.000 0.432 255 L N -1.308 119.709 121.223 -0.343 0.000 2.072 255 L HA -0.110 4.231 4.340 0.002 0.000 0.205 255 L C 2.688 179.355 176.870 -0.339 0.000 1.079 255 L CA 0.781 55.250 54.840 -0.617 0.000 0.752 255 L CB -0.514 40.593 42.059 -1.586 0.000 0.906 255 L HN 0.151 nan 8.230 nan 0.000 0.436 256 S N -0.373 115.229 115.700 -0.162 0.000 2.399 256 S HA -0.214 4.258 4.470 0.002 0.000 0.231 256 S C 1.772 176.428 174.600 0.094 0.000 1.022 256 S CA 1.264 59.566 58.200 0.169 0.000 0.983 256 S CB -0.175 63.130 63.200 0.175 0.000 0.803 256 S HN 0.481 nan 8.310 nan 0.000 0.480 257 Q N -0.116 119.701 119.800 0.029 0.000 2.360 257 Q HA 0.265 4.607 4.340 0.002 0.000 0.202 257 Q C -0.280 175.745 176.000 0.041 0.000 0.915 257 Q CA -0.140 55.688 55.803 0.041 0.000 0.943 257 Q CB 0.260 29.020 28.738 0.036 0.000 1.064 257 Q HN 0.323 nan 8.270 nan 0.000 0.511 258 R N -1.440 119.076 120.500 0.026 0.000 3.532 258 R HA -0.196 4.146 4.340 0.002 0.000 0.284 258 R C 0.384 176.709 176.300 0.041 0.000 1.140 258 R CA 0.371 56.492 56.100 0.034 0.000 0.768 258 R CB -2.995 27.338 30.300 0.056 0.000 1.252 258 R HN 0.362 nan 8.270 nan 0.000 0.454 259 C N -0.049 119.269 119.300 0.030 0.000 2.464 259 C HA 0.142 4.604 4.460 0.002 0.000 0.278 259 C C 1.247 176.285 174.990 0.081 0.000 1.375 259 C CA 0.404 59.469 59.018 0.079 0.000 1.761 259 C CB -0.312 27.450 27.740 0.038 0.000 1.944 259 C HN 0.360 nan 8.230 nan 0.000 0.509 260 L N 0.271 121.498 121.223 0.007 0.000 2.409 260 L HA 0.335 4.677 4.340 0.002 0.000 0.262 260 L C -0.013 176.817 176.870 -0.068 0.000 0.992 260 L CA -0.329 54.500 54.840 -0.019 0.000 0.817 260 L CB 1.768 43.786 42.059 -0.067 0.000 1.350 260 L HN -0.002 nan 8.230 nan 0.000 0.411 261 D N 1.774 122.119 120.400 -0.092 0.000 2.271 261 D HA 0.231 4.872 4.640 0.002 0.000 0.206 261 D C 0.094 176.243 176.300 -0.252 0.000 0.967 261 D CA 1.306 55.220 54.000 -0.144 0.000 0.867 261 D CB 1.164 41.887 40.800 -0.128 0.000 0.960 261 D HN 0.259 nan 8.370 nan 0.000 0.509 262 I N 1.613 121.998 120.570 -0.308 0.000 2.586 262 I HA 0.210 4.381 4.170 0.002 0.000 0.288 262 I C -0.233 175.662 176.117 -0.370 0.000 1.147 262 I CA -0.818 60.222 61.300 -0.434 0.000 1.047 262 I CB 2.528 40.089 38.000 -0.731 0.000 1.244 262 I HN -0.180 nan 8.210 nan 0.000 0.429 263 I N 2.667 123.022 120.570 -0.358 0.000 2.577 263 I HA 0.519 4.690 4.170 0.002 0.000 0.300 263 I C -0.567 175.391 176.117 -0.265 0.000 0.990 263 I CA -0.219 60.880 61.300 -0.337 0.000 1.283 263 I CB 1.251 38.860 38.000 -0.651 0.000 1.411 263 I HN 0.640 nan 8.210 nan 0.000 0.515 264 Q N 4.652 124.386 119.800 -0.110 0.000 3.230 264 Q HA 0.385 4.726 4.340 0.002 0.000 0.303 264 Q C -2.553 173.515 176.000 0.113 0.000 0.884 264 Q CA -1.728 54.091 55.803 0.027 0.000 0.859 264 Q CB 1.179 30.014 28.738 0.162 0.000 1.432 264 Q HN 0.544 nan 8.270 nan 0.000 0.403 265 P HA 0.055 nan 4.420 nan 0.000 0.274 265 P C -0.682 176.862 177.300 0.407 0.000 1.237 265 P CA 0.001 63.235 63.100 0.224 0.000 0.793 265 P CB 1.193 32.913 31.700 0.034 0.000 0.977 266 D N 0.788 121.385 120.400 0.328 0.000 2.593 266 D HA 0.099 4.741 4.640 0.002 0.000 0.251 266 D C 1.341 177.681 176.300 0.067 0.000 1.140 266 D CA -0.822 53.245 54.000 0.113 0.000 0.855 266 D CB 1.938 42.534 40.800 -0.340 0.000 1.267 266 D HN -0.095 nan 8.370 nan 0.000 0.532 267 V N 4.171 123.914 119.914 -0.285 0.000 2.277 267 V HA -0.302 3.820 4.120 0.002 0.000 0.255 267 V C 2.304 178.339 176.094 -0.098 0.000 1.074 267 V CA 1.841 63.889 62.300 -0.420 0.000 1.058 267 V CB -0.434 31.055 31.823 -0.557 0.000 0.656 267 V HN 0.716 nan 8.190 nan 0.000 0.449 268 M N -1.563 117.992 119.600 -0.074 0.000 2.595 268 M HA 0.016 4.497 4.480 0.002 0.000 0.248 268 M C 1.578 178.030 176.300 0.253 0.000 1.119 268 M CA 1.075 56.413 55.300 0.062 0.000 1.079 268 M CB -0.253 32.387 32.600 0.066 0.000 1.472 268 M HN 0.547 nan 8.290 nan 0.000 0.501 269 H N -0.949 118.155 119.070 0.058 0.000 2.740 269 H HA 0.178 4.735 4.556 0.002 0.000 0.265 269 H C 0.694 176.049 175.328 0.045 0.000 0.978 269 H CA -0.483 55.593 56.048 0.046 0.000 1.198 269 H CB 0.806 30.586 29.762 0.029 0.000 1.467 269 H HN 0.183 nan 8.280 nan 0.000 0.511 270 V N -0.655 119.377 119.914 0.197 0.000 2.966 270 V HA 0.217 4.338 4.120 0.002 0.000 0.317 270 V C 0.452 176.609 176.094 0.104 0.000 1.070 270 V CA -1.225 61.166 62.300 0.151 0.000 1.008 270 V CB 1.596 33.555 31.823 0.225 0.000 1.070 270 V HN 0.166 nan 8.190 nan 0.000 0.457 271 N N 2.778 121.520 118.700 0.070 0.000 3.059 271 N HA 0.337 5.078 4.740 0.002 0.000 0.321 271 N C 0.670 176.205 175.510 0.042 0.000 1.224 271 N CA 1.281 54.353 53.050 0.037 0.000 1.197 271 N CB -0.447 38.048 38.487 0.013 0.000 1.453 271 N HN 1.451 nan 8.380 nan 0.000 0.544 272 G N 0.301 109.130 108.800 0.048 0.000 2.756 272 G HA2 -0.266 3.695 3.960 0.002 0.000 0.678 272 G HA3 -0.266 3.695 3.960 0.002 0.000 0.678 272 G C 0.559 175.504 174.900 0.075 0.000 1.349 272 G CA -0.499 44.624 45.100 0.038 0.000 0.847 272 G HN 0.303 nan 8.290 nan 0.000 0.548 273 I N 0.169 120.773 120.570 0.056 0.000 2.716 273 I HA 0.120 4.291 4.170 0.002 0.000 0.259 273 I C 2.058 178.243 176.117 0.114 0.000 1.172 273 I CA 1.791 63.155 61.300 0.106 0.000 1.478 273 I CB -0.199 37.854 38.000 0.089 0.000 1.104 273 I HN 0.539 nan 8.210 nan 0.000 0.439 274 D N 0.661 121.102 120.400 0.067 0.000 2.117 274 D HA -0.181 4.461 4.640 0.002 0.000 0.198 274 D C 1.902 178.213 176.300 0.017 0.000 0.982 274 D CA 1.217 55.220 54.000 0.005 0.000 0.828 274 D CB -0.136 40.679 40.800 0.025 0.000 0.967 274 D HN 0.493 nan 8.370 nan 0.000 0.464 275 E N 0.126 120.362 120.200 0.059 0.000 2.051 275 E HA -0.153 4.199 4.350 0.002 0.000 0.192 275 E C 2.028 178.681 176.600 0.088 0.000 0.991 275 E CA 0.309 56.748 56.400 0.065 0.000 0.799 275 E CB -0.284 29.457 29.700 0.069 0.000 0.748 275 E HN 0.194 nan 8.360 nan 0.000 0.449 276 F N 2.301 122.245 119.950 -0.010 0.000 2.043 276 F HA -0.286 4.242 4.527 0.002 0.000 0.297 276 F C 2.349 178.115 175.800 -0.056 0.000 1.118 276 F CA 1.883 59.876 58.000 -0.011 0.000 1.202 276 F CB -0.093 38.910 39.000 0.006 0.000 0.965 276 F HN -0.157 nan 8.300 nan 0.000 0.482 277 R N -0.145 120.355 120.500 -0.000 0.000 2.120 277 R HA -0.159 4.182 4.340 0.002 0.000 0.234 277 R C 1.789 177.974 176.300 -0.192 0.000 1.123 277 R CA 1.440 57.437 56.100 -0.170 0.000 0.975 277 R CB -0.588 29.534 30.300 -0.297 0.000 0.866 277 R HN 0.330 nan 8.270 nan 0.000 0.446 278 D N 0.109 120.438 120.400 -0.119 0.000 2.178 278 D HA -0.105 4.537 4.640 0.002 0.000 0.202 278 D C 1.819 178.057 176.300 -0.104 0.000 0.974 278 D CA 0.845 54.804 54.000 -0.069 0.000 0.841 278 D CB -0.221 40.574 40.800 -0.009 0.000 0.953 278 D HN 0.218 nan 8.370 nan 0.000 0.478 279 C N 0.322 119.513 119.300 -0.182 0.000 2.429 279 C HA -0.054 4.407 4.460 0.002 0.000 0.277 279 C C 2.819 177.581 174.990 -0.380 0.000 1.262 279 C CA 0.229 59.080 59.018 -0.278 0.000 1.733 279 C CB -1.049 26.489 27.740 -0.337 0.000 2.010 279 C HN 0.356 nan 8.230 nan 0.000 0.483 280 L N 0.217 121.184 121.223 -0.427 0.000 2.027 280 L HA -0.171 4.171 4.340 0.002 0.000 0.206 280 L C 2.861 179.562 176.870 -0.282 0.000 1.074 280 L CA 1.270 55.890 54.840 -0.367 0.000 0.745 280 L CB -0.978 40.876 42.059 -0.343 0.000 0.898 280 L HN 0.316 nan 8.230 nan 0.000 0.433 281 Q N 0.094 119.742 119.800 -0.254 0.000 2.084 281 Q HA -0.201 4.140 4.340 0.002 0.000 0.202 281 Q C 2.309 178.112 176.000 -0.328 0.000 0.978 281 Q CA 1.443 57.038 55.803 -0.346 0.000 0.844 281 Q CB -0.577 28.012 28.738 -0.249 0.000 0.898 281 Q HN 0.374 nan 8.270 nan 0.000 0.426 282 L N 0.800 121.979 121.223 -0.074 0.000 2.042 282 L HA -0.151 4.190 4.340 0.002 0.000 0.210 282 L C 2.172 179.110 176.870 0.113 0.000 1.076 282 L CA 2.141 57.060 54.840 0.133 0.000 0.749 282 L CB -0.813 41.300 42.059 0.090 0.000 0.893 282 L HN 0.149 nan 8.230 nan 0.000 0.432 283 A N -0.596 122.166 122.820 -0.097 0.000 1.883 283 A HA -0.209 4.113 4.320 0.002 0.000 0.217 283 A C 2.354 179.908 177.584 -0.049 0.000 1.186 283 A CA 1.632 53.602 52.037 -0.112 0.000 0.624 283 A CB -0.558 18.289 19.000 -0.254 0.000 0.822 283 A HN 0.437 nan 8.150 nan 0.000 0.444 284 R N -1.269 119.135 120.500 -0.160 0.000 2.091 284 R HA -0.161 4.180 4.340 0.002 0.000 0.238 284 R C 1.931 178.174 176.300 -0.094 0.000 1.136 284 R CA 1.705 57.700 56.100 -0.176 0.000 0.959 284 R CB -0.924 29.175 30.300 -0.335 0.000 0.856 284 R HN 0.703 nan 8.270 nan 0.000 0.437 285 Y N -0.737 119.579 120.300 0.026 0.000 2.293 285 Y HA -0.105 4.447 4.550 0.003 0.000 0.291 285 Y C 2.062 177.925 175.900 -0.061 0.000 1.137 285 Y CA 0.469 58.556 58.100 -0.022 0.000 1.202 285 Y CB -0.648 37.782 38.460 -0.050 0.000 0.990 285 Y HN -0.045 nan 8.280 nan 0.000 0.537 286 F N -0.631 119.371 119.950 0.086 0.000 2.710 286 F HA 0.222 4.750 4.527 0.001 0.000 0.298 286 F C 1.904 177.715 175.800 0.017 0.000 1.137 286 F CA 0.992 59.015 58.000 0.038 0.000 1.444 286 F CB -0.073 38.927 39.000 0.000 0.000 1.111 286 F HN 0.124 nan 8.300 nan 0.000 0.580 287 G N 1.051 109.948 108.800 0.162 0.000 2.160 287 G HA2 -0.186 3.775 3.960 0.002 0.000 0.244 287 G HA3 -0.186 3.775 3.960 0.002 0.000 0.244 287 G C -0.069 174.872 174.900 0.068 0.000 1.022 287 G CA 0.174 45.337 45.100 0.106 0.000 0.741 287 G HN 0.537 nan 8.290 nan 0.000 0.508 288 V N -3.701 116.228 119.914 0.026 0.000 3.019 288 V HA 0.898 5.019 4.120 0.002 0.000 0.317 288 V C 0.634 176.624 176.094 -0.175 0.000 1.094 288 V CA -1.718 60.532 62.300 -0.083 0.000 1.000 288 V CB 1.513 33.270 31.823 -0.111 0.000 1.060 288 V HN 0.355 nan 8.190 nan 0.000 0.443 289 R N 0.916 121.237 120.500 -0.298 0.000 2.543 289 R HA 0.797 5.138 4.340 0.002 0.000 0.268 289 R C -0.354 175.741 176.300 -0.343 0.000 1.067 289 R CA -0.016 55.853 56.100 -0.385 0.000 1.142 289 R CB 1.512 31.457 30.300 -0.592 0.000 1.110 289 R HN 1.108 nan 8.270 nan 0.000 0.549 290 A N 0.663 123.302 122.820 -0.301 0.000 2.385 290 A HA 0.383 4.704 4.320 0.002 0.000 0.290 290 A C -1.022 176.453 177.584 -0.181 0.000 1.094 290 A CA -0.452 51.420 52.037 -0.274 0.000 0.729 290 A CB 1.745 20.580 19.000 -0.275 0.000 1.194 290 A HN 0.479 nan 8.150 nan 0.000 0.442 291 S N 2.351 117.959 115.700 -0.154 0.000 2.774 291 S HA 0.614 5.085 4.470 0.002 0.000 0.297 291 S C 0.163 174.832 174.600 0.115 0.000 1.143 291 S CA 0.116 58.327 58.200 0.018 0.000 1.090 291 S CB 0.553 63.780 63.200 0.045 0.000 1.019 291 S HN 1.967 nan 8.310 nan 0.000 0.482 292 A N 4.800 127.725 122.820 0.176 0.000 2.565 292 A HA 0.210 4.531 4.320 0.002 0.000 0.237 292 A C 0.246 177.980 177.584 0.250 0.000 1.053 292 A CA 0.307 52.517 52.037 0.289 0.000 0.755 292 A CB -0.046 19.210 19.000 0.426 0.000 0.980 292 A HN 0.933 nan 8.150 nan 0.000 0.506 293 H N 1.204 120.367 119.070 0.157 0.000 2.467 293 H HA 0.556 5.113 4.556 0.002 0.000 0.331 293 H C -0.041 175.296 175.328 0.014 0.000 1.120 293 H CA 0.593 56.707 56.048 0.110 0.000 1.270 293 H CB 1.577 31.396 29.762 0.095 0.000 1.466 293 H HN 0.754 nan 8.280 nan 0.000 0.504 294 A N 5.413 128.185 122.820 -0.080 0.000 3.367 294 A HA -0.005 4.317 4.320 0.002 0.000 0.208 294 A C 0.234 177.744 177.584 -0.123 0.000 1.043 294 A CA -0.549 51.427 52.037 -0.103 0.000 1.079 294 A CB -0.927 17.959 19.000 -0.190 0.000 1.314 294 A HN 0.836 nan 8.150 nan 0.000 0.668 295 Y N 1.178 121.417 120.300 -0.101 0.000 2.030 295 Y HA -0.161 4.390 4.550 0.002 0.000 0.274 295 Y C 0.633 176.483 175.900 -0.083 0.000 1.153 295 Y CA 2.254 60.307 58.100 -0.078 0.000 1.115 295 Y CB 0.126 38.614 38.460 0.046 0.000 0.969 295 Y HN 0.442 nan 8.280 nan 0.000 0.488 296 D N -0.196 120.073 120.400 -0.218 0.000 2.340 296 D HA 0.457 5.099 4.640 0.002 0.000 0.251 296 D C -0.276 175.905 176.300 -0.199 0.000 1.080 296 D CA 1.083 54.923 54.000 -0.268 0.000 0.971 296 D CB 1.334 42.087 40.800 -0.078 0.000 1.137 296 D HN 0.567 nan 8.370 nan 0.000 0.475 297 G N -0.874 107.808 108.800 -0.197 0.000 2.931 297 G HA2 0.153 4.114 3.960 0.002 0.000 0.675 297 G HA3 0.153 4.114 3.960 0.002 0.000 0.675 297 G C -0.141 174.603 174.900 -0.260 0.000 1.339 297 G CA 0.211 45.193 45.100 -0.197 0.000 0.866 297 G HN 0.446 nan 8.290 nan 0.000 0.616 298 S N 0.945 116.523 115.700 -0.203 0.000 4.193 298 S HA 0.161 4.632 4.470 0.002 0.000 0.211 298 S C 1.901 176.406 174.600 -0.160 0.000 1.162 298 S CA 1.320 59.386 58.200 -0.223 0.000 1.039 298 S CB -0.668 62.433 63.200 -0.165 0.000 1.371 298 S HN 1.574 nan 8.310 nan 0.000 0.550 299 L N 3.137 124.304 121.223 -0.093 0.000 2.017 299 L HA 0.089 4.430 4.340 0.002 0.000 0.208 299 L C 2.470 179.394 176.870 0.089 0.000 1.073 299 L CA 3.062 57.898 54.840 -0.006 0.000 0.745 299 L CB -1.104 40.988 42.059 0.055 0.000 0.894 299 L HN 0.625 nan 8.230 nan 0.000 0.432 300 S N -0.548 115.176 115.700 0.039 0.000 2.383 300 S HA -0.303 4.168 4.470 0.002 0.000 0.229 300 S C 2.242 176.808 174.600 -0.058 0.000 1.030 300 S CA 1.306 59.518 58.200 0.020 0.000 1.002 300 S CB -0.798 62.363 63.200 -0.064 0.000 0.829 300 S HN 0.587 nan 8.310 nan 0.000 0.467 301 R N 0.386 120.800 120.500 -0.143 0.000 2.120 301 R HA -0.019 4.322 4.340 0.002 0.000 0.234 301 R C 2.333 178.525 176.300 -0.179 0.000 1.123 301 R CA 1.289 57.272 56.100 -0.196 0.000 0.975 301 R CB -0.455 29.639 30.300 -0.343 0.000 0.866 301 R HN 0.484 nan 8.270 nan 0.000 0.446 302 L N 0.053 121.143 121.223 -0.222 0.000 2.056 302 L HA -0.140 4.202 4.340 0.002 0.000 0.207 302 L C 1.580 178.053 176.870 -0.661 0.000 1.078 302 L CA 1.726 56.283 54.840 -0.472 0.000 0.749 302 L CB -0.674 41.071 42.059 -0.524 0.000 0.901 302 L HN 0.156 nan 8.230 nan 0.000 0.433 303 Y N -0.149 119.999 120.300 -0.253 0.000 2.207 303 Y HA -0.237 4.314 4.550 0.003 0.000 0.287 303 Y C 2.570 178.509 175.900 0.066 0.000 1.156 303 Y CA 1.665 59.781 58.100 0.027 0.000 1.182 303 Y CB -0.931 37.587 38.460 0.096 0.000 0.979 303 Y HN 0.331 nan 8.280 nan 0.000 0.521 304 A N -0.049 122.786 122.820 0.026 0.000 1.908 304 A HA -0.180 4.141 4.320 0.002 0.000 0.218 304 A C 2.250 179.954 177.584 0.199 0.000 1.181 304 A CA 1.666 53.753 52.037 0.083 0.000 0.627 304 A CB -1.078 17.920 19.000 -0.003 0.000 0.818 304 A HN 0.485 nan 8.150 nan 0.000 0.445 305 L N -1.833 119.419 121.223 0.049 0.000 2.046 305 L HA -0.161 4.180 4.340 0.002 0.000 0.208 305 L C 2.484 179.481 176.870 0.211 0.000 1.077 305 L CA 1.149 56.031 54.840 0.070 0.000 0.747 305 L CB -0.504 41.514 42.059 -0.068 0.000 0.896 305 L HN 0.356 nan 8.230 nan 0.000 0.432 306 F N 0.043 120.107 119.950 0.189 0.000 2.134 306 F HA -0.175 4.353 4.527 0.002 0.000 0.299 306 F C 2.624 178.715 175.800 0.486 0.000 1.097 306 F CA 0.813 58.955 58.000 0.237 0.000 1.264 306 F CB -1.390 37.675 39.000 0.108 0.000 1.001 306 F HN 0.022 nan 8.300 nan 0.000 0.479 307 A N -0.488 122.808 122.820 0.793 0.000 1.892 307 A HA -0.296 4.025 4.320 0.002 0.000 0.218 307 A C 2.159 179.965 177.584 0.370 0.000 1.188 307 A CA 2.024 54.394 52.037 0.556 0.000 0.631 307 A CB -0.955 18.371 19.000 0.545 0.000 0.822 307 A HN 0.349 nan 8.150 nan 0.000 0.447 308 Q N -0.561 119.440 119.800 0.335 0.000 2.124 308 Q HA -0.014 4.327 4.340 0.002 0.000 0.202 308 Q C 2.096 178.239 176.000 0.238 0.000 0.977 308 Q CA 1.870 57.816 55.803 0.237 0.000 0.850 308 Q CB -0.586 28.276 28.738 0.208 0.000 0.901 308 Q HN 0.619 nan 8.270 nan 0.000 0.429 309 A N -1.303 121.689 122.820 0.287 0.000 2.015 309 A HA -0.133 4.188 4.320 0.002 0.000 0.219 309 A C 1.906 179.691 177.584 0.336 0.000 1.163 309 A CA 1.338 53.542 52.037 0.279 0.000 0.646 309 A CB -0.493 18.676 19.000 0.283 0.000 0.806 309 A HN 0.513 nan 8.150 nan 0.000 0.448 310 C N -0.737 118.789 119.300 0.377 0.000 2.754 310 C HA 0.445 4.906 4.460 0.002 0.000 0.276 310 C C 0.434 175.688 174.990 0.440 0.000 1.264 310 C CA -0.679 58.595 59.018 0.427 0.000 1.700 310 C CB -1.911 26.078 27.740 0.416 0.000 1.885 310 C HN 0.506 nan 8.230 nan 0.000 0.607 311 L N 3.465 124.844 121.223 0.259 0.000 2.292 311 L HA 0.509 4.850 4.340 0.002 0.000 0.284 311 L C -2.173 174.531 176.870 -0.277 0.000 1.065 311 L CA -2.030 52.840 54.840 0.050 0.000 0.806 311 L CB 0.567 42.642 42.059 0.028 0.000 1.175 311 L HN -0.073 nan 8.230 nan 0.000 0.431 312 P HA 0.211 nan 4.420 nan 0.000 0.272 312 P C -2.764 174.295 177.300 -0.401 0.000 1.240 312 P CA -1.312 61.244 63.100 -0.908 0.000 0.791 312 P CB -0.527 30.835 31.700 -0.564 0.000 0.978 313 P HA -0.053 nan 4.420 nan 0.000 0.269 313 P C 0.922 178.189 177.300 -0.055 0.000 1.215 313 P CA 0.035 63.048 63.100 -0.145 0.000 0.780 313 P CB 0.359 31.879 31.700 -0.301 0.000 0.898 314 W N 2.185 123.469 121.300 -0.026 0.000 2.737 314 W HA 0.083 4.745 4.660 0.002 0.000 0.262 314 W C -0.242 176.274 176.519 -0.005 0.000 1.282 314 W CA 0.227 57.553 57.345 -0.032 0.000 1.386 314 W CB -0.802 28.641 29.460 -0.028 0.000 1.099 314 W HN 0.357 nan 8.180 nan 0.000 0.621 315 S N 0.689 115.949 115.700 -0.734 0.000 2.740 315 S HA 0.450 4.921 4.470 0.002 0.000 0.300 315 S C 0.091 174.452 174.600 -0.398 0.000 1.147 315 S CA -0.882 56.902 58.200 -0.694 0.000 0.871 315 S CB 2.292 64.665 63.200 -1.378 0.000 1.173 315 S HN 0.055 nan 8.310 nan 0.000 0.510 316 K N -0.024 120.213 120.400 -0.272 0.000 2.372 316 K HA 0.315 4.637 4.320 0.002 0.000 0.200 316 K C -0.246 176.269 176.600 -0.141 0.000 1.022 316 K CA 0.027 56.206 56.287 -0.180 0.000 1.125 316 K CB -0.132 32.301 32.500 -0.112 0.000 0.855 316 K HN 0.491 nan 8.250 nan 0.000 0.524 317 M N 2.548 122.043 119.600 -0.176 0.000 2.292 317 M HA 0.025 4.506 4.480 0.002 0.000 0.342 317 M C 1.272 177.597 176.300 0.042 0.000 1.538 317 M CA 0.190 55.434 55.300 -0.092 0.000 1.163 317 M CB 0.585 33.106 32.600 -0.131 0.000 1.823 317 M HN 0.112 nan 8.290 nan 0.000 0.462 318 K N 2.185 122.616 120.400 0.052 0.000 2.218 318 K HA -0.201 4.121 4.320 0.002 0.000 0.205 318 K C 0.601 177.302 176.600 0.169 0.000 1.046 318 K CA 2.048 58.409 56.287 0.123 0.000 0.933 318 K CB -0.222 32.304 32.500 0.043 0.000 0.728 318 K HN 0.722 nan 8.250 nan 0.000 0.454 319 N N -0.221 118.496 118.700 0.028 0.000 2.197 319 N HA 0.037 4.778 4.740 0.002 0.000 0.228 319 N C -1.047 174.362 175.510 -0.168 0.000 1.212 319 N CA -0.295 52.707 53.050 -0.080 0.000 0.883 319 N CB 0.728 39.196 38.487 -0.032 0.000 1.107 319 N HN 0.161 nan 8.380 nan 0.000 0.519 320 D N 0.415 120.702 120.400 -0.189 0.000 2.586 320 D HA 0.096 4.738 4.640 0.002 0.000 0.254 320 D C -0.258 175.877 176.300 -0.275 0.000 1.248 320 D CA -0.413 53.503 54.000 -0.140 0.000 0.843 320 D CB -0.187 40.624 40.800 0.018 0.000 1.332 320 D HN 0.443 nan 8.370 nan 0.000 0.523 321 H N 1.267 120.202 119.070 -0.226 0.000 3.367 321 H HA 0.306 4.863 4.556 0.002 0.000 0.257 321 H C -0.614 174.594 175.328 -0.199 0.000 1.201 321 H CA -0.429 55.269 56.048 -0.583 0.000 1.102 321 H CB 0.598 30.096 29.762 -0.440 0.000 1.656 321 H HN 0.161 nan 8.280 nan 0.000 0.662 322 I N 2.487 123.106 120.570 0.082 0.000 2.533 322 I HA 0.262 4.433 4.170 0.002 0.000 0.290 322 I C -0.865 175.445 176.117 0.322 0.000 1.056 322 I CA -0.647 60.827 61.300 0.290 0.000 1.057 322 I CB 2.458 40.565 38.000 0.177 0.000 1.240 322 I HN 0.045 nan 8.210 nan 0.000 0.423 323 E N 8.246 128.635 120.200 0.314 0.000 2.398 323 E HA 0.253 4.605 4.350 0.002 0.000 0.263 323 E C -2.280 174.446 176.600 0.210 0.000 1.046 323 E CA -0.958 55.561 56.400 0.199 0.000 0.908 323 E CB -0.028 29.703 29.700 0.051 0.000 0.963 323 E HN 0.373 nan 8.360 nan 0.000 0.431 324 P HA 0.219 nan 4.420 nan 0.000 0.276 324 P C -0.525 176.969 177.300 0.322 0.000 1.261 324 P CA -0.193 63.087 63.100 0.298 0.000 0.800 324 P CB 0.909 32.855 31.700 0.409 0.000 1.066 325 I N -0.303 120.382 120.570 0.193 0.000 2.693 325 I HA 0.246 4.417 4.170 0.002 0.000 0.303 325 I C 0.785 176.725 176.117 -0.294 0.000 1.025 325 I CA -1.124 60.227 61.300 0.085 0.000 1.086 325 I CB 1.868 39.942 38.000 0.123 0.000 1.268 325 I HN 0.369 nan 8.210 nan 0.000 0.440 326 E N 5.272 125.227 120.200 -0.409 0.000 2.351 326 E HA -0.057 4.294 4.350 0.002 0.000 0.266 326 E C -1.380 174.987 176.600 -0.388 0.000 1.031 326 E CA -0.077 55.858 56.400 -0.776 0.000 0.911 326 E CB 0.691 30.144 29.700 -0.412 0.000 0.986 326 E HN 0.394 nan 8.360 nan 0.000 0.446 327 W N 6.106 127.070 121.300 -0.559 0.000 2.338 327 W HA 0.155 4.816 4.660 0.002 0.000 0.315 327 W C -0.735 175.565 176.519 -0.365 0.000 1.005 327 W CA -0.987 56.164 57.345 -0.323 0.000 1.380 327 W CB 0.889 30.256 29.460 -0.155 0.000 1.235 327 W HN 0.583 nan 8.180 nan 0.000 0.409 328 D N 3.175 123.314 120.400 -0.435 0.000 2.472 328 D HA -0.010 4.632 4.640 0.002 0.000 0.248 328 D C 0.915 177.030 176.300 -0.309 0.000 1.174 328 D CA 0.517 54.296 54.000 -0.367 0.000 0.883 328 D CB 1.221 41.778 40.800 -0.405 0.000 1.149 328 D HN 0.209 nan 8.370 nan 0.000 0.488 329 V N 1.697 121.380 119.914 -0.384 0.000 3.271 329 V HA 0.294 4.416 4.120 0.002 0.000 0.327 329 V C 0.305 176.233 176.094 -0.278 0.000 1.389 329 V CA -0.510 61.602 62.300 -0.313 0.000 1.156 329 V CB -0.344 31.186 31.823 -0.488 0.000 1.103 329 V HN 0.349 nan 8.190 nan 0.000 0.453 330 M N 1.095 120.504 119.600 -0.318 0.000 2.291 330 M HA 0.368 4.849 4.480 0.002 0.000 0.324 330 M C 0.470 176.684 176.300 -0.143 0.000 1.148 330 M CA -0.589 54.502 55.300 -0.348 0.000 1.104 330 M CB 0.361 32.455 32.600 -0.844 0.000 1.483 330 M HN 0.490 nan 8.290 nan 0.000 0.467 331 E N 2.504 122.719 120.200 0.025 0.000 3.072 331 E HA -0.166 4.186 4.350 0.002 0.000 0.241 331 E C -0.929 175.720 176.600 0.081 0.000 0.962 331 E CA 0.571 57.042 56.400 0.118 0.000 0.955 331 E CB -0.011 29.850 29.700 0.268 0.000 0.899 331 E HN 0.498 nan 8.360 nan 0.000 0.547 332 N N 5.992 124.629 118.700 -0.105 0.000 2.599 332 N HA 0.163 4.905 4.740 0.002 0.000 0.283 332 N C -2.285 172.955 175.510 -0.449 0.000 1.160 332 N CA -1.634 51.267 53.050 -0.248 0.000 0.869 332 N CB 1.623 39.998 38.487 -0.187 0.000 1.448 332 N HN 0.172 nan 8.380 nan 0.000 0.535 333 P HA -0.071 nan 4.420 nan 0.000 0.218 333 P C 0.949 177.833 177.300 -0.694 0.000 1.148 333 P CA 0.972 63.519 63.100 -0.921 0.000 0.822 333 P CB 0.026 30.684 31.700 -1.736 0.000 0.784 334 F N -0.062 119.641 119.950 -0.412 0.000 2.771 334 F HA 0.002 4.530 4.527 0.003 0.000 0.299 334 F C 2.509 178.162 175.800 -0.245 0.000 1.177 334 F CA 0.698 58.517 58.000 -0.302 0.000 1.450 334 F CB -1.873 36.971 39.000 -0.260 0.000 1.114 334 F HN -0.027 nan 8.300 nan 0.000 0.587 335 T N -0.831 113.651 114.554 -0.120 0.000 2.915 335 T HA -0.121 4.230 4.350 0.002 0.000 0.269 335 T C 1.234 175.894 174.700 -0.068 0.000 1.071 335 T CA 1.353 63.374 62.100 -0.132 0.000 1.132 335 T CB -0.260 68.527 68.868 -0.135 0.000 0.878 335 T HN 0.162 nan 8.240 nan 0.000 0.479 336 D N 0.760 121.123 120.400 -0.062 0.000 2.395 336 D HA 0.184 4.826 4.640 0.002 0.000 0.226 336 D C 1.646 177.919 176.300 -0.046 0.000 1.146 336 D CA -0.071 53.908 54.000 -0.035 0.000 0.830 336 D CB 0.264 41.044 40.800 -0.032 0.000 0.958 336 D HN 0.396 nan 8.370 nan 0.000 0.501 337 L N 0.001 121.193 121.223 -0.052 0.000 2.131 337 L HA -0.058 4.284 4.340 0.002 0.000 0.210 337 L C 0.817 177.609 176.870 -0.129 0.000 1.092 337 L CA 0.920 55.709 54.840 -0.085 0.000 0.759 337 L CB 0.281 42.285 42.059 -0.092 0.000 0.903 337 L HN -0.132 nan 8.230 nan 0.000 0.435 338 V N -0.731 119.123 119.914 -0.101 0.000 2.448 338 V HA 0.178 4.299 4.120 0.002 0.000 0.295 338 V C 0.038 176.109 176.094 -0.038 0.000 1.025 338 V CA -0.494 61.752 62.300 -0.091 0.000 0.859 338 V CB 1.876 33.638 31.823 -0.101 0.000 0.988 338 V HN -0.022 nan 8.190 nan 0.000 0.431 339 S N 6.205 121.884 115.700 -0.035 0.000 3.072 339 S HA 0.485 4.956 4.470 0.002 0.000 0.306 339 S C -0.540 174.067 174.600 0.011 0.000 1.207 339 S CA -0.052 58.142 58.200 -0.011 0.000 1.008 339 S CB -0.598 62.587 63.200 -0.024 0.000 1.390 339 S HN 0.449 nan 8.310 nan 0.000 0.523 340 L N 3.752 125.010 121.223 0.059 0.000 2.676 340 L HA 0.430 4.771 4.340 0.002 0.000 0.262 340 L C -1.576 175.393 176.870 0.165 0.000 0.932 340 L CA -0.082 54.806 54.840 0.079 0.000 0.932 340 L CB 1.622 43.731 42.059 0.083 0.000 1.355 340 L HN 0.302 nan 8.230 nan 0.000 0.421 341 Q N 4.712 124.504 119.800 -0.013 0.000 2.451 341 Q HA 0.661 5.002 4.340 0.002 0.000 0.281 341 Q C -2.620 173.112 176.000 -0.445 0.000 1.099 341 Q CA -1.801 53.881 55.803 -0.202 0.000 0.806 341 Q CB 2.073 30.768 28.738 -0.072 0.000 1.419 341 Q HN 0.418 nan 8.270 nan 0.000 0.427 342 P HA 0.093 nan 4.420 nan 0.000 0.271 342 P C -0.780 176.251 177.300 -0.449 0.000 1.218 342 P CA -0.077 62.639 63.100 -0.641 0.000 0.780 342 P CB 0.557 31.731 31.700 -0.877 0.000 0.901 343 S N 0.848 116.364 115.700 -0.307 0.000 2.449 343 S HA 0.408 4.880 4.470 0.002 0.000 0.310 343 S C -0.069 174.365 174.600 -0.276 0.000 1.096 343 S CA -0.942 57.101 58.200 -0.261 0.000 1.095 343 S CB 1.197 64.304 63.200 -0.155 0.000 1.007 343 S HN 0.327 nan 8.310 nan 0.000 0.474 344 K N 1.464 121.667 120.400 -0.330 0.000 3.012 344 K HA -0.207 4.115 4.320 0.002 0.000 0.259 344 K C 1.088 177.496 176.600 -0.320 0.000 0.989 344 K CA 0.940 57.057 56.287 -0.284 0.000 0.728 344 K CB -1.724 30.687 32.500 -0.148 0.000 1.260 344 K HN 1.628 nan 8.250 nan 0.000 0.480 345 G N -1.688 106.775 108.800 -0.562 0.000 2.176 345 G HA2 -0.289 3.672 3.960 0.002 0.000 0.253 345 G HA3 -0.289 3.672 3.960 0.002 0.000 0.253 345 G C -0.060 174.693 174.900 -0.245 0.000 0.979 345 G CA 0.418 45.271 45.100 -0.413 0.000 0.641 345 G HN 0.162 nan 8.290 nan 0.000 0.530 346 M N 0.633 120.079 119.600 -0.256 0.000 2.383 346 M HA 0.628 5.109 4.480 0.002 0.000 0.325 346 M C -0.124 176.031 176.300 -0.241 0.000 1.092 346 M CA -0.968 54.204 55.300 -0.214 0.000 0.961 346 M CB 1.873 34.346 32.600 -0.212 0.000 1.672 346 M HN -0.067 nan 8.290 nan 0.000 0.438 347 V N 3.351 123.122 119.914 -0.239 0.000 2.398 347 V HA 0.304 4.425 4.120 0.002 0.000 0.286 347 V C -0.010 175.981 176.094 -0.172 0.000 1.026 347 V CA -0.662 61.522 62.300 -0.193 0.000 0.868 347 V CB 1.069 32.785 31.823 -0.179 0.000 0.982 347 V HN 0.646 nan 8.190 nan 0.000 0.443 348 H N 5.147 124.168 119.070 -0.081 0.000 2.705 348 H HA 0.316 4.874 4.556 0.002 0.000 0.291 348 H C -0.234 175.097 175.328 0.004 0.000 1.085 348 H CA -0.797 55.234 56.048 -0.029 0.000 1.357 348 H CB 1.259 30.998 29.762 -0.038 0.000 1.419 348 H HN 0.366 nan 8.280 nan 0.000 0.462 349 I N 5.914 126.552 120.570 0.114 0.000 2.598 349 I HA 0.004 4.175 4.170 0.002 0.000 0.284 349 I C -1.833 174.386 176.117 0.171 0.000 1.140 349 I CA -2.367 59.028 61.300 0.159 0.000 1.420 349 I CB -0.200 37.922 38.000 0.204 0.000 1.387 349 I HN 0.304 nan 8.210 nan 0.000 0.553 350 P HA 0.129 nan 4.420 nan 0.000 0.267 350 P C 0.131 177.498 177.300 0.112 0.000 1.209 350 P CA -0.016 63.171 63.100 0.146 0.000 0.763 350 P CB 0.455 32.256 31.700 0.167 0.000 0.816 351 K N 1.504 121.925 120.400 0.036 0.000 2.358 351 K HA 0.173 4.494 4.320 0.002 0.000 0.197 351 K C 1.304 177.869 176.600 -0.058 0.000 1.025 351 K CA -0.183 56.091 56.287 -0.022 0.000 1.104 351 K CB 0.413 32.908 32.500 -0.008 0.000 0.855 351 K HN 0.549 nan 8.250 nan 0.000 0.531 352 G N 1.456 110.233 108.800 -0.039 0.000 2.651 352 G HA2 0.057 4.019 3.960 0.002 0.000 0.260 352 G HA3 0.057 4.019 3.960 0.002 0.000 0.260 352 G C -0.475 174.377 174.900 -0.080 0.000 1.216 352 G CA -0.490 44.583 45.100 -0.046 0.000 0.913 352 G HN 0.069 nan 8.290 nan 0.000 0.535 353 K N -0.150 120.211 120.400 -0.065 0.000 2.336 353 K HA 0.385 4.706 4.320 0.002 0.000 0.262 353 K C 1.434 177.990 176.600 -0.074 0.000 0.992 353 K CA 0.870 57.112 56.287 -0.076 0.000 0.927 353 K CB 0.353 32.823 32.500 -0.049 0.000 0.956 353 K HN 0.929 nan 8.250 nan 0.000 0.495 354 G N 2.032 110.778 108.800 -0.090 0.000 2.660 354 G HA2 -0.358 3.603 3.960 0.002 0.000 0.321 354 G HA3 -0.358 3.603 3.960 0.002 0.000 0.321 354 G C 0.798 175.610 174.900 -0.147 0.000 1.246 354 G CA 0.759 45.812 45.100 -0.079 0.000 1.000 354 G HN 0.807 nan 8.290 nan 0.000 0.550 355 I N -0.587 119.960 120.570 -0.038 0.000 3.883 355 I HA 0.528 4.700 4.170 0.002 0.000 0.326 355 I C 1.727 177.912 176.117 0.113 0.000 1.283 355 I CA 0.911 62.242 61.300 0.052 0.000 1.161 355 I CB -0.108 37.962 38.000 0.116 0.000 1.012 355 I HN 2.028 nan 8.210 nan 0.000 0.421 356 G N 1.432 110.242 108.800 0.017 0.000 2.225 356 G HA2 -0.278 3.683 3.960 0.002 0.000 0.267 356 G HA3 -0.278 3.683 3.960 0.002 0.000 0.267 356 G C 0.167 175.086 174.900 0.031 0.000 1.024 356 G CA 0.733 45.844 45.100 0.018 0.000 0.784 356 G HN 0.683 nan 8.290 nan 0.000 0.507 357 T N -1.375 113.193 114.554 0.023 0.000 2.693 357 T HA 0.526 4.877 4.350 0.002 0.000 0.304 357 T C -1.967 172.716 174.700 -0.028 0.000 1.471 357 T CA -0.409 61.689 62.100 -0.004 0.000 0.993 357 T CB 1.476 70.340 68.868 -0.007 0.000 1.554 357 T HN 0.131 nan 8.240 nan 0.000 0.496 358 E N 1.766 121.928 120.200 -0.064 0.000 2.222 358 E HA 0.399 4.750 4.350 0.002 0.000 0.267 358 E C -0.367 176.112 176.600 -0.201 0.000 0.884 358 E CA -0.815 55.520 56.400 -0.108 0.000 0.764 358 E CB 1.523 31.175 29.700 -0.080 0.000 1.169 358 E HN 0.496 nan 8.360 nan 0.000 0.413 359 I N 2.506 122.853 120.570 -0.371 0.000 2.668 359 I HA -0.081 4.091 4.170 0.002 0.000 0.285 359 I C 0.900 176.803 176.117 -0.357 0.000 1.168 359 I CA -0.095 60.895 61.300 -0.516 0.000 1.424 359 I CB -0.668 36.675 38.000 -1.094 0.000 1.377 359 I HN 0.334 nan 8.210 nan 0.000 0.560 360 N N 7.512 126.058 118.700 -0.256 0.000 2.406 360 N HA 0.035 4.776 4.740 0.002 0.000 0.269 360 N C 0.772 176.183 175.510 -0.165 0.000 1.210 360 N CA -0.113 52.840 53.050 -0.162 0.000 0.966 360 N CB 0.626 39.055 38.487 -0.097 0.000 1.293 360 N HN 0.378 nan 8.380 nan 0.000 0.491 361 M N 1.754 121.260 119.600 -0.156 0.000 2.394 361 M HA -0.030 4.452 4.480 0.002 0.000 0.264 361 M C 1.328 177.591 176.300 -0.062 0.000 1.073 361 M CA 0.746 55.959 55.300 -0.143 0.000 1.111 361 M CB -0.368 32.162 32.600 -0.116 0.000 1.401 361 M HN 0.562 nan 8.290 nan 0.000 0.448 362 E N 0.689 120.868 120.200 -0.035 0.000 2.038 362 E HA -0.194 4.157 4.350 0.002 0.000 0.195 362 E C 2.052 178.674 176.600 0.037 0.000 1.000 362 E CA 1.161 57.558 56.400 -0.004 0.000 0.803 362 E CB -0.075 29.623 29.700 -0.002 0.000 0.750 362 E HN 0.399 nan 8.360 nan 0.000 0.448 363 I N 1.108 121.719 120.570 0.070 0.000 2.194 363 I HA -0.246 3.925 4.170 0.002 0.000 0.246 363 I C 2.556 178.834 176.117 0.269 0.000 1.093 363 I CA 1.100 62.529 61.300 0.215 0.000 1.355 363 I CB -0.912 37.176 38.000 0.146 0.000 1.046 363 I HN 0.019 nan 8.210 nan 0.000 0.413 364 V N 1.556 121.521 119.914 0.086 0.000 2.295 364 V HA -0.303 3.818 4.120 0.002 0.000 0.246 364 V C 2.106 178.282 176.094 0.136 0.000 1.049 364 V CA 2.365 64.698 62.300 0.055 0.000 1.024 364 V CB -1.003 30.706 31.823 -0.189 0.000 0.648 364 V HN 0.487 nan 8.190 nan 0.000 0.447 365 N N -0.226 118.520 118.700 0.077 0.000 2.106 365 N HA -0.195 4.546 4.740 0.002 0.000 0.188 365 N C 2.065 177.603 175.510 0.046 0.000 1.029 365 N CA 1.185 54.280 53.050 0.074 0.000 0.848 365 N CB -0.259 38.250 38.487 0.036 0.000 1.007 365 N HN 0.360 nan 8.380 nan 0.000 0.423 366 R N 0.403 120.886 120.500 -0.028 0.000 2.105 366 R HA -0.142 4.200 4.340 0.002 0.000 0.239 366 R C 0.613 176.723 176.300 -0.316 0.000 1.135 366 R CA 1.462 57.410 56.100 -0.253 0.000 0.967 366 R CB -0.077 29.935 30.300 -0.481 0.000 0.861 366 R HN 0.370 nan 8.270 nan 0.000 0.442 367 Y N 0.479 120.895 120.300 0.192 0.000 2.555 367 Y HA 0.225 4.776 4.550 0.002 0.000 0.259 367 Y C 0.043 176.150 175.900 0.345 0.000 1.179 367 Y CA -0.492 57.795 58.100 0.310 0.000 1.230 367 Y CB 0.109 38.833 38.460 0.441 0.000 1.146 367 Y HN -0.077 nan 8.280 nan 0.000 0.526 368 K N 1.114 121.706 120.400 0.320 0.000 2.548 368 K HA -0.186 4.135 4.320 0.002 0.000 0.277 368 K C -0.357 176.435 176.600 0.321 0.000 1.001 368 K CA 0.023 56.476 56.287 0.276 0.000 1.102 368 K CB 0.283 32.881 32.500 0.163 0.000 0.848 368 K HN 0.354 nan 8.250 nan 0.000 0.487 369 W N 5.808 127.176 121.300 0.113 0.000 2.272 369 W HA 0.110 4.771 4.660 0.002 0.000 0.318 369 W C 0.391 176.889 176.519 -0.036 0.000 1.255 369 W CA -0.654 56.732 57.345 0.069 0.000 1.200 369 W CB 0.729 30.216 29.460 0.045 0.000 1.170 369 W HN 0.766 nan 8.180 nan 0.000 0.549 370 D N 2.531 122.563 120.400 -0.614 0.000 2.340 370 D HA 0.126 4.767 4.640 0.002 0.000 0.220 370 D C 1.605 177.301 176.300 -1.008 0.000 1.039 370 D CA 0.571 54.197 54.000 -0.622 0.000 0.866 370 D CB -0.136 40.449 40.800 -0.360 0.000 0.913 370 D HN 0.790 nan 8.370 nan 0.000 0.523 371 G N -0.004 107.506 108.800 -2.151 0.000 2.199 371 G HA2 -0.272 3.689 3.960 0.002 0.000 0.254 371 G HA3 -0.272 3.689 3.960 0.002 0.000 0.254 371 G C 0.362 174.578 174.900 -1.139 0.000 0.982 371 G CA 0.433 44.330 45.100 -2.006 0.000 0.632 371 G HN 0.899 nan 8.290 nan 0.000 0.529 372 S N -0.053 115.210 115.700 -0.730 0.000 2.578 372 S HA 0.820 5.291 4.470 0.002 0.000 0.283 372 S C 0.231 174.909 174.600 0.130 0.000 1.195 372 S CA 0.378 58.457 58.200 -0.202 0.000 1.050 372 S CB 2.186 65.274 63.200 -0.187 0.000 1.012 372 S HN 1.847 nan 8.310 nan 0.000 0.511 373 A N 2.768 125.702 122.820 0.190 0.000 2.354 373 A HA 0.426 4.748 4.320 0.002 0.000 0.281 373 A C -0.171 177.533 177.584 0.201 0.000 1.174 373 A CA -0.629 51.570 52.037 0.271 0.000 0.828 373 A CB -0.384 18.836 19.000 0.368 0.000 1.099 373 A HN 0.891 nan 8.150 nan 0.000 0.516 374 Y N 2.458 122.795 120.300 0.062 0.000 2.554 374 Y HA 0.131 4.682 4.550 0.002 0.000 0.353 374 Y C 1.085 177.125 175.900 0.234 0.000 1.269 374 Y CA 1.669 59.849 58.100 0.133 0.000 1.494 374 Y CB 0.260 38.829 38.460 0.181 0.000 1.365 374 Y HN 1.044 nan 8.280 nan 0.000 0.664 375 E N 0.000 120.485 120.200 0.475 0.000 2.725 375 E HA 0.000 4.351 4.350 0.002 0.000 0.291 375 E CA 0.000 56.604 56.400 0.340 0.000 0.976 375 E CB 0.000 29.939 29.700 0.398 0.000 0.812 375 E HN 0.000 nan 8.360 nan 0.000 0.440