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 2o78_1_G DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.165 nan 4.420 nan 0.000 0.269 9 P C -1.495 175.814 177.300 0.014 0.000 1.211 9 P CA -0.359 62.752 63.100 0.018 0.000 0.781 9 P CB 0.788 32.501 31.700 0.022 0.000 0.877 10 A N 1.560 124.387 122.820 0.011 0.000 2.371 10 A HA 0.542 4.862 4.320 -0.000 0.000 0.311 10 A C -0.945 176.642 177.584 0.004 0.000 1.068 10 A CA -0.603 51.438 52.037 0.006 0.000 0.744 10 A CB 1.207 20.210 19.000 0.005 0.000 1.239 10 A HN 0.325 nan 8.150 nan 0.000 0.435 11 V N 2.517 122.431 119.914 -0.001 0.000 2.350 11 V HA 0.271 4.391 4.120 -0.000 0.000 0.276 11 V C 0.331 176.421 176.094 -0.006 0.000 1.028 11 V CA -0.308 61.990 62.300 -0.003 0.000 0.860 11 V CB 1.133 32.950 31.823 -0.011 0.000 0.990 11 V HN 0.954 nan 8.190 nan 0.000 0.453 12 E N 4.614 124.813 120.200 -0.002 0.000 2.130 12 E HA 0.347 4.697 4.350 -0.000 0.000 0.284 12 E C -0.897 175.701 176.600 -0.003 0.000 1.018 12 E CA -0.786 55.612 56.400 -0.002 0.000 0.817 12 E CB 1.213 30.915 29.700 0.003 0.000 1.078 12 E HN 0.559 nan 8.360 nan 0.000 0.396 13 L N 5.404 126.621 121.223 -0.009 0.000 2.265 13 L HA 0.279 4.619 4.340 -0.000 0.000 0.288 13 L C -0.204 176.664 176.870 -0.004 0.000 1.058 13 L CA 0.484 55.317 54.840 -0.012 0.000 0.809 13 L CB 1.216 43.262 42.059 -0.022 0.000 1.179 13 L HN 0.731 nan 8.230 nan 0.000 0.429 14 D N 2.920 123.322 120.400 0.005 0.000 3.013 14 D HA 0.200 4.840 4.640 -0.000 0.000 0.235 14 D C 1.331 177.640 176.300 0.015 0.000 1.540 14 D CA 0.763 54.770 54.000 0.011 0.000 1.303 14 D CB 0.702 41.513 40.800 0.019 0.000 0.980 14 D HN 0.577 nan 8.370 nan 0.000 0.250 15 R N -1.804 118.717 120.500 0.034 0.000 2.243 15 R HA 0.207 4.547 4.340 -0.000 0.000 0.193 15 R C 0.133 176.478 176.300 0.075 0.000 0.933 15 R CA -0.153 55.975 56.100 0.045 0.000 1.105 15 R CB 0.531 30.861 30.300 0.050 0.000 1.169 15 R HN 0.222 nan 8.270 nan 0.000 0.599 16 H N 0.175 119.238 119.070 -0.012 0.000 2.495 16 H HA 0.538 5.094 4.556 -0.000 0.000 0.348 16 H C -1.406 173.916 175.328 -0.010 0.000 1.113 16 H CA -0.649 55.391 56.048 -0.013 0.000 1.195 16 H CB 1.386 31.140 29.762 -0.012 0.000 1.521 16 H HN 0.008 nan 8.280 nan 0.000 0.509 17 I N 4.536 124.760 120.570 -0.578 0.000 2.569 17 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 17 I C -1.140 174.687 176.117 -0.483 0.000 1.088 17 I CA -0.868 60.225 61.300 -0.346 0.000 1.047 17 I CB 1.367 39.255 38.000 -0.187 0.000 1.237 17 I HN 0.837 nan 8.210 nan 0.000 0.421 18 D N 6.190 126.465 120.400 -0.208 0.000 2.383 18 D HA 0.186 4.826 4.640 -0.000 0.000 0.248 18 D C 1.039 177.306 176.300 -0.055 0.000 1.170 18 D CA -0.527 53.418 54.000 -0.092 0.000 0.977 18 D CB 0.961 41.790 40.800 0.048 0.000 1.120 18 D HN 0.511 nan 8.370 nan 0.000 0.481 19 L N -0.367 120.850 121.223 -0.009 0.000 2.079 19 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 19 L C 1.551 178.456 176.870 0.058 0.000 1.081 19 L CA 1.437 56.291 54.840 0.023 0.000 0.752 19 L CB -0.485 41.601 42.059 0.045 0.000 0.896 19 L HN 0.457 nan 8.230 nan 0.000 0.433 20 D N -0.232 120.203 120.400 0.058 0.000 2.117 20 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 20 D C 2.333 178.673 176.300 0.066 0.000 0.982 20 D CA 1.079 55.128 54.000 0.082 0.000 0.828 20 D CB -0.096 40.745 40.800 0.068 0.000 0.967 20 D HN 0.420 nan 8.370 nan 0.000 0.464 21 Q N 0.364 120.182 119.800 0.031 0.000 2.084 21 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 21 Q C 2.232 178.229 176.000 -0.004 0.000 0.978 21 Q CA 1.316 57.126 55.803 0.011 0.000 0.844 21 Q CB -0.095 28.638 28.738 -0.009 0.000 0.898 21 Q HN 0.198 nan 8.270 nan 0.000 0.426 22 A N 0.903 123.716 122.820 -0.012 0.000 1.902 22 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 22 A C 1.961 179.526 177.584 -0.031 0.000 1.181 22 A CA 1.620 53.638 52.037 -0.031 0.000 0.623 22 A CB -0.823 18.157 19.000 -0.033 0.000 0.818 22 A HN 0.440 nan 8.150 nan 0.000 0.443 23 H N -0.049 118.970 119.070 -0.085 0.000 2.423 23 H HA 0.027 4.583 4.556 -0.000 0.000 0.297 23 H C 2.264 177.511 175.328 -0.136 0.000 1.075 23 H CA 1.424 57.384 56.048 -0.146 0.000 1.342 23 H CB -0.154 29.439 29.762 -0.283 0.000 1.395 23 H HN 0.412 nan 8.280 nan 0.000 0.530 24 A N 0.478 123.304 122.820 0.009 0.000 1.908 24 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 24 A C 2.839 180.390 177.584 -0.056 0.000 1.181 24 A CA 1.730 53.770 52.037 0.006 0.000 0.627 24 A CB -0.891 18.129 19.000 0.035 0.000 0.818 24 A HN 0.287 nan 8.150 nan 0.000 0.445 25 V N -0.284 119.586 119.914 -0.074 0.000 2.307 25 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 25 V C 3.066 179.066 176.094 -0.156 0.000 1.045 25 V CA 1.836 64.083 62.300 -0.088 0.000 1.024 25 V CB -1.260 30.516 31.823 -0.079 0.000 0.651 25 V HN 0.611 nan 8.190 nan 0.000 0.449 26 A N 0.824 123.511 122.820 -0.222 0.000 1.940 26 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 26 A C 2.388 179.751 177.584 -0.369 0.000 1.176 26 A CA 2.309 54.156 52.037 -0.316 0.000 0.631 26 A CB -0.686 18.127 19.000 -0.312 0.000 0.814 26 A HN 0.701 nan 8.150 nan 0.000 0.446 27 S N -2.072 113.437 115.700 -0.319 0.000 2.603 27 S HA 0.377 4.847 4.470 -0.000 0.000 0.220 27 S C 1.393 176.124 174.600 0.217 0.000 0.967 27 S CA 1.031 59.198 58.200 -0.054 0.000 0.920 27 S CB -0.275 62.819 63.200 -0.177 0.000 0.773 27 S HN 1.948 nan 8.310 nan 0.000 0.529 28 G N 0.385 109.239 108.800 0.090 0.000 2.159 28 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.256 28 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.256 28 G C 0.866 175.834 174.900 0.112 0.000 0.977 28 G CA 0.112 45.321 45.100 0.182 0.000 0.652 28 G HN 0.967 nan 8.290 nan 0.000 0.531 29 G N -0.362 108.481 108.800 0.072 0.000 2.572 29 G HA2 0.552 4.512 3.960 -0.000 0.000 0.216 29 G HA3 0.552 4.512 3.960 -0.000 0.000 0.216 29 G C 0.660 175.586 174.900 0.043 0.000 1.133 29 G CA 1.808 46.946 45.100 0.063 0.000 0.791 29 G HN 1.832 nan 8.290 nan 0.000 0.538 30 A N -0.515 122.321 122.820 0.027 0.000 2.539 30 A HA 0.796 5.116 4.320 -0.000 0.000 0.296 30 A C -0.286 177.302 177.584 0.006 0.000 1.073 30 A CA -0.847 51.200 52.037 0.017 0.000 0.700 30 A CB 1.522 20.529 19.000 0.011 0.000 1.296 30 A HN 0.201 nan 8.150 nan 0.000 0.405 31 R N -0.054 120.450 120.500 0.006 0.000 2.543 31 R HA 0.668 5.008 4.340 -0.000 0.000 0.268 31 R C -0.814 175.481 176.300 -0.009 0.000 1.067 31 R CA -0.423 55.677 56.100 0.000 0.000 1.142 31 R CB 1.312 31.614 30.300 0.004 0.000 1.110 31 R HN 0.675 nan 8.270 nan 0.000 0.549 32 I N 0.958 121.519 120.570 -0.014 0.000 2.545 32 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 32 I C -1.327 174.781 176.117 -0.015 0.000 1.040 32 I CA -0.893 60.396 61.300 -0.019 0.000 1.068 32 I CB 1.840 39.822 38.000 -0.030 0.000 1.251 32 I HN 0.205 nan 8.210 nan 0.000 0.424 33 V N 7.268 127.175 119.914 -0.012 0.000 2.735 33 V HA 0.410 4.530 4.120 -0.000 0.000 0.310 33 V C -0.649 175.439 176.094 -0.011 0.000 1.061 33 V CA -0.784 61.510 62.300 -0.010 0.000 0.913 33 V CB 1.926 33.745 31.823 -0.006 0.000 1.005 33 V HN 0.517 nan 8.190 nan 0.000 0.428 34 L N 3.831 125.048 121.223 -0.011 0.000 2.265 34 L HA 0.735 5.075 4.340 -0.000 0.000 0.288 34 L C 0.677 177.542 176.870 -0.007 0.000 1.058 34 L CA 0.246 55.080 54.840 -0.011 0.000 0.809 34 L CB 0.872 42.923 42.059 -0.013 0.000 1.179 34 L HN 0.868 nan 8.230 nan 0.000 0.429 35 A N 6.854 129.671 122.820 -0.005 0.000 2.445 35 A HA 0.379 4.699 4.320 -0.000 0.000 0.242 35 A C -1.580 176.002 177.584 -0.003 0.000 1.075 35 A CA -0.774 51.262 52.037 -0.002 0.000 0.777 35 A CB -0.368 18.633 19.000 0.002 0.000 1.013 35 A HN 0.786 nan 8.150 nan 0.000 0.493 36 P HA -0.198 nan 4.420 nan 0.000 0.217 36 P C -1.293 176.005 177.300 -0.003 0.000 1.162 36 P CA 2.268 65.367 63.100 -0.003 0.000 0.901 36 P CB -0.755 30.944 31.700 -0.002 0.000 0.793 37 P HA -0.145 nan 4.420 nan 0.000 0.218 37 P C 1.287 178.586 177.300 -0.001 0.000 1.149 37 P CA 1.942 65.042 63.100 0.000 0.000 0.817 37 P CB -0.428 31.273 31.700 0.003 0.000 0.785 38 A N 0.680 123.500 122.820 -0.001 0.000 1.897 38 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 38 A C 2.570 180.150 177.584 -0.006 0.000 1.181 38 A CA 1.335 53.370 52.037 -0.002 0.000 0.620 38 A CB -1.287 17.711 19.000 -0.003 0.000 0.821 38 A HN 0.036 nan 8.150 nan 0.000 0.443 39 R N -0.207 120.288 120.500 -0.008 0.000 2.091 39 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 39 R C 1.303 177.594 176.300 -0.013 0.000 1.136 39 R CA 2.026 58.118 56.100 -0.013 0.000 0.959 39 R CB -0.406 29.887 30.300 -0.012 0.000 0.856 39 R HN 0.461 nan 8.270 nan 0.000 0.437 40 D N -0.005 120.389 120.400 -0.010 0.000 2.117 40 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 40 D C 2.064 178.359 176.300 -0.008 0.000 0.982 40 D CA 0.991 54.986 54.000 -0.009 0.000 0.828 40 D CB -0.180 40.617 40.800 -0.006 0.000 0.967 40 D HN 0.288 nan 8.370 nan 0.000 0.464 41 R N 0.089 120.587 120.500 -0.005 0.000 2.096 41 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 41 R C 2.464 178.762 176.300 -0.003 0.000 1.127 41 R CA 0.884 56.984 56.100 -0.001 0.000 0.968 41 R CB -0.409 29.893 30.300 0.004 0.000 0.861 41 R HN 0.226 nan 8.270 nan 0.000 0.440 42 C N -0.161 119.133 119.300 -0.009 0.000 2.440 42 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 42 C C 2.558 177.530 174.990 -0.030 0.000 1.295 42 C CA 0.442 59.450 59.018 -0.016 0.000 1.738 42 C CB -0.752 26.976 27.740 -0.020 0.000 1.987 42 C HN 0.456 nan 8.230 nan 0.000 0.492 43 R N 1.127 121.608 120.500 -0.031 0.000 2.096 43 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 43 R C 2.382 178.660 176.300 -0.037 0.000 1.127 43 R CA 1.599 57.676 56.100 -0.040 0.000 0.968 43 R CB -0.444 29.837 30.300 -0.031 0.000 0.861 43 R HN 0.548 nan 8.270 nan 0.000 0.440 44 A N 0.144 122.949 122.820 -0.024 0.000 1.902 44 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 44 A C 2.172 179.740 177.584 -0.026 0.000 1.181 44 A CA 1.843 53.868 52.037 -0.019 0.000 0.623 44 A CB -0.610 18.386 19.000 -0.007 0.000 0.818 44 A HN 0.304 nan 8.150 nan 0.000 0.443 45 S N -0.817 114.870 115.700 -0.022 0.000 2.383 45 S HA -0.192 4.278 4.470 -0.000 0.000 0.227 45 S C 2.018 176.562 174.600 -0.094 0.000 1.026 45 S CA 1.549 59.734 58.200 -0.026 0.000 0.981 45 S CB -0.336 62.874 63.200 0.016 0.000 0.818 45 S HN 0.674 nan 8.310 nan 0.000 0.472 46 E N 0.346 120.494 120.200 -0.087 0.000 2.085 46 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 46 E C 2.049 178.579 176.600 -0.116 0.000 0.994 46 E CA 1.111 57.441 56.400 -0.117 0.000 0.801 46 E CB -0.353 29.278 29.700 -0.115 0.000 0.743 46 E HN 0.610 nan 8.360 nan 0.000 0.453 47 A N 1.175 123.945 122.820 -0.083 0.000 1.930 47 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 47 A C 2.125 179.659 177.584 -0.084 0.000 1.175 47 A CA 1.099 53.097 52.037 -0.064 0.000 0.627 47 A CB -0.346 18.630 19.000 -0.040 0.000 0.815 47 A HN 0.169 nan 8.150 nan 0.000 0.443 48 R N -1.086 119.352 120.500 -0.104 0.000 2.092 48 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 48 R C 2.073 178.225 176.300 -0.247 0.000 1.119 48 R CA 1.350 57.379 56.100 -0.118 0.000 0.970 48 R CB -0.558 29.701 30.300 -0.067 0.000 0.864 48 R HN 0.504 nan 8.270 nan 0.000 0.440 49 L N 0.608 121.590 121.223 -0.401 0.000 2.046 49 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 49 L C 2.104 178.831 176.870 -0.238 0.000 1.077 49 L CA 2.043 56.555 54.840 -0.547 0.000 0.747 49 L CB -0.932 40.813 42.059 -0.524 0.000 0.896 49 L HN 0.139 nan 8.230 nan 0.000 0.432 50 G N -0.921 107.795 108.800 -0.141 0.000 2.418 50 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 50 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 50 G C 1.592 176.464 174.900 -0.047 0.000 1.158 50 G CA 0.832 45.895 45.100 -0.061 0.000 0.771 50 G HN 0.645 nan 8.290 nan 0.000 0.545 51 A N 0.045 122.833 122.820 -0.053 0.000 1.898 51 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 51 A C 2.586 180.166 177.584 -0.008 0.000 1.181 51 A CA 1.686 53.709 52.037 -0.022 0.000 0.620 51 A CB -0.618 18.372 19.000 -0.015 0.000 0.819 51 A HN 0.248 nan 8.150 nan 0.000 0.442 52 V N 0.265 120.165 119.914 -0.023 0.000 2.407 52 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 52 V C 2.394 178.512 176.094 0.039 0.000 1.055 52 V CA 2.065 64.385 62.300 0.033 0.000 1.049 52 V CB -0.588 31.269 31.823 0.056 0.000 0.662 52 V HN 0.574 nan 8.190 nan 0.000 0.455 53 I N -0.654 119.920 120.570 0.006 0.000 2.233 53 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 53 I C 2.709 178.835 176.117 0.015 0.000 1.093 53 I CA 1.466 62.776 61.300 0.016 0.000 1.380 53 I CB -0.465 37.536 38.000 0.001 0.000 1.067 53 I HN 0.181 nan 8.210 nan 0.000 0.413 54 R N 1.275 121.778 120.500 0.006 0.000 2.105 54 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 54 R C 1.777 178.085 176.300 0.014 0.000 1.135 54 R CA 1.751 57.854 56.100 0.006 0.000 0.967 54 R CB -0.045 30.256 30.300 0.002 0.000 0.861 54 R HN 0.403 nan 8.270 nan 0.000 0.442 55 E N -0.776 119.437 120.200 0.022 0.000 2.478 55 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 55 E C 0.253 176.875 176.600 0.037 0.000 1.045 55 E CA 0.417 56.835 56.400 0.030 0.000 0.868 55 E CB 0.502 30.225 29.700 0.037 0.000 0.885 55 E HN 0.450 nan 8.360 nan 0.000 0.505 56 A N 1.967 124.810 122.820 0.039 0.000 2.791 56 A HA -0.229 4.091 4.320 -0.000 0.000 0.292 56 A C -0.048 177.577 177.584 0.068 0.000 1.487 56 A CA 0.521 52.584 52.037 0.043 0.000 0.760 56 A CB -1.361 17.652 19.000 0.023 0.000 1.031 56 A HN 0.120 nan 8.150 nan 0.000 0.503 57 R N 0.124 120.683 120.500 0.098 0.000 2.590 57 R HA 0.127 4.467 4.340 -0.000 0.000 0.274 57 R C 0.523 176.943 176.300 0.199 0.000 1.061 57 R CA -0.163 56.021 56.100 0.139 0.000 1.081 57 R CB 0.139 30.532 30.300 0.154 0.000 0.984 57 R HN 0.717 nan 8.270 nan 0.000 0.448 58 H N 1.844 120.961 119.070 0.077 0.000 3.215 58 H HA 0.185 4.741 4.556 -0.000 0.000 0.253 58 H C -0.883 174.523 175.328 0.131 0.000 1.102 58 H CA -0.336 55.750 56.048 0.064 0.000 1.482 58 H CB 0.174 29.948 29.762 0.020 0.000 1.542 58 H HN 0.051 nan 8.280 nan 0.000 0.498 59 V N 6.379 126.513 119.914 0.366 0.000 2.686 59 V HA 0.007 4.127 4.120 -0.000 0.000 0.306 59 V C -0.749 175.588 176.094 0.405 0.000 1.065 59 V CA -0.997 61.549 62.300 0.410 0.000 0.894 59 V CB 1.388 33.434 31.823 0.371 0.000 1.004 59 V HN 0.654 nan 8.190 nan 0.000 0.424 60 Y N 3.661 124.214 120.300 0.420 0.000 2.717 60 Y HA 0.358 4.908 4.550 -0.000 0.000 0.330 60 Y C 1.377 177.394 175.900 0.194 0.000 1.217 60 Y CA 1.893 60.142 58.100 0.248 0.000 1.506 60 Y CB 0.599 39.250 38.460 0.320 0.000 1.268 60 Y HN 1.060 nan 8.280 nan 0.000 0.561 61 G N 4.161 112.698 108.800 -0.438 0.000 2.205 61 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.261 61 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.261 61 G C 0.582 175.474 174.900 -0.014 0.000 0.980 61 G CA 0.643 45.620 45.100 -0.207 0.000 0.632 61 G HN 0.676 nan 8.290 nan 0.000 0.533 62 L N -0.276 120.966 121.223 0.031 0.000 2.653 62 L HA 0.287 4.627 4.340 -0.000 0.000 0.230 62 L C 2.183 179.066 176.870 0.023 0.000 1.055 62 L CA 1.489 56.370 54.840 0.068 0.000 0.880 62 L CB 0.538 42.685 42.059 0.146 0.000 1.195 62 L HN 0.437 nan 8.230 nan 0.000 0.492 63 T N -4.187 110.377 114.554 0.017 0.000 3.262 63 T HA 0.177 4.527 4.350 -0.000 0.000 0.300 63 T C 0.308 174.971 174.700 -0.062 0.000 0.959 63 T CA 0.169 62.265 62.100 -0.007 0.000 0.936 63 T CB 0.122 69.017 68.868 0.045 0.000 1.169 63 T HN 0.172 nan 8.240 nan 0.000 0.532 64 T N -1.725 112.741 114.554 -0.146 0.000 2.864 64 T HA 0.768 5.118 4.350 -0.000 0.000 0.299 64 T C 0.539 174.938 174.700 -0.502 0.000 1.166 64 T CA -0.272 61.701 62.100 -0.213 0.000 1.007 64 T CB 1.433 70.263 68.868 -0.064 0.000 1.219 64 T HN 0.295 nan 8.240 nan 0.000 0.506 65 G N -0.048 108.500 108.800 -0.420 0.000 2.553 65 G HA2 0.553 4.513 3.960 -0.000 0.000 0.278 65 G HA3 0.553 4.513 3.960 -0.000 0.000 0.278 65 G C -1.006 173.436 174.900 -0.762 0.000 1.349 65 G CA -0.789 43.970 45.100 -0.569 0.000 1.037 65 G HN 0.560 nan 8.290 nan 0.000 0.508 66 F N -0.752 119.165 119.950 -0.054 0.000 2.483 66 F HA 0.602 5.129 4.527 -0.000 0.000 0.329 66 F C 1.201 177.118 175.800 0.195 0.000 1.064 66 F CA 0.362 58.397 58.000 0.059 0.000 0.986 66 F CB 1.281 40.396 39.000 0.192 0.000 1.218 66 F HN 1.018 nan 8.300 nan 0.000 0.484 67 G N 1.923 111.059 108.800 0.561 0.000 2.596 67 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.295 67 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.295 67 G C -1.697 173.333 174.900 0.216 0.000 1.240 67 G CA 0.009 45.297 45.100 0.313 0.000 0.985 67 G HN 0.557 nan 8.290 nan 0.000 0.555 68 P HA 0.077 nan 4.420 nan 0.000 0.234 68 P C 1.598 178.937 177.300 0.065 0.000 1.167 68 P CA 0.945 64.096 63.100 0.085 0.000 0.763 68 P CB -0.094 31.639 31.700 0.056 0.000 0.835 69 L N -1.085 120.177 121.223 0.065 0.000 2.611 69 L HA 0.220 4.560 4.340 -0.000 0.000 0.229 69 L C 2.255 179.122 176.870 -0.005 0.000 1.137 69 L CA 0.120 54.968 54.840 0.013 0.000 0.901 69 L CB -0.558 41.490 42.059 -0.019 0.000 1.098 69 L HN -0.096 nan 8.230 nan 0.000 0.456 70 A N 1.308 124.162 122.820 0.058 0.000 2.178 70 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 70 A C 1.959 179.574 177.584 0.052 0.000 1.157 70 A CA 1.386 53.460 52.037 0.062 0.000 0.689 70 A CB -0.526 18.624 19.000 0.249 0.000 0.787 70 A HN 0.651 nan 8.150 nan 0.000 0.465 71 N N -0.542 118.179 118.700 0.036 0.000 2.515 71 N HA -0.042 4.698 4.740 -0.000 0.000 0.185 71 N C 0.036 175.535 175.510 -0.017 0.000 1.109 71 N CA 0.244 53.308 53.050 0.023 0.000 0.903 71 N CB -0.172 38.328 38.487 0.021 0.000 0.969 71 N HN 0.194 nan 8.380 nan 0.000 0.450 72 R N 1.111 121.587 120.500 -0.039 0.000 2.205 72 R HA 0.386 4.726 4.340 -0.000 0.000 0.342 72 R C -0.188 176.059 176.300 -0.089 0.000 1.058 72 R CA -0.284 55.779 56.100 -0.062 0.000 0.904 72 R CB 0.718 30.979 30.300 -0.065 0.000 1.089 72 R HN 0.151 nan 8.270 nan 0.000 0.471 73 L N 3.984 125.150 121.223 -0.095 0.000 2.397 73 L HA 0.333 4.672 4.340 -0.000 0.000 0.271 73 L C 0.148 176.959 176.870 -0.100 0.000 1.148 73 L CA -0.303 54.466 54.840 -0.118 0.000 0.825 73 L CB 0.527 42.493 42.059 -0.155 0.000 1.117 73 L HN 0.355 nan 8.230 nan 0.000 0.456 74 I N 1.565 122.075 120.570 -0.101 0.000 2.433 74 I HA 0.211 4.381 4.170 -0.000 0.000 0.292 74 I C 0.347 176.429 176.117 -0.059 0.000 1.001 74 I CA -0.194 61.057 61.300 -0.082 0.000 1.119 74 I CB 1.642 39.580 38.000 -0.103 0.000 1.289 74 I HN 0.530 nan 8.210 nan 0.000 0.438 75 S N 3.271 118.944 115.700 -0.045 0.000 2.580 75 S HA 0.331 4.800 4.470 -0.000 0.000 0.274 75 S C 1.503 176.088 174.600 -0.024 0.000 1.329 75 S CA 0.176 58.357 58.200 -0.033 0.000 1.036 75 S CB 1.226 64.410 63.200 -0.027 0.000 0.919 75 S HN 0.886 nan 8.310 nan 0.000 0.515 76 G N 2.897 111.686 108.800 -0.017 0.000 2.503 76 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.221 76 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.221 76 G C 1.289 176.183 174.900 -0.011 0.000 1.131 76 G CA 1.173 46.267 45.100 -0.010 0.000 0.756 76 G HN 0.922 nan 8.290 nan 0.000 0.572 77 E N 0.631 120.823 120.200 -0.012 0.000 2.265 77 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 77 E C 1.128 177.723 176.600 -0.009 0.000 0.996 77 E CA 0.960 57.353 56.400 -0.011 0.000 0.832 77 E CB -0.310 29.383 29.700 -0.011 0.000 0.756 77 E HN 0.404 nan 8.360 nan 0.000 0.491 78 N N 0.667 119.361 118.700 -0.011 0.000 2.236 78 N HA 0.058 4.798 4.740 -0.000 0.000 0.196 78 N C 1.577 177.086 175.510 -0.002 0.000 1.114 78 N CA 0.154 53.200 53.050 -0.007 0.000 0.859 78 N CB 0.941 39.421 38.487 -0.011 0.000 0.982 78 N HN 0.031 nan 8.380 nan 0.000 0.493 79 V N 1.268 121.180 119.914 -0.003 0.000 2.343 79 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 79 V C 2.352 178.459 176.094 0.022 0.000 1.051 79 V CA 1.492 63.797 62.300 0.007 0.000 1.036 79 V CB -0.316 31.512 31.823 0.009 0.000 0.654 79 V HN 0.247 nan 8.190 nan 0.000 0.451 80 R N -0.266 120.239 120.500 0.009 0.000 2.096 80 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 80 R C 2.405 178.709 176.300 0.007 0.000 1.127 80 R CA 1.885 57.988 56.100 0.005 0.000 0.968 80 R CB -0.632 29.663 30.300 -0.009 0.000 0.861 80 R HN 0.491 nan 8.270 nan 0.000 0.440 81 T N 1.648 116.210 114.554 0.013 0.000 2.821 81 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 81 T C 1.727 176.455 174.700 0.046 0.000 1.046 81 T CA 0.854 62.967 62.100 0.021 0.000 1.139 81 T CB -0.152 68.730 68.868 0.024 0.000 0.871 81 T HN 0.095 nan 8.240 nan 0.000 0.454 82 L N 1.411 122.672 121.223 0.063 0.000 1.989 82 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 82 L C 2.400 179.402 176.870 0.221 0.000 1.071 82 L CA 1.841 56.760 54.840 0.132 0.000 0.749 82 L CB -0.616 41.483 42.059 0.067 0.000 0.890 82 L HN 0.234 nan 8.230 nan 0.000 0.431 83 Q N -0.779 119.108 119.800 0.145 0.000 2.230 83 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 83 Q C 2.191 178.161 176.000 -0.050 0.000 0.963 83 Q CA 1.136 56.995 55.803 0.094 0.000 0.866 83 Q CB -0.275 28.504 28.738 0.068 0.000 0.931 83 Q HN 0.711 nan 8.270 nan 0.000 0.452 84 A N 1.564 124.338 122.820 -0.078 0.000 1.929 84 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 84 A C 1.732 179.092 177.584 -0.374 0.000 1.176 84 A CA 1.187 53.078 52.037 -0.243 0.000 0.628 84 A CB -0.239 18.648 19.000 -0.188 0.000 0.816 84 A HN 0.247 nan 8.150 nan 0.000 0.444 85 N N -0.149 118.496 118.700 -0.092 0.000 2.270 85 N HA -0.099 4.640 4.740 -0.000 0.000 0.181 85 N C 1.553 177.134 175.510 0.119 0.000 1.016 85 N CA 1.190 54.290 53.050 0.083 0.000 0.870 85 N CB -0.510 38.107 38.487 0.217 0.000 0.979 85 N HN 0.440 nan 8.380 nan 0.000 0.431 86 L N 0.959 122.164 121.223 -0.031 0.000 1.989 86 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 86 L C 1.953 178.427 176.870 -0.660 0.000 1.071 86 L CA 1.482 56.038 54.840 -0.474 0.000 0.749 86 L CB -0.746 40.929 42.059 -0.640 0.000 0.890 86 L HN -0.099 nan 8.230 nan 0.000 0.431 87 V N -0.287 119.374 119.914 -0.422 0.000 2.332 87 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 87 V C 2.392 178.332 176.094 -0.257 0.000 1.055 87 V CA 2.274 64.359 62.300 -0.359 0.000 1.038 87 V CB -1.031 30.625 31.823 -0.278 0.000 0.651 87 V HN 0.632 nan 8.190 nan 0.000 0.450 88 H N -0.327 118.626 119.070 -0.195 0.000 2.270 88 H HA -0.186 4.369 4.556 -0.000 0.000 0.299 88 H C 2.238 177.518 175.328 -0.081 0.000 1.077 88 H CA 1.938 57.922 56.048 -0.108 0.000 1.294 88 H CB -0.291 29.469 29.762 -0.004 0.000 1.371 88 H HN 0.608 nan 8.280 nan 0.000 0.491 89 F N 0.690 120.668 119.950 0.047 0.000 2.365 89 F HA -0.024 4.503 4.527 0.000 0.000 0.300 89 F C 1.666 177.439 175.800 -0.045 0.000 1.090 89 F CA 0.772 58.771 58.000 -0.001 0.000 1.408 89 F CB -0.683 38.322 39.000 0.008 0.000 1.060 89 F HN 0.002 nan 8.300 nan 0.000 0.534 90 L N 0.666 121.525 121.223 -0.606 0.000 2.418 90 L HA 0.201 4.541 4.340 -0.000 0.000 0.218 90 L C 1.879 178.591 176.870 -0.264 0.000 1.125 90 L CA 0.416 54.976 54.840 -0.467 0.000 0.835 90 L CB -0.659 41.017 42.059 -0.637 0.000 0.953 90 L HN 0.282 nan 8.230 nan 0.000 0.454 91 A N 0.063 122.702 122.820 -0.302 0.000 3.029 91 A HA 0.153 4.473 4.320 -0.000 0.000 0.251 91 A C 1.201 178.730 177.584 -0.092 0.000 1.749 91 A CA 0.265 52.006 52.037 -0.493 0.000 1.386 91 A CB -0.646 18.012 19.000 -0.570 0.000 1.043 91 A HN 0.362 nan 8.150 nan 0.000 0.638 92 S N -0.635 115.113 115.700 0.079 0.000 2.602 92 S HA 0.373 4.843 4.470 -0.000 0.000 0.240 92 S C 0.880 175.583 174.600 0.171 0.000 0.992 92 S CA 0.076 58.353 58.200 0.129 0.000 0.971 92 S CB 0.101 63.351 63.200 0.084 0.000 0.855 92 S HN 0.758 nan 8.310 nan 0.000 0.481 93 G N 1.608 110.609 108.800 0.336 0.000 2.544 93 G HA2 0.498 4.458 3.960 -0.000 0.000 0.242 93 G HA3 0.498 4.458 3.960 -0.000 0.000 0.242 93 G C -0.109 174.772 174.900 -0.031 0.000 1.247 93 G CA 0.092 45.243 45.100 0.085 0.000 0.840 93 G HN 0.971 nan 8.290 nan 0.000 0.578 94 V N -0.769 119.117 119.914 -0.047 0.000 3.167 94 V HA 1.037 5.156 4.120 -0.000 0.000 0.310 94 V C 0.604 176.665 176.094 -0.055 0.000 1.207 94 V CA -0.119 62.153 62.300 -0.047 0.000 1.059 94 V CB 1.085 32.900 31.823 -0.013 0.000 1.079 94 V HN 2.531 nan 8.190 nan 0.000 0.446 95 G N 0.494 109.269 108.800 -0.042 0.000 2.712 95 G HA2 0.054 4.014 3.960 -0.000 0.000 0.683 95 G HA3 0.054 4.014 3.960 -0.000 0.000 0.683 95 G C -2.730 172.146 174.900 -0.041 0.000 1.320 95 G CA -0.318 44.762 45.100 -0.034 0.000 0.847 95 G HN 1.125 nan 8.290 nan 0.000 0.553 96 P HA 0.392 nan 4.420 nan 0.000 0.266 96 P C 0.869 178.150 177.300 -0.031 0.000 1.195 96 P CA 0.491 63.579 63.100 -0.020 0.000 0.768 96 P CB 0.779 32.476 31.700 -0.005 0.000 0.838 97 V N 1.705 121.600 119.914 -0.030 0.000 3.051 97 V HA 0.151 4.271 4.120 -0.000 0.000 0.306 97 V C 0.712 176.799 176.094 -0.013 0.000 1.083 97 V CA -0.671 61.606 62.300 -0.039 0.000 1.104 97 V CB -0.483 31.320 31.823 -0.033 0.000 1.027 97 V HN 0.305 nan 8.190 nan 0.000 0.483 98 L N 2.601 123.813 121.223 -0.019 0.000 2.461 98 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 98 L C 0.653 177.542 176.870 0.033 0.000 1.197 98 L CA -0.196 54.645 54.840 0.002 0.000 0.836 98 L CB 0.165 42.216 42.059 -0.014 0.000 1.105 98 L HN 1.027 nan 8.230 nan 0.000 0.477 99 D N -0.067 120.369 120.400 0.059 0.000 2.361 99 D HA -0.110 4.529 4.640 -0.000 0.000 0.239 99 D C 0.704 177.096 176.300 0.153 0.000 1.200 99 D CA -0.441 53.626 54.000 0.113 0.000 0.915 99 D CB 0.517 41.390 40.800 0.120 0.000 1.170 99 D HN 0.544 nan 8.370 nan 0.000 0.444 100 W N 1.120 122.423 121.300 0.005 0.000 2.290 100 W HA -0.301 4.359 4.660 -0.000 0.000 0.328 100 W C 2.198 178.711 176.519 -0.011 0.000 1.272 100 W CA 2.777 60.124 57.345 0.004 0.000 1.262 100 W CB -0.822 28.644 29.460 0.009 0.000 1.151 100 W HN 0.443 nan 8.180 nan 0.000 0.473 101 T N -0.373 114.316 114.554 0.225 0.000 2.746 101 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 101 T C 1.560 176.185 174.700 -0.125 0.000 1.039 101 T CA 2.225 64.305 62.100 -0.033 0.000 1.142 101 T CB -0.863 68.073 68.868 0.112 0.000 0.866 101 T HN 0.188 nan 8.240 nan 0.000 0.444 102 T N 1.883 116.422 114.554 -0.026 0.000 2.777 102 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 102 T C 2.423 177.077 174.700 -0.076 0.000 1.040 102 T CA 1.044 63.126 62.100 -0.029 0.000 1.141 102 T CB -0.470 68.409 68.868 0.020 0.000 0.868 102 T HN 0.426 nan 8.240 nan 0.000 0.444 103 A N 1.666 124.428 122.820 -0.095 0.000 1.930 103 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 103 A C 2.359 179.838 177.584 -0.175 0.000 1.175 103 A CA 1.227 53.194 52.037 -0.116 0.000 0.627 103 A CB -0.408 18.529 19.000 -0.105 0.000 0.815 103 A HN 0.388 nan 8.150 nan 0.000 0.443 104 R N -0.596 119.733 120.500 -0.283 0.000 2.115 104 R HA 0.032 4.372 4.340 -0.000 0.000 0.226 104 R C 2.375 178.540 176.300 -0.224 0.000 1.100 104 R CA 0.987 56.892 56.100 -0.325 0.000 0.980 104 R CB -0.355 29.602 30.300 -0.572 0.000 0.875 104 R HN 0.495 nan 8.270 nan 0.000 0.445 105 A N 1.082 123.788 122.820 -0.189 0.000 1.969 105 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 105 A C 2.090 179.619 177.584 -0.092 0.000 1.169 105 A CA 1.145 53.104 52.037 -0.129 0.000 0.635 105 A CB -0.403 18.543 19.000 -0.089 0.000 0.810 105 A HN 0.318 nan 8.150 nan 0.000 0.445 106 M N -0.304 119.244 119.600 -0.087 0.000 2.132 106 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 106 M C 1.839 178.098 176.300 -0.069 0.000 1.065 106 M CA 1.889 57.150 55.300 -0.065 0.000 1.122 106 M CB -0.215 32.350 32.600 -0.058 0.000 1.365 106 M HN 0.177 nan 8.290 nan 0.000 0.411 107 V N 1.173 121.035 119.914 -0.087 0.000 2.332 107 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 107 V C 2.438 178.489 176.094 -0.071 0.000 1.055 107 V CA 1.774 64.028 62.300 -0.077 0.000 1.038 107 V CB -0.963 30.806 31.823 -0.090 0.000 0.651 107 V HN 0.595 nan 8.190 nan 0.000 0.450 108 L N 0.934 122.105 121.223 -0.087 0.000 2.046 108 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 108 L C 2.436 179.268 176.870 -0.063 0.000 1.077 108 L CA 2.387 57.180 54.840 -0.078 0.000 0.747 108 L CB -0.958 41.044 42.059 -0.094 0.000 0.896 108 L HN 0.216 nan 8.230 nan 0.000 0.432 109 A N -0.466 122.318 122.820 -0.060 0.000 1.902 109 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 109 A C 2.456 180.016 177.584 -0.040 0.000 1.181 109 A CA 1.801 53.809 52.037 -0.050 0.000 0.623 109 A CB -0.606 18.368 19.000 -0.043 0.000 0.818 109 A HN 0.481 nan 8.150 nan 0.000 0.443 110 R N -0.600 119.878 120.500 -0.037 0.000 2.081 110 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 110 R C 1.957 178.242 176.300 -0.025 0.000 1.131 110 R CA 1.600 57.684 56.100 -0.026 0.000 0.960 110 R CB -0.694 29.590 30.300 -0.027 0.000 0.856 110 R HN 0.452 nan 8.270 nan 0.000 0.436 111 L N -0.136 121.067 121.223 -0.032 0.000 2.046 111 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 111 L C 1.909 178.761 176.870 -0.029 0.000 1.077 111 L CA 1.644 56.467 54.840 -0.030 0.000 0.747 111 L CB -0.478 41.559 42.059 -0.037 0.000 0.896 111 L HN 0.070 nan 8.230 nan 0.000 0.432 112 V N -1.026 118.866 119.914 -0.037 0.000 2.343 112 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 112 V C 2.759 178.837 176.094 -0.028 0.000 1.051 112 V CA 1.790 64.067 62.300 -0.040 0.000 1.036 112 V CB -0.799 30.990 31.823 -0.057 0.000 0.654 112 V HN 0.650 nan 8.190 nan 0.000 0.451 113 S N -0.248 115.438 115.700 -0.025 0.000 2.356 113 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 113 S C 1.944 176.541 174.600 -0.004 0.000 1.032 113 S CA 1.734 59.924 58.200 -0.015 0.000 1.005 113 S CB -0.359 62.833 63.200 -0.012 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.757 122.326 120.570 -0.001 0.000 2.264 114 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 114 I C 2.675 178.795 176.117 0.005 0.000 1.111 114 I CA 1.125 62.430 61.300 0.008 0.000 1.382 114 I CB -0.508 37.494 38.000 0.003 0.000 1.060 114 I HN 0.384 nan 8.210 nan 0.000 0.418 115 A N -0.013 122.804 122.820 -0.005 0.000 2.178 115 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 115 A C 2.074 179.659 177.584 0.001 0.000 1.157 115 A CA 1.113 53.147 52.037 -0.005 0.000 0.689 115 A CB -0.312 18.681 19.000 -0.012 0.000 0.787 115 A HN 0.398 nan 8.150 nan 0.000 0.465 116 Q N -1.125 118.678 119.800 0.004 0.000 2.436 116 Q HA 0.077 4.417 4.340 -0.000 0.000 0.209 116 Q C 1.241 177.250 176.000 0.015 0.000 0.965 116 Q CA 0.787 56.595 55.803 0.008 0.000 0.910 116 Q CB -0.541 28.199 28.738 0.004 0.000 0.980 116 Q HN 1.036 nan 8.270 nan 0.000 0.491 117 G N 0.372 109.184 108.800 0.020 0.000 2.212 117 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.255 117 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.255 117 G C 0.448 175.381 174.900 0.055 0.000 1.062 117 G CA 0.415 45.532 45.100 0.029 0.000 0.815 117 G HN 0.522 nan 8.290 nan 0.000 0.497 118 A N -1.032 121.832 122.820 0.074 0.000 2.635 118 A HA 0.720 5.040 4.320 -0.000 0.000 0.279 118 A C 1.611 179.317 177.584 0.204 0.000 1.122 118 A CA 1.354 53.462 52.037 0.119 0.000 0.965 118 A CB 0.292 19.321 19.000 0.048 0.000 1.221 118 A HN 0.784 nan 8.150 nan 0.000 0.566 119 S N -1.040 114.773 115.700 0.189 0.000 2.511 119 S HA 0.359 4.829 4.470 -0.000 0.000 0.214 119 S C 1.534 176.298 174.600 0.274 0.000 0.997 119 S CA 0.661 59.002 58.200 0.234 0.000 0.908 119 S CB 0.411 63.679 63.200 0.114 0.000 0.803 119 S HN 1.659 nan 8.310 nan 0.000 0.504 120 G N 1.990 110.873 108.800 0.137 0.000 2.155 120 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 120 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 120 G C 0.244 175.115 174.900 -0.049 0.000 0.983 120 G CA 0.097 45.160 45.100 -0.063 0.000 0.676 120 G HN 0.900 nan 8.290 nan 0.000 0.528 121 A N 0.345 123.163 122.820 -0.003 0.000 2.511 121 A HA 0.605 4.925 4.320 -0.000 0.000 0.242 121 A C 1.161 178.698 177.584 -0.080 0.000 1.069 121 A CA 1.011 53.034 52.037 -0.024 0.000 0.763 121 A CB 0.206 19.202 19.000 -0.007 0.000 1.001 121 A HN 2.032 nan 8.150 nan 0.000 0.498 122 S N 1.692 117.315 115.700 -0.127 0.000 2.614 122 S HA 0.178 4.648 4.470 -0.000 0.000 0.265 122 S C 0.745 175.248 174.600 -0.162 0.000 1.303 122 S CA 0.121 58.176 58.200 -0.243 0.000 1.000 122 S CB 0.693 63.595 63.200 -0.497 0.000 0.935 122 S HN 0.718 nan 8.310 nan 0.000 0.551 123 E N 1.513 121.613 120.200 -0.167 0.000 2.085 123 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 123 E C 2.159 178.717 176.600 -0.070 0.000 0.994 123 E CA 1.217 57.559 56.400 -0.096 0.000 0.801 123 E CB -0.792 28.860 29.700 -0.080 0.000 0.743 123 E HN 0.903 nan 8.360 nan 0.000 0.453 124 G N 0.645 109.398 108.800 -0.078 0.000 2.418 124 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 124 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 124 G C 1.641 176.530 174.900 -0.018 0.000 1.158 124 G CA 1.338 46.421 45.100 -0.028 0.000 0.771 124 G HN 0.190 nan 8.290 nan 0.000 0.545 125 T N 1.322 115.858 114.554 -0.030 0.000 2.746 125 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 125 T C 2.380 177.070 174.700 -0.017 0.000 1.039 125 T CA 1.031 63.122 62.100 -0.014 0.000 1.142 125 T CB -0.158 68.700 68.868 -0.017 0.000 0.866 125 T HN 0.253 nan 8.240 nan 0.000 0.444 126 I N 1.221 121.775 120.570 -0.028 0.000 2.252 126 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 126 I C 2.904 179.010 176.117 -0.018 0.000 1.102 126 I CA 0.981 62.267 61.300 -0.024 0.000 1.385 126 I CB -0.469 37.513 38.000 -0.029 0.000 1.064 126 I HN 0.189 nan 8.210 nan 0.000 0.414 127 A N 0.912 123.721 122.820 -0.018 0.000 1.933 127 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 127 A C 2.340 179.922 177.584 -0.004 0.000 1.175 127 A CA 1.313 53.343 52.037 -0.011 0.000 0.628 127 A CB -0.403 18.591 19.000 -0.010 0.000 0.814 127 A HN 0.258 nan 8.150 nan 0.000 0.444 128 R N -0.182 120.319 120.500 0.002 0.000 2.096 128 R HA -0.026 4.314 4.340 -0.000 0.000 0.235 128 R C 2.035 178.342 176.300 0.012 0.000 1.127 128 R CA 1.178 57.286 56.100 0.014 0.000 0.968 128 R CB -1.007 29.307 30.300 0.023 0.000 0.861 128 R HN 0.596 nan 8.270 nan 0.000 0.440 129 L N 0.205 121.428 121.223 -0.001 0.000 2.027 129 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 129 L C 2.509 179.368 176.870 -0.017 0.000 1.074 129 L CA 1.141 55.975 54.840 -0.010 0.000 0.745 129 L CB -0.483 41.565 42.059 -0.019 0.000 0.898 129 L HN 0.060 nan 8.230 nan 0.000 0.433 130 I N -0.040 120.520 120.570 -0.017 0.000 2.226 130 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 130 I C 2.126 178.234 176.117 -0.015 0.000 1.100 130 I CA 1.184 62.472 61.300 -0.020 0.000 1.374 130 I CB -0.394 37.596 38.000 -0.017 0.000 1.057 130 I HN 0.258 nan 8.210 nan 0.000 0.413 131 D N 0.770 121.166 120.400 -0.007 0.000 2.097 131 D HA -0.177 4.463 4.640 -0.000 0.000 0.195 131 D C 2.137 178.436 176.300 -0.002 0.000 0.989 131 D CA 0.956 54.954 54.000 -0.004 0.000 0.827 131 D CB -0.354 40.446 40.800 -0.001 0.000 0.966 131 D HN 0.148 nan 8.370 nan 0.000 0.456 132 L N 0.792 122.019 121.223 0.008 0.000 2.012 132 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 132 L C 2.113 178.970 176.870 -0.020 0.000 1.073 132 L CA 1.446 56.298 54.840 0.019 0.000 0.748 132 L CB -0.893 41.193 42.059 0.046 0.000 0.891 132 L HN 0.107 nan 8.230 nan 0.000 0.431 133 L N 0.113 121.309 121.223 -0.044 0.000 2.131 133 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 133 L C 1.866 178.710 176.870 -0.044 0.000 1.092 133 L CA 0.910 55.705 54.840 -0.075 0.000 0.759 133 L CB -0.546 41.467 42.059 -0.075 0.000 0.903 133 L HN 0.372 nan 8.230 nan 0.000 0.435 134 N N -0.466 118.222 118.700 -0.018 0.000 2.398 134 N HA -0.006 4.734 4.740 -0.000 0.000 0.188 134 N C 0.778 176.299 175.510 0.019 0.000 1.122 134 N CA 0.311 53.361 53.050 0.000 0.000 0.866 134 N CB 0.200 38.685 38.487 -0.002 0.000 0.970 134 N HN 0.329 nan 8.380 nan 0.000 0.462 135 S N 0.211 115.924 115.700 0.023 0.000 2.738 135 S HA 0.222 4.692 4.470 -0.000 0.000 0.284 135 S C 0.916 175.588 174.600 0.119 0.000 1.146 135 S CA -0.665 57.562 58.200 0.045 0.000 0.997 135 S CB 1.341 64.552 63.200 0.018 0.000 1.081 135 S HN 0.282 nan 8.310 nan 0.000 0.553 136 E N -0.232 120.062 120.200 0.157 0.000 2.465 136 E HA 0.279 4.629 4.350 -0.000 0.000 0.191 136 E C -0.010 176.886 176.600 0.494 0.000 1.053 136 E CA -0.225 56.357 56.400 0.303 0.000 0.869 136 E CB -0.329 29.462 29.700 0.151 0.000 0.977 136 E HN 0.520 nan 8.360 nan 0.000 0.483 137 L N 0.585 122.008 121.223 0.333 0.000 2.335 137 L HA 0.803 5.143 4.340 -0.000 0.000 0.268 137 L C -0.196 176.785 176.870 0.186 0.000 1.016 137 L CA -1.233 53.835 54.840 0.380 0.000 0.805 137 L CB 1.667 43.839 42.059 0.190 0.000 1.311 137 L HN 0.074 nan 8.230 nan 0.000 0.456 138 A N 0.770 123.722 122.820 0.220 0.000 2.549 138 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 138 A C -2.808 174.841 177.584 0.108 0.000 1.061 138 A CA -1.363 50.654 52.037 -0.033 0.000 0.690 138 A CB 1.822 20.611 19.000 -0.352 0.000 1.287 138 A HN 0.363 nan 8.150 nan 0.000 0.402 139 P HA 0.382 nan 4.420 nan 0.000 0.274 139 P C -0.351 176.846 177.300 -0.172 0.000 1.231 139 P CA 0.066 62.989 63.100 -0.296 0.000 0.790 139 P CB 1.237 32.769 31.700 -0.279 0.000 0.951 140 A N 3.006 125.704 122.820 -0.204 0.000 2.366 140 A HA 0.514 4.834 4.320 -0.000 0.000 0.322 140 A C 0.150 177.659 177.584 -0.124 0.000 1.397 140 A CA -0.520 51.458 52.037 -0.100 0.000 0.984 140 A CB -0.332 18.634 19.000 -0.057 0.000 1.149 140 A HN 0.433 nan 8.150 nan 0.000 0.540 141 V N 0.700 120.545 119.914 -0.115 0.000 2.604 141 V HA 0.714 4.833 4.120 -0.000 0.000 0.305 141 V C -3.076 172.907 176.094 -0.185 0.000 1.043 141 V CA -2.844 59.362 62.300 -0.157 0.000 0.888 141 V CB 1.648 33.414 31.823 -0.094 0.000 0.995 141 V HN 0.540 nan 8.190 nan 0.000 0.429 142 P HA 0.151 nan 4.420 nan 0.000 0.266 142 P C 0.915 178.131 177.300 -0.140 0.000 1.195 142 P CA 0.426 63.381 63.100 -0.242 0.000 0.768 142 P CB 0.867 32.346 31.700 -0.369 0.000 0.838 143 S N 2.791 118.442 115.700 -0.081 0.000 2.470 143 S HA 0.046 4.516 4.470 -0.000 0.000 0.225 143 S C 0.673 175.256 174.600 -0.029 0.000 1.006 143 S CA 0.324 58.498 58.200 -0.043 0.000 0.934 143 S CB -0.079 63.108 63.200 -0.021 0.000 0.778 143 S HN 0.336 nan 8.310 nan 0.000 0.517 144 R N -0.333 120.146 120.500 -0.035 0.000 2.732 144 R HA 0.633 4.973 4.340 -0.000 0.000 0.278 144 R C 0.691 176.986 176.300 -0.008 0.000 0.976 144 R CA -0.072 56.019 56.100 -0.015 0.000 0.963 144 R CB 1.609 31.902 30.300 -0.010 0.000 1.150 144 R HN 0.300 nan 8.270 nan 0.000 0.478 145 G N 0.183 108.988 108.800 0.009 0.000 2.738 145 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.195 145 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.195 145 G C 0.017 174.932 174.900 0.025 0.000 1.001 145 G CA -0.086 45.029 45.100 0.024 0.000 0.759 145 G HN 0.593 nan 8.290 nan 0.000 0.494 146 T N 0.656 115.222 114.554 0.019 0.000 2.895 146 T HA 0.533 4.883 4.350 -0.000 0.000 0.283 146 T C 1.409 176.123 174.700 0.023 0.000 1.014 146 T CA 0.402 62.512 62.100 0.016 0.000 1.037 146 T CB 1.679 70.553 68.868 0.009 0.000 1.006 146 T HN 1.093 nan 8.240 nan 0.000 0.468 147 V N 1.376 121.304 119.914 0.024 0.000 3.542 147 V HA 0.600 4.720 4.120 -0.000 0.000 0.296 147 V C 1.170 177.289 176.094 0.042 0.000 1.364 147 V CA 0.235 62.557 62.300 0.036 0.000 1.118 147 V CB -1.346 30.500 31.823 0.039 0.000 0.972 147 V HN 1.359 nan 8.190 nan 0.000 0.430 153 L N -0.291 120.889 121.223 -0.072 0.000 2.012 153 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 153 L C 2.392 179.196 176.870 -0.110 0.000 1.073 153 L CA 1.484 56.255 54.840 -0.114 0.000 0.748 153 L CB -0.661 41.303 42.059 -0.158 0.000 0.891 153 L HN 0.104 nan 8.230 nan 0.000 0.431 154 T N 0.443 114.959 114.554 -0.064 0.000 2.652 154 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 154 T C -0.450 174.300 174.700 0.083 0.000 1.039 154 T CA 1.782 63.875 62.100 -0.012 0.000 1.153 154 T CB -1.173 67.719 68.868 0.040 0.000 0.863 154 T HN 0.315 nan 8.240 nan 0.000 0.428 155 P HA 0.031 nan 4.420 nan 0.000 0.218 155 P C 1.547 178.867 177.300 0.033 0.000 1.149 155 P CA 0.925 64.065 63.100 0.066 0.000 0.817 155 P CB -0.216 31.487 31.700 0.006 0.000 0.785 156 L N -0.704 120.508 121.223 -0.019 0.000 2.156 156 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 156 L C 2.751 179.573 176.870 -0.079 0.000 1.095 156 L CA 1.208 56.019 54.840 -0.049 0.000 0.770 156 L CB -0.983 41.041 42.059 -0.059 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.886 121.860 122.820 -0.123 0.000 1.898 157 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 157 A C 2.122 179.587 177.584 -0.198 0.000 1.181 157 A CA 1.227 53.139 52.037 -0.209 0.000 0.620 157 A CB -0.693 18.117 19.000 -0.317 0.000 0.819 157 A HN 0.389 nan 8.150 nan 0.000 0.442 158 H N -1.126 117.881 119.070 -0.105 0.000 2.387 158 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 158 H C 2.094 177.349 175.328 -0.121 0.000 1.090 158 H CA 1.784 57.773 56.048 -0.099 0.000 1.332 158 H CB -0.267 29.442 29.762 -0.090 0.000 1.386 158 H HN 0.602 nan 8.280 nan 0.000 0.516 159 M N 0.548 120.143 119.600 -0.007 0.000 2.086 159 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 159 M C 2.123 178.372 176.300 -0.085 0.000 1.067 159 M CA 1.329 56.585 55.300 -0.073 0.000 1.116 159 M CB -0.132 32.430 32.600 -0.064 0.000 1.348 159 M HN -0.009 nan 8.290 nan 0.000 0.407 160 V N 1.352 121.220 119.914 -0.076 0.000 2.332 160 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 160 V C 2.450 178.509 176.094 -0.060 0.000 1.055 160 V CA 1.870 64.129 62.300 -0.068 0.000 1.038 160 V CB -0.785 30.985 31.823 -0.088 0.000 0.651 160 V HN 0.550 nan 8.190 nan 0.000 0.450 161 L N -0.932 120.248 121.223 -0.072 0.000 2.046 161 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 161 L C 2.662 179.501 176.870 -0.051 0.000 1.077 161 L CA 1.653 56.466 54.840 -0.045 0.000 0.747 161 L CB -0.761 41.271 42.059 -0.045 0.000 0.896 161 L HN 0.407 nan 8.230 nan 0.000 0.432 162 C N -0.074 119.149 119.300 -0.129 0.000 2.436 162 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 162 C C 2.662 177.575 174.990 -0.128 0.000 1.241 162 C CA 0.459 59.295 59.018 -0.304 0.000 1.721 162 C CB -0.882 26.498 27.740 -0.601 0.000 2.043 162 C HN 0.440 nan 8.230 nan 0.000 0.472 163 L N 0.405 121.608 121.223 -0.034 0.000 2.353 163 L HA -0.178 4.162 4.340 -0.000 0.000 0.220 163 L C 2.356 179.303 176.870 0.127 0.000 1.133 163 L CA 1.263 56.181 54.840 0.130 0.000 0.798 163 L CB -0.676 41.422 42.059 0.064 0.000 0.922 163 L HN 0.551 nan 8.230 nan 0.000 0.445 164 Q N -0.381 119.466 119.800 0.077 0.000 2.360 164 Q HA 0.134 4.474 4.340 -0.000 0.000 0.202 164 Q C 1.339 177.397 176.000 0.097 0.000 0.915 164 Q CA 0.488 56.332 55.803 0.070 0.000 0.943 164 Q CB 0.668 29.428 28.738 0.037 0.000 1.064 164 Q HN 0.540 nan 8.270 nan 0.000 0.511 165 G N 1.801 110.694 108.800 0.155 0.000 2.136 165 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 165 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 165 G C 0.536 175.509 174.900 0.122 0.000 0.989 165 G CA 0.109 45.319 45.100 0.184 0.000 0.682 165 G HN 0.321 nan 8.290 nan 0.000 0.522 166 R N -0.053 120.494 120.500 0.079 0.000 2.546 166 R HA 0.467 4.807 4.340 -0.000 0.000 0.320 166 R C 1.018 177.335 176.300 0.028 0.000 1.021 166 R CA 0.480 56.611 56.100 0.052 0.000 1.088 166 R CB 0.905 31.233 30.300 0.047 0.000 1.278 166 R HN 0.519 nan 8.270 nan 0.000 0.557 167 G N -0.338 108.466 108.800 0.007 0.000 2.692 167 G HA2 0.247 4.207 3.960 -0.000 0.000 0.291 167 G HA3 0.247 4.207 3.960 -0.000 0.000 0.291 167 G C -1.496 173.358 174.900 -0.077 0.000 1.423 167 G CA -0.645 44.430 45.100 -0.041 0.000 0.843 167 G HN -0.128 nan 8.290 nan 0.000 0.486 168 D N -0.551 119.809 120.400 -0.067 0.000 2.360 168 D HA 0.570 5.209 4.640 -0.000 0.000 0.242 168 D C -0.495 175.711 176.300 -0.157 0.000 1.184 168 D CA 0.597 54.592 54.000 -0.010 0.000 0.930 168 D CB 0.838 41.649 40.800 0.018 0.000 1.161 168 D HN 0.109 nan 8.370 nan 0.000 0.447 169 F N -0.539 119.436 119.950 0.041 0.000 2.611 169 F HA 0.532 5.059 4.527 -0.000 0.000 0.324 169 F C -0.230 175.616 175.800 0.077 0.000 1.061 169 F CA -0.916 57.117 58.000 0.054 0.000 0.954 169 F CB 1.219 40.252 39.000 0.055 0.000 1.301 169 F HN -0.064 nan 8.300 nan 0.000 0.482 170 L N 1.504 122.928 121.223 0.336 0.000 2.362 170 L HA 0.447 4.787 4.340 -0.000 0.000 0.271 170 L C -1.050 176.040 176.870 0.367 0.000 1.002 170 L CA -1.040 53.973 54.840 0.287 0.000 0.818 170 L CB 1.923 44.154 42.059 0.286 0.000 1.298 170 L HN 0.588 nan 8.230 nan 0.000 0.420 171 D N 1.189 121.708 120.400 0.199 0.000 2.437 171 D HA 0.163 4.803 4.640 -0.000 0.000 0.259 171 D C 0.845 177.008 176.300 -0.228 0.000 1.118 171 D CA -0.734 53.317 54.000 0.085 0.000 1.017 171 D CB 1.034 41.835 40.800 0.002 0.000 1.120 171 D HN 0.413 nan 8.370 nan 0.000 0.541 172 R N -0.455 119.636 120.500 -0.682 0.000 2.154 172 R HA -0.163 4.177 4.340 -0.000 0.000 0.248 172 R C 0.413 176.361 176.300 -0.586 0.000 1.155 172 R CA 1.625 56.961 56.100 -1.274 0.000 0.979 172 R CB -0.091 29.555 30.300 -1.090 0.000 0.869 172 R HN 0.473 nan 8.270 nan 0.000 0.452 173 D N -1.465 118.753 120.400 -0.304 0.000 2.349 173 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 173 D C 0.992 177.246 176.300 -0.077 0.000 1.029 173 D CA 1.051 54.956 54.000 -0.159 0.000 0.879 173 D CB 0.661 41.396 40.800 -0.109 0.000 0.906 173 D HN 0.549 nan 8.370 nan 0.000 0.528 174 G N 0.963 109.735 108.800 -0.048 0.000 2.176 174 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 174 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 174 G C 0.542 175.465 174.900 0.037 0.000 0.979 174 G CA 0.219 45.338 45.100 0.031 0.000 0.641 174 G HN 0.284 nan 8.290 nan 0.000 0.530 175 T N 2.716 117.282 114.554 0.020 0.000 2.888 175 T HA 0.430 4.780 4.350 -0.000 0.000 0.301 175 T C 0.764 175.501 174.700 0.062 0.000 1.001 175 T CA -0.072 62.045 62.100 0.029 0.000 1.147 175 T CB 0.870 69.745 68.868 0.012 0.000 0.931 175 T HN 0.264 nan 8.240 nan 0.000 0.541 176 R N 2.931 123.467 120.500 0.059 0.000 2.357 176 R HA 0.467 4.807 4.340 -0.000 0.000 0.296 176 R C -0.400 175.951 176.300 0.085 0.000 1.052 176 R CA -0.349 55.798 56.100 0.078 0.000 0.988 176 R CB 0.723 31.056 30.300 0.056 0.000 1.025 176 R HN 0.566 nan 8.270 nan 0.000 0.469 177 L N 2.435 123.735 121.223 0.128 0.000 2.362 177 L HA 0.273 4.613 4.340 -0.000 0.000 0.271 177 L C 0.179 177.145 176.870 0.160 0.000 1.002 177 L CA -1.231 53.685 54.840 0.127 0.000 0.818 177 L CB 2.039 44.177 42.059 0.132 0.000 1.298 177 L HN 0.618 nan 8.230 nan 0.000 0.420 178 D N 1.257 121.729 120.400 0.120 0.000 2.371 178 D HA 0.072 4.712 4.640 -0.000 0.000 0.242 178 D C 1.213 177.632 176.300 0.198 0.000 1.218 178 D CA -0.011 54.064 54.000 0.125 0.000 0.945 178 D CB 0.972 41.819 40.800 0.079 0.000 1.137 178 D HN 0.574 nan 8.370 nan 0.000 0.464 179 G N -0.052 108.865 108.800 0.195 0.000 2.529 179 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 179 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 179 G C 1.504 176.530 174.900 0.210 0.000 1.177 179 G CA 1.934 47.200 45.100 0.277 0.000 0.773 179 G HN 0.713 nan 8.290 nan 0.000 0.573 180 A N 0.546 123.434 122.820 0.113 0.000 1.902 180 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 180 A C 2.219 179.815 177.584 0.020 0.000 1.181 180 A CA 2.277 54.349 52.037 0.059 0.000 0.623 180 A CB -0.407 18.619 19.000 0.043 0.000 0.818 180 A HN 0.411 nan 8.150 nan 0.000 0.443 181 E N 0.193 120.410 120.200 0.027 0.000 2.150 181 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 181 E C 1.920 178.474 176.600 -0.076 0.000 0.985 181 E CA 1.353 57.748 56.400 -0.008 0.000 0.814 181 E CB -0.784 28.926 29.700 0.016 0.000 0.752 181 E HN 0.394 nan 8.360 nan 0.000 0.466 182 G N 0.810 109.547 108.800 -0.105 0.000 2.421 182 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 182 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 182 G C 1.587 176.105 174.900 -0.637 0.000 1.171 182 G CA 0.893 45.692 45.100 -0.501 0.000 0.775 182 G HN 0.315 nan 8.290 nan 0.000 0.543 183 L N -0.247 120.742 121.223 -0.390 0.000 2.083 183 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 183 L C 3.189 179.961 176.870 -0.162 0.000 1.083 183 L CA 1.082 55.776 54.840 -0.243 0.000 0.752 183 L CB -0.370 41.646 42.059 -0.072 0.000 0.899 183 L HN 0.172 nan 8.230 nan 0.000 0.433 184 R N -0.225 120.204 120.500 -0.119 0.000 2.062 184 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 184 R C 2.416 178.663 176.300 -0.089 0.000 1.136 184 R CA 1.186 57.239 56.100 -0.078 0.000 0.948 184 R CB -0.362 29.909 30.300 -0.049 0.000 0.845 184 R HN 0.112 nan 8.270 nan 0.000 0.430 185 R N 0.769 121.203 120.500 -0.110 0.000 2.091 185 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 185 R C 1.872 178.113 176.300 -0.098 0.000 1.136 185 R CA 2.061 58.105 56.100 -0.093 0.000 0.959 185 R CB -0.916 29.328 30.300 -0.094 0.000 0.856 185 R HN 0.321 nan 8.270 nan 0.000 0.437 186 G N -0.815 107.889 108.800 -0.159 0.000 3.042 186 G HA2 0.008 3.968 3.960 -0.000 0.000 0.212 186 G HA3 0.008 3.968 3.960 -0.000 0.000 0.212 186 G C -0.421 174.426 174.900 -0.088 0.000 1.166 186 G CA -0.027 45.000 45.100 -0.123 0.000 0.767 186 G HN 0.373 nan 8.290 nan 0.000 0.546 187 R N -0.955 119.493 120.500 -0.085 0.000 3.209 187 R HA -0.134 4.206 4.340 -0.000 0.000 0.252 187 R C -0.727 175.542 176.300 -0.052 0.000 0.958 187 R CA 0.343 56.410 56.100 -0.056 0.000 0.651 187 R CB -2.239 28.040 30.300 -0.035 0.000 1.142 187 R HN 0.343 nan 8.270 nan 0.000 0.441 188 L N 0.600 121.781 121.223 -0.071 0.000 2.330 188 L HA 0.440 4.780 4.340 -0.000 0.000 0.271 188 L C 0.568 177.424 176.870 -0.023 0.000 1.013 188 L CA -1.169 53.643 54.840 -0.047 0.000 0.816 188 L CB 1.644 43.661 42.059 -0.069 0.000 1.287 188 L HN 0.002 nan 8.230 nan 0.000 0.435 189 Q N 2.331 122.131 119.800 0.000 0.000 2.230 189 Q HA 0.405 4.744 4.340 -0.000 0.000 0.253 189 Q C -2.347 173.672 176.000 0.030 0.000 0.919 189 Q CA -1.998 53.812 55.803 0.012 0.000 0.908 189 Q CB 1.444 30.189 28.738 0.012 0.000 1.245 189 Q HN 0.296 nan 8.270 nan 0.000 0.437 190 P HA 0.001 nan 4.420 nan 0.000 0.268 190 P C -0.258 177.069 177.300 0.046 0.000 1.204 190 P CA -0.489 62.642 63.100 0.051 0.000 0.768 190 P CB 0.583 32.310 31.700 0.044 0.000 0.842 191 L N 3.168 124.422 121.223 0.051 0.000 2.455 191 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 191 L C -0.043 176.847 176.870 0.033 0.000 1.174 191 L CA 0.664 55.528 54.840 0.039 0.000 0.869 191 L CB -0.431 41.648 42.059 0.033 0.000 1.130 191 L HN 0.301 nan 8.230 nan 0.000 0.474 192 D N 4.475 124.899 120.400 0.039 0.000 2.471 192 D HA 0.247 4.887 4.640 -0.000 0.000 0.245 192 D C -0.142 176.195 176.300 0.062 0.000 1.116 192 D CA -0.182 53.843 54.000 0.043 0.000 0.853 192 D CB 0.725 41.554 40.800 0.049 0.000 1.123 192 D HN 0.607 nan 8.370 nan 0.000 0.540 193 L N 3.126 124.372 121.223 0.038 0.000 2.783 193 L HA 0.116 4.456 4.340 -0.000 0.000 0.236 193 L C 1.885 178.778 176.870 0.039 0.000 1.225 193 L CA -0.122 54.746 54.840 0.047 0.000 1.026 193 L CB -0.206 41.861 42.059 0.014 0.000 1.314 193 L HN 0.401 nan 8.230 nan 0.000 0.489 194 S N -2.089 113.618 115.700 0.012 0.000 2.442 194 S HA -0.214 4.256 4.470 -0.000 0.000 0.236 194 S C 1.424 175.944 174.600 -0.134 0.000 1.007 194 S CA 0.936 59.088 58.200 -0.080 0.000 0.965 194 S CB -0.473 62.639 63.200 -0.148 0.000 0.773 194 S HN 0.546 nan 8.310 nan 0.000 0.504 195 H N 1.550 120.613 119.070 -0.011 0.000 2.556 195 H HA 0.358 4.914 4.556 -0.000 0.000 0.268 195 H C 0.559 175.878 175.328 -0.015 0.000 0.996 195 H CA 0.340 56.378 56.048 -0.017 0.000 1.157 195 H CB -0.137 29.611 29.762 -0.023 0.000 1.355 195 H HN 0.353 nan 8.280 nan 0.000 0.597 196 R N 0.876 121.422 120.500 0.076 0.000 3.651 196 R HA -0.136 4.204 4.340 -0.000 0.000 0.292 196 R C -0.712 175.634 176.300 0.076 0.000 1.161 196 R CA 0.855 56.991 56.100 0.060 0.000 0.787 196 R CB -1.764 28.562 30.300 0.044 0.000 1.249 196 R HN 0.552 nan 8.270 nan 0.000 0.476 197 D N -0.936 119.512 120.400 0.080 0.000 2.587 197 D HA 0.226 4.866 4.640 -0.000 0.000 0.233 197 D C 1.208 177.546 176.300 0.063 0.000 1.213 197 D CA 0.341 54.383 54.000 0.070 0.000 0.827 197 D CB 0.355 41.181 40.800 0.043 0.000 1.006 197 D HN 0.297 nan 8.370 nan 0.000 0.490 198 A N 0.419 123.273 122.820 0.057 0.000 1.933 198 A HA -0.105 4.214 4.320 -0.000 0.000 0.218 198 A C 1.925 179.526 177.584 0.028 0.000 1.175 198 A CA 0.761 52.811 52.037 0.023 0.000 0.628 198 A CB -0.489 18.509 19.000 -0.002 0.000 0.814 198 A HN 0.282 nan 8.150 nan 0.000 0.444 199 L N -0.585 120.688 121.223 0.084 0.000 2.549 199 L HA -0.011 4.329 4.340 -0.000 0.000 0.229 199 L C 2.591 179.518 176.870 0.096 0.000 1.158 199 L CA 1.182 56.085 54.840 0.105 0.000 0.842 199 L CB -0.503 41.677 42.059 0.201 0.000 0.952 199 L HN 0.392 nan 8.230 nan 0.000 0.452 200 A N -1.285 121.586 122.820 0.086 0.000 2.072 200 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 200 A C 2.115 179.718 177.584 0.032 0.000 1.156 200 A CA 0.923 53.004 52.037 0.073 0.000 0.701 200 A CB -0.184 18.855 19.000 0.067 0.000 0.816 200 A HN 0.387 nan 8.150 nan 0.000 0.458 201 L N -1.108 120.123 121.223 0.012 0.000 2.388 201 L HA 0.129 4.469 4.340 -0.000 0.000 0.209 201 L C 0.079 176.930 176.870 -0.032 0.000 1.061 201 L CA 0.251 55.083 54.840 -0.013 0.000 0.834 201 L CB 0.319 42.364 42.059 -0.024 0.000 1.029 201 L HN 0.038 nan 8.230 nan 0.000 0.473 202 V N 2.127 122.015 119.914 -0.044 0.000 2.221 202 V HA 0.360 4.480 4.120 -0.000 0.000 0.258 202 V C -0.463 175.604 176.094 -0.045 0.000 1.179 202 V CA -0.168 62.084 62.300 -0.080 0.000 1.022 202 V CB -0.294 31.438 31.823 -0.152 0.000 1.228 202 V HN 0.339 nan 8.190 nan 0.000 0.487 203 N N 1.990 120.677 118.700 -0.022 0.000 3.545 203 N HA 0.492 5.232 4.740 -0.000 0.000 0.227 203 N C -0.142 175.387 175.510 0.030 0.000 1.380 203 N CA 0.596 53.655 53.050 0.014 0.000 0.892 203 N CB 2.232 40.749 38.487 0.050 0.000 1.441 203 N HN 0.764 nan 8.380 nan 0.000 0.497 204 G N -0.033 108.816 108.800 0.082 0.000 2.693 204 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 204 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 204 G C 0.183 175.124 174.900 0.069 0.000 1.354 204 G CA 0.419 45.571 45.100 0.087 0.000 0.873 204 G HN 1.207 nan 8.290 nan 0.000 0.562 205 T N -2.963 111.619 114.554 0.046 0.000 3.269 205 T HA 0.562 4.912 4.350 -0.000 0.000 0.269 205 T C 1.829 176.532 174.700 0.006 0.000 0.993 205 T CA 0.977 63.096 62.100 0.032 0.000 0.909 205 T CB 0.445 69.331 68.868 0.029 0.000 1.115 205 T HN 0.850 nan 8.240 nan 0.000 0.543 206 S N 1.718 117.418 115.700 -0.001 0.000 2.374 206 S HA -0.086 4.383 4.470 -0.000 0.000 0.227 206 S C 2.468 177.057 174.600 -0.017 0.000 1.037 206 S CA 1.333 59.523 58.200 -0.016 0.000 1.024 206 S CB -0.595 62.593 63.200 -0.022 0.000 0.861 206 S HN 0.836 nan 8.310 nan 0.000 0.456 207 A N 2.638 125.451 122.820 -0.011 0.000 1.855 207 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 207 A C 2.278 179.863 177.584 0.000 0.000 1.191 207 A CA 1.770 53.801 52.037 -0.010 0.000 0.613 207 A CB -0.807 18.189 19.000 -0.007 0.000 0.829 207 A HN 0.661 nan 8.150 nan 0.000 0.442 208 M N -1.484 118.121 119.600 0.008 0.000 2.213 208 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 208 M C 1.803 178.109 176.300 0.010 0.000 1.062 208 M CA 2.305 57.614 55.300 0.016 0.000 1.105 208 M CB -1.315 31.297 32.600 0.020 0.000 1.385 208 M HN 0.168 nan 8.290 nan 0.000 0.417 209 T N 1.177 115.728 114.554 -0.005 0.000 2.777 209 T HA 0.004 4.354 4.350 -0.000 0.000 0.266 209 T C 1.971 176.668 174.700 -0.005 0.000 1.040 209 T CA 1.677 63.766 62.100 -0.018 0.000 1.141 209 T CB -0.740 68.109 68.868 -0.032 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.263 110.058 108.800 -0.009 0.000 2.418 210 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 210 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 210 G C 1.531 176.444 174.900 0.020 0.000 1.158 210 G CA 0.467 45.562 45.100 -0.009 0.000 0.771 210 G HN 0.482 nan 8.290 nan 0.000 0.545 211 I N 1.414 122.001 120.570 0.028 0.000 2.179 211 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 211 I C 3.282 179.452 176.117 0.088 0.000 1.088 211 I CA 1.060 62.391 61.300 0.053 0.000 1.357 211 I CB -0.222 37.807 38.000 0.048 0.000 1.051 211 I HN 0.238 nan 8.210 nan 0.000 0.409 212 A N 1.238 124.114 122.820 0.092 0.000 1.933 212 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 212 A C 2.255 179.951 177.584 0.188 0.000 1.175 212 A CA 1.781 53.914 52.037 0.161 0.000 0.628 212 A CB -0.803 18.265 19.000 0.113 0.000 0.814 212 A HN 0.522 nan 8.150 nan 0.000 0.444 213 L N -1.923 119.372 121.223 0.120 0.000 2.141 213 L HA 0.010 4.350 4.340 -0.000 0.000 0.209 213 L C 1.961 178.946 176.870 0.193 0.000 1.094 213 L CA 1.629 56.549 54.840 0.134 0.000 0.763 213 L CB -1.026 41.078 42.059 0.074 0.000 0.908 213 L HN 0.002 nan 8.230 nan 0.000 0.437 214 V N 0.863 120.887 119.914 0.183 0.000 2.453 214 V HA -0.159 3.960 4.120 -0.000 0.000 0.247 214 V C 2.442 178.662 176.094 0.209 0.000 1.048 214 V CA 1.662 64.109 62.300 0.245 0.000 1.049 214 V CB -0.976 30.954 31.823 0.179 0.000 0.672 214 V HN 0.505 nan 8.190 nan 0.000 0.457 215 N N 0.931 119.726 118.700 0.159 0.000 2.120 215 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 215 N C 1.930 177.489 175.510 0.081 0.000 1.024 215 N CA 1.696 54.814 53.050 0.114 0.000 0.852 215 N CB -0.578 37.959 38.487 0.083 0.000 1.003 215 N HN 0.472 nan 8.380 nan 0.000 0.424 216 A N 0.367 123.257 122.820 0.117 0.000 1.883 216 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 216 A C 2.129 179.734 177.584 0.034 0.000 1.186 216 A CA 1.944 54.031 52.037 0.083 0.000 0.624 216 A CB -0.983 18.132 19.000 0.193 0.000 0.822 216 A HN 0.461 nan 8.150 nan 0.000 0.444 217 H N -0.283 118.762 119.070 -0.041 0.000 2.321 217 H HA 0.068 4.624 4.556 -0.000 0.000 0.300 217 H C 2.216 177.471 175.328 -0.121 0.000 1.087 217 H CA 1.919 57.857 56.048 -0.183 0.000 1.319 217 H CB -0.248 29.263 29.762 -0.419 0.000 1.379 217 H HN 0.397 nan 8.280 nan 0.000 0.501 218 A N -0.397 122.454 122.820 0.052 0.000 1.902 218 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 218 A C 2.701 180.281 177.584 -0.007 0.000 1.181 218 A CA 1.475 53.549 52.037 0.061 0.000 0.623 218 A CB -1.217 17.852 19.000 0.117 0.000 0.818 218 A HN 0.645 nan 8.150 nan 0.000 0.443 219 C N -1.319 117.991 119.300 0.015 0.000 2.422 219 C HA -0.032 4.428 4.460 -0.000 0.000 0.279 219 C C 2.790 177.765 174.990 -0.025 0.000 1.305 219 C CA 1.143 60.212 59.018 0.084 0.000 1.757 219 C CB -1.307 26.507 27.740 0.123 0.000 1.962 219 C HN 0.734 nan 8.230 nan 0.000 0.499 220 R N -0.126 120.258 120.500 -0.192 0.000 2.073 220 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 220 R C 2.258 178.357 176.300 -0.336 0.000 1.134 220 R CA 1.571 57.475 56.100 -0.327 0.000 0.952 220 R CB -0.430 29.576 30.300 -0.490 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.579 119.514 119.070 -0.226 0.000 2.326 221 H HA -0.092 4.464 4.556 -0.000 0.000 0.301 221 H C 2.195 177.508 175.328 -0.025 0.000 1.081 221 H CA 1.652 57.616 56.048 -0.141 0.000 1.334 221 H CB -0.227 29.457 29.762 -0.129 0.000 1.385 221 H HN 0.246 nan 8.280 nan 0.000 0.504 222 L N -0.162 121.037 121.223 -0.041 0.000 2.131 222 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 222 L C 2.741 179.449 176.870 -0.270 0.000 1.092 222 L CA 1.046 55.680 54.840 -0.344 0.000 0.759 222 L CB -0.752 40.734 42.059 -0.954 0.000 0.903 222 L HN 0.301 nan 8.230 nan 0.000 0.435 223 G N -0.119 108.657 108.800 -0.041 0.000 2.408 223 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 223 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 223 G C 1.387 176.365 174.900 0.131 0.000 1.150 223 G CA 0.460 45.710 45.100 0.250 0.000 0.776 223 G HN 0.314 nan 8.290 nan 0.000 0.542 224 N N 0.041 118.711 118.700 -0.050 0.000 2.244 224 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 224 N C 1.805 177.221 175.510 -0.157 0.000 1.016 224 N CA 0.787 53.752 53.050 -0.141 0.000 0.866 224 N CB -0.298 38.044 38.487 -0.242 0.000 0.980 224 N HN 0.587 nan 8.380 nan 0.000 0.430 225 W N 1.510 122.762 121.300 -0.080 0.000 2.418 225 W HA 0.103 4.763 4.660 -0.000 0.000 0.292 225 W C 2.484 178.975 176.519 -0.046 0.000 1.213 225 W CA 1.006 58.300 57.345 -0.085 0.000 1.283 225 W CB -0.368 28.997 29.460 -0.158 0.000 1.119 225 W HN 0.012 nan 8.180 nan 0.000 0.542 226 A N -0.151 122.788 122.820 0.199 0.000 1.908 226 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 226 A C 1.985 179.656 177.584 0.144 0.000 1.181 226 A CA 2.125 54.292 52.037 0.216 0.000 0.627 226 A CB -1.089 18.131 19.000 0.368 0.000 0.818 226 A HN 0.101 nan 8.150 nan 0.000 0.445 227 V N -0.396 119.590 119.914 0.119 0.000 2.307 227 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 227 V C 3.056 179.134 176.094 -0.028 0.000 1.045 227 V CA 1.844 64.158 62.300 0.023 0.000 1.024 227 V CB -1.101 30.743 31.823 0.035 0.000 0.651 227 V HN 0.612 nan 8.190 nan 0.000 0.449 228 A N -0.332 122.466 122.820 -0.036 0.000 1.933 228 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 228 A C 2.179 179.785 177.584 0.036 0.000 1.175 228 A CA 1.703 53.707 52.037 -0.054 0.000 0.628 228 A CB -0.472 18.412 19.000 -0.192 0.000 0.814 228 A HN 0.513 nan 8.150 nan 0.000 0.444 229 L N -1.163 120.121 121.223 0.102 0.000 2.131 229 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 229 L C 2.696 179.627 176.870 0.101 0.000 1.087 229 L CA 1.485 56.399 54.840 0.123 0.000 0.767 229 L CB -0.887 41.264 42.059 0.154 0.000 0.917 229 L HN 0.303 nan 8.230 nan 0.000 0.441 230 T N 0.236 114.840 114.554 0.084 0.000 2.746 230 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 230 T C 2.047 176.846 174.700 0.165 0.000 1.039 230 T CA 1.420 63.578 62.100 0.098 0.000 1.142 230 T CB -0.167 68.708 68.868 0.011 0.000 0.866 230 T HN 0.438 nan 8.240 nan 0.000 0.444 231 A N 1.166 124.047 122.820 0.102 0.000 1.902 231 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 231 A C 2.215 179.914 177.584 0.191 0.000 1.181 231 A CA 1.233 53.392 52.037 0.203 0.000 0.623 231 A CB -0.779 18.273 19.000 0.088 0.000 0.818 231 A HN 0.402 nan 8.150 nan 0.000 0.443 232 L N -0.764 120.531 121.223 0.119 0.000 2.141 232 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 232 L C 2.196 179.121 176.870 0.091 0.000 1.094 232 L CA 1.745 56.640 54.840 0.093 0.000 0.763 232 L CB -0.647 41.458 42.059 0.076 0.000 0.908 232 L HN 0.379 nan 8.230 nan 0.000 0.437 233 L N -0.059 121.228 121.223 0.107 0.000 2.042 233 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 233 L C 2.485 179.412 176.870 0.095 0.000 1.076 233 L CA 2.110 57.004 54.840 0.091 0.000 0.749 233 L CB -1.022 41.101 42.059 0.106 0.000 0.893 233 L HN 0.257 nan 8.230 nan 0.000 0.432 234 A N -0.839 122.071 122.820 0.151 0.000 1.933 234 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 234 A C 2.133 179.739 177.584 0.036 0.000 1.175 234 A CA 1.804 53.897 52.037 0.094 0.000 0.628 234 A CB -0.609 18.480 19.000 0.148 0.000 0.814 234 A HN 0.654 nan 8.150 nan 0.000 0.444 235 E N -1.100 119.135 120.200 0.059 0.000 2.274 235 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 235 E C 1.643 178.253 176.600 0.018 0.000 0.996 235 E CA 0.938 57.356 56.400 0.030 0.000 0.840 235 E CB -0.232 29.493 29.700 0.042 0.000 0.772 235 E HN 0.688 nan 8.360 nan 0.000 0.491 236 C N 0.082 119.396 119.300 0.023 0.000 2.634 236 C HA 0.159 4.619 4.460 -0.000 0.000 0.268 236 C C 1.799 176.791 174.990 0.003 0.000 1.322 236 C CA 0.037 59.062 59.018 0.012 0.000 1.737 236 C CB -0.239 27.509 27.740 0.012 0.000 1.976 236 C HN 0.326 nan 8.230 nan 0.000 0.547 237 L N -0.304 120.921 121.223 0.003 0.000 3.122 237 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 237 L C 0.451 177.308 176.870 -0.020 0.000 1.222 237 L CA -0.055 54.781 54.840 -0.006 0.000 1.028 237 L CB -0.250 41.810 42.059 0.002 0.000 1.386 237 L HN 0.216 nan 8.230 nan 0.000 0.578 238 R N 0.819 121.302 120.500 -0.028 0.000 3.416 238 R HA -0.148 4.192 4.340 -0.000 0.000 0.263 238 R C 0.705 176.959 176.300 -0.078 0.000 1.053 238 R CA 0.412 56.484 56.100 -0.048 0.000 0.705 238 R CB -1.840 28.437 30.300 -0.038 0.000 1.124 238 R HN 0.502 nan 8.270 nan 0.000 0.444 239 G N 0.603 109.345 108.800 -0.097 0.000 2.554 239 G HA2 0.163 4.123 3.960 -0.000 0.000 0.238 239 G HA3 0.163 4.123 3.960 -0.000 0.000 0.238 239 G C 0.012 174.751 174.900 -0.269 0.000 1.259 239 G CA -0.509 44.489 45.100 -0.171 0.000 0.843 239 G HN 0.236 nan 8.290 nan 0.000 0.582 240 R N 0.413 120.725 120.500 -0.314 0.000 2.221 240 R HA 0.240 4.580 4.340 -0.000 0.000 0.327 240 R C 1.564 177.535 176.300 -0.549 0.000 1.033 240 R CA 0.210 56.115 56.100 -0.324 0.000 0.887 240 R CB 0.901 31.078 30.300 -0.205 0.000 1.057 240 R HN 0.702 nan 8.270 nan 0.000 0.455 241 T N -1.200 113.078 114.554 -0.460 0.000 3.085 241 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 241 T C 1.391 175.936 174.700 -0.259 0.000 1.127 241 T CA 0.834 62.647 62.100 -0.477 0.000 1.103 241 T CB -0.031 68.711 68.868 -0.210 0.000 0.921 241 T HN 0.741 nan 8.240 nan 0.000 0.510 242 E N 1.717 121.805 120.200 -0.187 0.000 2.265 242 E HA 0.003 4.353 4.350 -0.000 0.000 0.196 242 E C 2.222 178.792 176.600 -0.050 0.000 0.996 242 E CA 0.868 57.221 56.400 -0.078 0.000 0.832 242 E CB -0.540 29.130 29.700 -0.050 0.000 0.756 242 E HN 0.602 nan 8.360 nan 0.000 0.491 243 A N 0.867 123.610 122.820 -0.128 0.000 2.067 243 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 243 A C 1.063 178.779 177.584 0.220 0.000 1.158 243 A CA 0.711 52.742 52.037 -0.011 0.000 0.661 243 A CB -0.626 18.333 19.000 -0.067 0.000 0.801 243 A HN 0.493 nan 8.150 nan 0.000 0.452 244 W N -0.192 121.108 121.300 -0.001 0.000 3.330 244 W HA 0.595 5.255 4.660 -0.000 0.000 0.348 244 W C 0.861 177.383 176.519 0.004 0.000 1.205 244 W CA -1.056 56.290 57.345 0.002 0.000 1.841 244 W CB -1.362 28.101 29.460 0.005 0.000 1.084 244 W HN 0.346 nan 8.180 nan 0.000 0.665 245 A N 0.868 123.798 122.820 0.184 0.000 2.498 245 A HA 0.422 4.742 4.320 -0.000 0.000 0.239 245 A C 1.699 179.339 177.584 0.093 0.000 1.068 245 A CA 0.690 52.794 52.037 0.111 0.000 0.766 245 A CB 0.556 19.594 19.000 0.064 0.000 1.003 245 A HN 0.251 nan 8.150 nan 0.000 0.497 246 A N 2.595 125.458 122.820 0.072 0.000 1.940 246 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 246 A C 2.384 179.993 177.584 0.041 0.000 1.176 246 A CA 2.313 54.382 52.037 0.053 0.000 0.631 246 A CB -0.999 18.026 19.000 0.042 0.000 0.814 246 A HN 1.783 nan 8.150 nan 0.000 0.446 247 A N -0.286 122.555 122.820 0.036 0.000 1.948 247 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 247 A C 2.164 179.762 177.584 0.025 0.000 1.177 247 A CA 1.599 53.651 52.037 0.026 0.000 0.636 247 A CB -0.564 18.449 19.000 0.022 0.000 0.815 247 A HN 0.500 nan 8.150 nan 0.000 0.449 248 L N -0.600 120.644 121.223 0.035 0.000 2.093 248 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 248 L C 2.854 179.742 176.870 0.030 0.000 1.085 248 L CA 1.412 56.272 54.840 0.034 0.000 0.755 248 L CB -0.397 41.691 42.059 0.049 0.000 0.904 248 L HN 0.360 nan 8.230 nan 0.000 0.435 249 S N -0.281 115.442 115.700 0.038 0.000 2.368 249 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 249 S C 1.476 176.084 174.600 0.014 0.000 1.030 249 S CA 1.381 59.600 58.200 0.033 0.000 0.999 249 S CB -0.311 62.912 63.200 0.038 0.000 0.844 249 S HN 0.451 nan 8.310 nan 0.000 0.459 250 D N 1.413 121.820 120.400 0.011 0.000 2.218 250 D HA -0.021 4.618 4.640 -0.000 0.000 0.204 250 D C 1.710 178.001 176.300 -0.014 0.000 0.976 250 D CA 0.664 54.663 54.000 -0.002 0.000 0.853 250 D CB -0.254 40.547 40.800 0.003 0.000 0.939 250 D HN 0.342 nan 8.370 nan 0.000 0.481 251 L N -0.524 120.694 121.223 -0.009 0.000 2.313 251 L HA 0.020 4.360 4.340 -0.000 0.000 0.214 251 L C 1.578 178.428 176.870 -0.033 0.000 1.119 251 L CA 0.516 55.346 54.840 -0.016 0.000 0.809 251 L CB 0.160 42.215 42.059 -0.006 0.000 0.933 251 L HN -0.174 nan 8.230 nan 0.000 0.449 252 R N 0.764 121.243 120.500 -0.034 0.000 2.644 252 R HA 0.187 4.527 4.340 -0.000 0.000 0.271 252 R C -2.192 174.050 176.300 -0.097 0.000 1.687 252 R CA -1.345 54.713 56.100 -0.069 0.000 1.655 252 R CB 0.866 31.167 30.300 0.002 0.000 1.285 252 R HN -0.142 nan 8.270 nan 0.000 0.643 253 P HA -0.091 nan 4.420 nan 0.000 0.297 253 P C -0.652 176.581 177.300 -0.111 0.000 1.544 253 P CA 0.264 63.305 63.100 -0.099 0.000 0.798 253 P CB -0.366 31.284 31.700 -0.082 0.000 1.757 254 H N 0.848 119.919 119.070 0.001 0.000 2.848 254 H HA 0.076 4.632 4.556 -0.000 0.000 0.317 254 H C -1.290 174.050 175.328 0.020 0.000 1.046 254 H CA -1.380 54.671 56.048 0.005 0.000 1.470 254 H CB 0.469 30.228 29.762 -0.004 0.000 1.483 254 H HN 0.093 nan 8.280 nan 0.000 0.548 255 P HA -0.165 nan 4.420 nan 0.000 0.215 255 P C 1.647 179.021 177.300 0.123 0.000 1.157 255 P CA 1.764 64.925 63.100 0.103 0.000 0.874 255 P CB 0.080 31.835 31.700 0.092 0.000 0.790 256 G N -0.480 108.411 108.800 0.151 0.000 2.442 256 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 256 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 256 G C 1.674 176.671 174.900 0.162 0.000 1.141 256 G CA 0.773 45.993 45.100 0.200 0.000 0.763 256 G HN 0.335 nan 8.290 nan 0.000 0.554 257 Q N 0.121 119.982 119.800 0.102 0.000 2.049 257 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 257 Q C 2.469 178.503 176.000 0.057 0.000 0.971 257 Q CA 1.504 57.338 55.803 0.052 0.000 0.833 257 Q CB -0.211 28.572 28.738 0.074 0.000 0.896 257 Q HN 0.504 nan 8.270 nan 0.000 0.434 258 K N 0.176 120.619 120.400 0.073 0.000 2.063 258 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 258 K C 1.658 178.290 176.600 0.052 0.000 1.048 258 K CA 1.918 58.237 56.287 0.053 0.000 0.928 258 K CB -0.176 32.352 32.500 0.047 0.000 0.713 258 K HN 0.205 nan 8.250 nan 0.000 0.442 259 D N -0.158 120.289 120.400 0.078 0.000 2.097 259 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 259 D C 1.721 178.077 176.300 0.094 0.000 0.984 259 D CA 1.512 55.558 54.000 0.076 0.000 0.826 259 D CB -0.073 40.781 40.800 0.089 0.000 0.973 259 D HN 0.328 nan 8.370 nan 0.000 0.460 260 A N 0.588 123.503 122.820 0.158 0.000 1.877 260 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 260 A C 2.400 179.944 177.584 -0.066 0.000 1.186 260 A CA 2.408 54.516 52.037 0.119 0.000 0.620 260 A CB -1.192 17.803 19.000 -0.008 0.000 0.822 260 A HN 0.325 nan 8.150 nan 0.000 0.443 261 A N -0.205 122.573 122.820 -0.071 0.000 1.902 261 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 261 A C 2.517 180.078 177.584 -0.040 0.000 1.181 261 A CA 2.225 54.206 52.037 -0.094 0.000 0.623 261 A CB -1.047 17.957 19.000 0.007 0.000 0.818 261 A HN 1.093 nan 8.150 nan 0.000 0.443 262 A N -0.285 122.533 122.820 -0.003 0.000 1.902 262 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 262 A C 2.242 179.819 177.584 -0.011 0.000 1.181 262 A CA 1.635 53.678 52.037 0.009 0.000 0.623 262 A CB -0.430 18.578 19.000 0.013 0.000 0.818 262 A HN 0.545 nan 8.150 nan 0.000 0.443 263 R N -0.646 119.834 120.500 -0.032 0.000 2.092 263 R HA 0.043 4.383 4.340 -0.000 0.000 0.231 263 R C 2.041 178.290 176.300 -0.085 0.000 1.119 263 R CA 1.216 57.286 56.100 -0.050 0.000 0.970 263 R CB -0.435 29.841 30.300 -0.041 0.000 0.864 263 R HN 0.500 nan 8.270 nan 0.000 0.440 264 L N 0.205 121.323 121.223 -0.174 0.000 2.017 264 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 264 L C 2.539 179.390 176.870 -0.032 0.000 1.073 264 L CA 1.438 56.085 54.840 -0.321 0.000 0.745 264 L CB -0.335 41.160 42.059 -0.941 0.000 0.894 264 L HN 0.157 nan 8.230 nan 0.000 0.432 265 R N -0.191 120.352 120.500 0.071 0.000 2.091 265 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 265 R C 2.370 178.730 176.300 0.100 0.000 1.136 265 R CA 1.399 57.603 56.100 0.174 0.000 0.959 265 R CB -0.525 29.859 30.300 0.139 0.000 0.856 265 R HN 0.370 nan 8.270 nan 0.000 0.437 266 A N 1.228 124.074 122.820 0.043 0.000 1.930 266 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 266 A C 2.034 179.630 177.584 0.020 0.000 1.175 266 A CA 1.003 53.053 52.037 0.022 0.000 0.627 266 A CB -0.232 18.765 19.000 -0.004 0.000 0.815 266 A HN 0.097 nan 8.150 nan 0.000 0.443 267 R N -0.155 120.353 120.500 0.014 0.000 2.096 267 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 267 R C 1.886 178.218 176.300 0.054 0.000 1.127 267 R CA 1.752 57.860 56.100 0.013 0.000 0.968 267 R CB -1.301 28.996 30.300 -0.005 0.000 0.861 267 R HN 0.668 nan 8.270 nan 0.000 0.440 268 V N -0.858 119.120 119.914 0.106 0.000 3.596 268 V HA 0.122 4.242 4.120 -0.000 0.000 0.289 268 V C 0.207 176.343 176.094 0.071 0.000 1.336 268 V CA -0.624 61.743 62.300 0.111 0.000 1.137 268 V CB -0.430 31.505 31.823 0.187 0.000 0.966 268 V HN -0.108 nan 8.190 nan 0.000 0.428 269 D N 1.477 121.910 120.400 0.056 0.000 2.458 269 D HA 0.417 5.057 4.640 -0.000 0.000 0.243 269 D C 1.463 177.777 176.300 0.023 0.000 1.146 269 D CA 1.877 55.899 54.000 0.036 0.000 0.877 269 D CB 0.723 41.541 40.800 0.028 0.000 1.176 269 D HN 0.551 nan 8.370 nan 0.000 0.461 270 G N 2.369 111.178 108.800 0.015 0.000 2.199 270 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 270 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 270 G C 0.487 175.392 174.900 0.007 0.000 0.982 270 G CA 0.426 45.532 45.100 0.009 0.000 0.632 270 G HN 0.805 nan 8.290 nan 0.000 0.529 271 S N 0.183 115.889 115.700 0.010 0.000 2.565 271 S HA 0.656 5.126 4.470 -0.000 0.000 0.276 271 S C 1.228 175.822 174.600 -0.011 0.000 1.326 271 S CA 0.813 59.016 58.200 0.006 0.000 1.045 271 S CB 1.316 64.526 63.200 0.016 0.000 0.918 271 S HN 1.621 nan 8.310 nan 0.000 0.505 272 A N 5.151 127.963 122.820 -0.013 0.000 2.470 272 A HA 0.343 4.663 4.320 -0.000 0.000 0.251 272 A C 1.589 179.155 177.584 -0.030 0.000 1.245 272 A CA -0.364 51.658 52.037 -0.025 0.000 0.932 272 A CB 0.109 19.100 19.000 -0.016 0.000 1.037 272 A HN 0.732 nan 8.150 nan 0.000 0.522 273 R N -0.049 120.436 120.500 -0.024 0.000 2.362 273 R HA 0.134 4.474 4.340 -0.000 0.000 0.227 273 R C 0.451 176.726 176.300 -0.043 0.000 0.905 273 R CA 0.681 56.766 56.100 -0.025 0.000 1.067 273 R CB -0.064 30.231 30.300 -0.008 0.000 1.078 273 R HN 0.476 nan 8.270 nan 0.000 0.516 274 V N -1.712 118.166 119.914 -0.060 0.000 2.713 274 V HA 0.499 4.619 4.120 -0.000 0.000 0.307 274 V C 0.447 176.460 176.094 -0.134 0.000 1.052 274 V CA -1.034 61.208 62.300 -0.098 0.000 0.967 274 V CB 2.249 34.010 31.823 -0.105 0.000 1.019 274 V HN -0.272 nan 8.190 nan 0.000 0.459 275 V N 4.442 124.261 119.914 -0.159 0.000 2.432 275 V HA 0.418 4.538 4.120 -0.000 0.000 0.271 275 V C 1.112 177.080 176.094 -0.211 0.000 1.046 275 V CA -0.125 62.065 62.300 -0.183 0.000 0.945 275 V CB 0.632 32.380 31.823 -0.125 0.000 0.992 275 V HN 0.950 nan 8.190 nan 0.000 0.471 276 R N 1.593 121.924 120.500 -0.281 0.000 2.365 276 R HA 0.212 4.552 4.340 -0.000 0.000 0.223 276 R C 0.083 176.306 176.300 -0.129 0.000 0.899 276 R CA -0.181 55.798 56.100 -0.201 0.000 1.059 276 R CB 0.243 30.439 30.300 -0.174 0.000 1.086 276 R HN 0.761 nan 8.270 nan 0.000 0.522 277 H N 0.299 119.342 119.070 -0.044 0.000 2.848 277 H HA 0.071 4.627 4.556 -0.000 0.000 0.341 277 H C -0.224 175.082 175.328 -0.038 0.000 1.060 277 H CA -0.474 55.553 56.048 -0.034 0.000 1.444 277 H CB 1.122 30.866 29.762 -0.030 0.000 1.446 277 H HN -0.184 nan 8.280 nan 0.000 0.583 278 V N 6.104 126.080 119.914 0.105 0.000 2.408 278 V HA -0.058 4.062 4.120 -0.000 0.000 0.267 278 V C 1.734 177.849 176.094 0.034 0.000 1.047 278 V CA 0.059 62.384 62.300 0.042 0.000 0.937 278 V CB 0.153 31.992 31.823 0.027 0.000 0.999 278 V HN 0.755 nan 8.190 nan 0.000 0.472 279 I N 3.203 123.785 120.570 0.020 0.000 2.335 279 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 279 I C 2.072 178.187 176.117 -0.003 0.000 1.129 279 I CA 1.944 63.248 61.300 0.008 0.000 1.402 279 I CB -0.266 37.736 38.000 0.004 0.000 1.069 279 I HN 0.560 nan 8.210 nan 0.000 0.424 280 A N 0.879 123.698 122.820 -0.001 0.000 2.216 280 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 280 A C 2.082 179.661 177.584 -0.008 0.000 1.160 280 A CA 0.961 52.996 52.037 -0.004 0.000 0.725 280 A CB -0.524 18.475 19.000 -0.001 0.000 0.784 280 A HN 0.502 nan 8.150 nan 0.000 0.472 281 E N -0.023 120.171 120.200 -0.010 0.000 2.285 281 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 281 E C 1.084 177.666 176.600 -0.030 0.000 0.997 281 E CA 0.203 56.592 56.400 -0.017 0.000 0.845 281 E CB -0.140 29.549 29.700 -0.018 0.000 0.782 281 E HN 0.625 nan 8.360 nan 0.000 0.491 282 R N 1.576 122.056 120.500 -0.035 0.000 2.340 282 R HA 0.139 4.478 4.340 -0.000 0.000 0.300 282 R C -0.388 175.896 176.300 -0.027 0.000 1.069 282 R CA -0.142 55.933 56.100 -0.040 0.000 0.984 282 R CB 0.507 30.779 30.300 -0.046 0.000 1.003 282 R HN -0.149 nan 8.270 nan 0.000 0.459 283 R N 5.092 125.576 120.500 -0.026 0.000 2.255 283 R HA 0.297 4.637 4.340 -0.000 0.000 0.326 283 R C -0.476 175.813 176.300 -0.019 0.000 0.986 283 R CA -0.623 55.465 56.100 -0.019 0.000 0.847 283 R CB 1.247 31.536 30.300 -0.017 0.000 1.111 283 R HN 0.474 nan 8.270 nan 0.000 0.452 284 L N 2.799 124.013 121.223 -0.015 0.000 2.350 284 L HA 0.284 4.623 4.340 -0.000 0.000 0.275 284 L C 0.260 177.123 176.870 -0.011 0.000 1.099 284 L CA -0.289 54.543 54.840 -0.013 0.000 0.808 284 L CB 0.701 42.754 42.059 -0.011 0.000 1.149 284 L HN 0.434 nan 8.230 nan 0.000 0.442 285 D N 0.685 121.079 120.400 -0.011 0.000 2.326 285 D HA 0.306 4.946 4.640 -0.000 0.000 0.248 285 D C 0.647 176.942 176.300 -0.008 0.000 1.001 285 D CA -0.355 53.639 54.000 -0.010 0.000 0.961 285 D CB 2.064 42.858 40.800 -0.010 0.000 1.183 285 D HN 0.565 nan 8.370 nan 0.000 0.502 286 A N 1.041 123.857 122.820 -0.007 0.000 1.948 286 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 286 A C 1.949 179.529 177.584 -0.006 0.000 1.177 286 A CA 2.246 54.279 52.037 -0.006 0.000 0.636 286 A CB -1.026 17.971 19.000 -0.005 0.000 0.815 286 A HN 0.649 nan 8.150 nan 0.000 0.449 287 G N -0.677 108.119 108.800 -0.006 0.000 2.470 287 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 287 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 287 G C 0.981 175.877 174.900 -0.007 0.000 1.121 287 G CA 1.084 46.180 45.100 -0.006 0.000 0.766 287 G HN 0.526 nan 8.290 nan 0.000 0.553 288 D N 0.394 120.790 120.400 -0.008 0.000 2.289 288 D HA -0.007 4.633 4.640 -0.000 0.000 0.207 288 D C 1.128 177.424 176.300 -0.007 0.000 0.966 288 D CA 0.030 54.025 54.000 -0.008 0.000 0.868 288 D CB 0.257 41.050 40.800 -0.011 0.000 0.943 288 D HN 0.140 nan 8.370 nan 0.000 0.514 289 I N 1.570 122.137 120.570 -0.006 0.000 2.752 289 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 289 I C 1.370 177.485 176.117 -0.004 0.000 1.180 289 I CA 0.881 62.178 61.300 -0.005 0.000 1.404 289 I CB -0.270 37.727 38.000 -0.004 0.000 1.389 289 I HN -0.008 nan 8.210 nan 0.000 0.549 290 G N 5.504 114.301 108.800 -0.004 0.000 2.360 290 G HA2 0.155 4.115 3.960 -0.000 0.000 0.276 290 G HA3 0.155 4.115 3.960 -0.000 0.000 0.276 290 G C -1.105 173.793 174.900 -0.004 0.000 1.256 290 G CA -0.679 44.419 45.100 -0.004 0.000 0.890 290 G HN 0.366 nan 8.290 nan 0.000 0.486 291 T N 2.057 116.609 114.554 -0.004 0.000 2.744 291 T HA 0.529 4.879 4.350 -0.000 0.000 0.291 291 T C -0.074 174.624 174.700 -0.004 0.000 0.957 291 T CA -0.126 61.971 62.100 -0.004 0.000 1.002 291 T CB 1.179 70.044 68.868 -0.004 0.000 0.919 291 T HN 0.421 nan 8.240 nan 0.000 0.468 292 E N 3.276 123.474 120.200 -0.004 0.000 2.283 292 E HA 0.190 4.540 4.350 -0.000 0.000 0.267 292 E C -1.289 175.308 176.600 -0.004 0.000 1.045 292 E CA -2.018 54.379 56.400 -0.004 0.000 0.884 292 E CB 0.714 30.411 29.700 -0.004 0.000 1.106 292 E HN 0.333 nan 8.360 nan 0.000 0.408 293 P HA -0.154 nan 4.420 nan 0.000 0.216 293 P C -0.556 176.741 177.300 -0.005 0.000 1.153 293 P CA 1.470 64.567 63.100 -0.004 0.000 0.858 293 P CB 0.299 31.997 31.700 -0.004 0.000 0.789 294 E N -1.638 118.560 120.200 -0.005 0.000 2.367 294 E HA 0.598 4.948 4.350 -0.000 0.000 0.273 294 E C -0.976 175.622 176.600 -0.004 0.000 0.903 294 E CA -1.147 55.250 56.400 -0.005 0.000 0.764 294 E CB 2.098 31.794 29.700 -0.006 0.000 1.252 294 E HN -0.095 nan 8.360 nan 0.000 0.446 295 A N 0.676 123.494 122.820 -0.003 0.000 2.366 295 A HA 0.423 4.743 4.320 -0.000 0.000 0.249 295 A C 1.194 178.778 177.584 -0.000 0.000 1.084 295 A CA 0.368 52.405 52.037 -0.000 0.000 0.794 295 A CB 0.120 19.122 19.000 0.003 0.000 1.034 295 A HN 0.795 nan 8.150 nan 0.000 0.491 296 G N -0.551 108.250 108.800 0.002 0.000 2.679 296 G HA2 0.235 4.195 3.960 -0.000 0.000 0.212 296 G HA3 0.235 4.195 3.960 -0.000 0.000 0.212 296 G C 0.492 175.390 174.900 -0.003 0.000 1.137 296 G CA 0.443 45.543 45.100 -0.000 0.000 0.787 296 G HN 0.741 nan 8.290 nan 0.000 0.534 297 Q N 0.113 119.916 119.800 0.005 0.000 2.413 297 Q HA 0.355 4.695 4.340 -0.000 0.000 0.276 297 Q C -1.471 174.539 176.000 0.017 0.000 1.099 297 Q CA -1.050 54.758 55.803 0.009 0.000 0.814 297 Q CB 1.996 30.754 28.738 0.034 0.000 1.379 297 Q HN 0.010 nan 8.270 nan 0.000 0.436 298 D N 0.585 120.994 120.400 0.015 0.000 2.387 298 D HA 0.405 5.045 4.640 -0.000 0.000 0.251 298 D C -0.215 176.143 176.300 0.097 0.000 1.141 298 D CA -0.204 53.814 54.000 0.030 0.000 0.987 298 D CB 0.886 41.688 40.800 0.003 0.000 1.116 298 D HN 0.625 nan 8.370 nan 0.000 0.491 299 A N 0.325 123.197 122.820 0.086 0.000 2.386 299 A HA 0.018 4.338 4.320 -0.000 0.000 0.246 299 A C 0.612 178.351 177.584 0.259 0.000 1.089 299 A CA -0.072 52.030 52.037 0.110 0.000 0.790 299 A CB -0.085 18.936 19.000 0.035 0.000 1.042 299 A HN 0.536 nan 8.150 nan 0.000 0.497 300 Y N 0.986 121.302 120.300 0.027 0.000 2.207 300 Y HA -0.212 4.338 4.550 -0.000 0.000 0.287 300 Y C 2.953 178.886 175.900 0.055 0.000 1.156 300 Y CA 1.658 59.780 58.100 0.038 0.000 1.182 300 Y CB -1.328 37.145 38.460 0.022 0.000 0.979 300 Y HN 0.751 nan 8.280 nan 0.000 0.521 301 S N -0.951 114.876 115.700 0.213 0.000 2.493 301 S HA -0.137 4.333 4.470 -0.000 0.000 0.243 301 S C 1.791 176.493 174.600 0.170 0.000 0.991 301 S CA 1.279 59.569 58.200 0.149 0.000 0.957 301 S CB -0.590 62.674 63.200 0.106 0.000 0.756 301 S HN 0.473 nan 8.310 nan 0.000 0.521 302 L N -0.429 120.914 121.223 0.200 0.000 2.588 302 L HA 0.358 4.698 4.340 -0.000 0.000 0.194 302 L C 2.741 179.823 176.870 0.354 0.000 1.070 302 L CA 0.215 55.222 54.840 0.280 0.000 0.852 302 L CB -0.207 41.960 42.059 0.180 0.000 1.199 302 L HN 0.161 nan 8.230 nan 0.000 0.486 303 R N -0.085 120.542 120.500 0.211 0.000 2.120 303 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 303 R C 1.493 177.883 176.300 0.149 0.000 1.123 303 R CA 1.688 57.884 56.100 0.160 0.000 0.975 303 R CB -0.158 30.194 30.300 0.087 0.000 0.866 303 R HN 0.386 nan 8.270 nan 0.000 0.446 304 C N 0.268 119.613 119.300 0.075 0.000 2.688 304 C HA 0.437 4.897 4.460 -0.000 0.000 0.297 304 C C 2.073 177.065 174.990 0.003 0.000 1.308 304 C CA -0.378 58.624 59.018 -0.028 0.000 1.726 304 C CB -0.375 27.250 27.740 -0.192 0.000 1.982 304 C HN 0.616 nan 8.230 nan 0.000 0.604 305 A N 2.668 125.532 122.820 0.073 0.000 1.908 305 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 305 A C 0.028 177.524 177.584 -0.147 0.000 1.181 305 A CA 1.750 53.767 52.037 -0.033 0.000 0.627 305 A CB -1.569 17.411 19.000 -0.032 0.000 0.818 305 A HN 0.410 nan 8.150 nan 0.000 0.445 306 P HA -0.163 nan 4.420 nan 0.000 0.215 306 P C 1.267 178.488 177.300 -0.131 0.000 1.153 306 P CA 1.560 64.565 63.100 -0.158 0.000 0.853 306 P CB -0.052 31.604 31.700 -0.073 0.000 0.788 307 Q N -1.026 118.717 119.800 -0.094 0.000 2.083 307 Q HA -0.073 4.267 4.340 -0.000 0.000 0.198 307 Q C 2.135 178.045 176.000 -0.150 0.000 0.969 307 Q CA 1.213 56.956 55.803 -0.101 0.000 0.838 307 Q CB -1.320 27.368 28.738 -0.083 0.000 0.900 307 Q HN 0.095 nan 8.270 nan 0.000 0.436 308 V N 0.269 120.092 119.914 -0.151 0.000 2.283 308 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 308 V C 2.076 178.011 176.094 -0.265 0.000 1.039 308 V CA 1.385 63.585 62.300 -0.167 0.000 1.016 308 V CB -0.548 31.206 31.823 -0.115 0.000 0.650 308 V HN 0.302 nan 8.190 nan 0.000 0.449 309 L N 0.547 121.565 121.223 -0.343 0.000 2.046 309 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 309 L C 2.651 178.968 176.870 -0.921 0.000 1.077 309 L CA 1.759 56.202 54.840 -0.663 0.000 0.747 309 L CB -1.164 40.505 42.059 -0.649 0.000 0.896 309 L HN 0.484 nan 8.230 nan 0.000 0.432 310 G N -0.418 108.079 108.800 -0.506 0.000 2.422 310 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 310 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 310 G C 1.767 176.559 174.900 -0.180 0.000 1.146 310 G CA 0.800 45.738 45.100 -0.270 0.000 0.769 310 G HN 0.469 nan 8.290 nan 0.000 0.547 311 A N 0.781 123.473 122.820 -0.214 0.000 1.930 311 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 311 A C 2.673 180.189 177.584 -0.113 0.000 1.175 311 A CA 2.003 53.935 52.037 -0.174 0.000 0.627 311 A CB -0.905 17.984 19.000 -0.186 0.000 0.815 311 A HN 0.492 nan 8.150 nan 0.000 0.443 312 G N -1.144 107.554 108.800 -0.170 0.000 2.402 312 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.216 312 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.216 312 G C 1.269 176.251 174.900 0.136 0.000 1.162 312 G CA 0.971 46.023 45.100 -0.080 0.000 0.777 312 G HN 0.377 nan 8.290 nan 0.000 0.539 313 F N 1.706 121.661 119.950 0.009 0.000 2.186 313 F HA 0.044 4.571 4.527 -0.000 0.000 0.299 313 F C 2.263 178.089 175.800 0.043 0.000 1.090 313 F CA 0.312 58.329 58.000 0.028 0.000 1.307 313 F CB -0.582 38.428 39.000 0.016 0.000 1.019 313 F HN 0.115 nan 8.300 nan 0.000 0.489 314 D N -0.609 119.917 120.400 0.209 0.000 2.224 314 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 314 D C 2.184 178.592 176.300 0.179 0.000 0.965 314 D CA 1.308 55.399 54.000 0.152 0.000 0.852 314 D CB -0.267 40.572 40.800 0.065 0.000 0.947 314 D HN 0.203 nan 8.370 nan 0.000 0.494 315 T N 1.056 115.710 114.554 0.167 0.000 2.812 315 T HA -0.092 4.257 4.350 -0.000 0.000 0.264 315 T C 1.901 176.771 174.700 0.284 0.000 1.042 315 T CA 0.281 62.521 62.100 0.234 0.000 1.140 315 T CB -0.149 68.810 68.868 0.153 0.000 0.870 315 T HN 0.037 nan 8.240 nan 0.000 0.445 316 L N 1.563 122.911 121.223 0.208 0.000 2.083 316 L HA 0.110 4.450 4.340 -0.000 0.000 0.209 316 L C 2.557 179.547 176.870 0.200 0.000 1.083 316 L CA 1.668 56.606 54.840 0.164 0.000 0.752 316 L CB -0.961 41.176 42.059 0.131 0.000 0.899 316 L HN 0.215 nan 8.230 nan 0.000 0.433 317 A N -1.205 121.736 122.820 0.201 0.000 1.902 317 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 317 A C 2.121 179.849 177.584 0.240 0.000 1.181 317 A CA 1.716 53.861 52.037 0.180 0.000 0.623 317 A CB -1.422 17.675 19.000 0.162 0.000 0.818 317 A HN 0.733 nan 8.150 nan 0.000 0.443 318 W N 0.394 121.754 121.300 0.100 0.000 2.355 318 W HA -0.187 4.473 4.660 -0.000 0.000 0.309 318 W C 2.269 178.856 176.519 0.113 0.000 1.206 318 W CA 1.928 59.327 57.345 0.090 0.000 1.284 318 W CB -0.745 28.762 29.460 0.078 0.000 1.145 318 W HN 0.629 nan 8.180 nan 0.000 0.502 319 H N 0.189 119.217 119.070 -0.071 0.000 2.319 319 H HA -0.173 4.383 4.556 -0.000 0.000 0.297 319 H C 1.378 176.601 175.328 -0.174 0.000 1.097 319 H CA 2.412 58.311 56.048 -0.250 0.000 1.285 319 H CB -0.550 29.171 29.762 -0.070 0.000 1.368 319 H HN 0.068 nan 8.280 nan 0.000 0.495 320 D N 0.276 120.744 120.400 0.114 0.000 2.144 320 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 320 D C 2.602 178.878 176.300 -0.039 0.000 0.978 320 D CA 0.560 54.593 54.000 0.055 0.000 0.833 320 D CB -0.231 40.637 40.800 0.112 0.000 0.961 320 D HN 0.367 nan 8.370 nan 0.000 0.470 321 R N 0.285 120.770 120.500 -0.025 0.000 2.073 321 R HA -0.066 4.273 4.340 -0.000 0.000 0.234 321 R C 2.313 178.558 176.300 -0.092 0.000 1.134 321 R CA 0.783 56.875 56.100 -0.014 0.000 0.952 321 R CB -0.430 29.908 30.300 0.064 0.000 0.850 321 R HN 0.098 nan 8.270 nan 0.000 0.433 322 V N 1.337 121.116 119.914 -0.224 0.000 2.358 322 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 322 V C 2.209 178.158 176.094 -0.241 0.000 1.047 322 V CA 1.384 63.528 62.300 -0.261 0.000 1.035 322 V CB -0.423 31.125 31.823 -0.460 0.000 0.658 322 V HN 0.244 nan 8.190 nan 0.000 0.452 323 L N 0.002 121.044 121.223 -0.302 0.000 2.083 323 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 323 L C 2.426 179.214 176.870 -0.138 0.000 1.083 323 L CA 2.322 57.010 54.840 -0.252 0.000 0.752 323 L CB -0.970 40.897 42.059 -0.321 0.000 0.899 323 L HN 0.332 nan 8.230 nan 0.000 0.433 324 T N -0.133 114.366 114.554 -0.092 0.000 2.746 324 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 324 T C 1.965 176.651 174.700 -0.024 0.000 1.039 324 T CA 1.955 64.035 62.100 -0.035 0.000 1.142 324 T CB -0.276 68.612 68.868 0.033 0.000 0.866 324 T HN 0.320 nan 8.240 nan 0.000 0.444 325 I N 0.698 121.240 120.570 -0.046 0.000 2.202 325 I HA -0.143 4.026 4.170 -0.000 0.000 0.242 325 I C 2.728 178.793 176.117 -0.085 0.000 1.091 325 I CA 1.293 62.562 61.300 -0.053 0.000 1.368 325 I CB -0.327 37.619 38.000 -0.090 0.000 1.058 325 I HN 0.205 nan 8.210 nan 0.000 0.410 326 E N 1.334 121.461 120.200 -0.121 0.000 2.058 326 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 326 E C 2.033 178.583 176.600 -0.084 0.000 0.997 326 E CA 1.333 57.663 56.400 -0.117 0.000 0.801 326 E CB -0.290 29.335 29.700 -0.124 0.000 0.746 326 E HN 0.305 nan 8.360 nan 0.000 0.450 327 L N 0.978 122.151 121.223 -0.083 0.000 2.079 327 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 327 L C 1.220 178.045 176.870 -0.074 0.000 1.081 327 L CA 1.848 56.642 54.840 -0.077 0.000 0.752 327 L CB -0.452 41.555 42.059 -0.087 0.000 0.896 327 L HN 0.154 nan 8.230 nan 0.000 0.433 328 N N -0.129 118.530 118.700 -0.068 0.000 2.322 328 N HA 0.189 4.929 4.740 -0.000 0.000 0.194 328 N C 0.361 175.858 175.510 -0.023 0.000 1.126 328 N CA 0.625 53.649 53.050 -0.043 0.000 0.845 328 N CB 0.239 38.727 38.487 0.003 0.000 0.976 328 N HN 0.428 nan 8.380 nan 0.000 0.475 329 A N 0.281 123.077 122.820 -0.041 0.000 2.248 329 A HA 0.583 4.903 4.320 -0.000 0.000 0.316 329 A C 0.003 177.564 177.584 -0.039 0.000 1.101 329 A CA -0.386 51.624 52.037 -0.044 0.000 0.875 329 A CB 0.999 19.956 19.000 -0.071 0.000 1.207 329 A HN -0.044 nan 8.150 nan 0.000 0.504 330 V N 1.128 121.018 119.914 -0.040 0.000 2.328 330 V HA 0.323 4.443 4.120 -0.000 0.000 0.278 330 V C 0.853 176.922 176.094 -0.042 0.000 1.021 330 V CA 0.389 62.670 62.300 -0.032 0.000 0.838 330 V CB 0.749 32.555 31.823 -0.029 0.000 0.999 330 V HN 1.038 nan 8.190 nan 0.000 0.447 331 T N -0.742 113.797 114.554 -0.025 0.000 3.186 331 T HA 0.210 4.560 4.350 -0.000 0.000 0.257 331 T C 0.151 174.869 174.700 0.029 0.000 1.029 331 T CA -0.535 61.556 62.100 -0.016 0.000 0.916 331 T CB -0.294 68.575 68.868 0.002 0.000 1.041 331 T HN 0.537 nan 8.240 nan 0.000 0.562 332 D N 2.530 122.939 120.400 0.015 0.000 2.357 332 D HA 0.498 5.138 4.640 -0.000 0.000 0.242 332 D C -0.104 176.212 176.300 0.026 0.000 1.153 332 D CA -0.001 54.024 54.000 0.041 0.000 0.918 332 D CB 0.479 41.287 40.800 0.013 0.000 1.181 332 D HN 0.316 nan 8.370 nan 0.000 0.435 333 N N 0.073 118.819 118.700 0.077 0.000 2.503 333 N HA 0.306 5.046 4.740 -0.000 0.000 0.287 333 N C -2.933 172.593 175.510 0.027 0.000 1.096 333 N CA -1.386 51.681 53.050 0.027 0.000 0.936 333 N CB 1.963 40.591 38.487 0.234 0.000 1.570 333 N HN 0.023 nan 8.380 nan 0.000 0.504 334 P HA 0.350 nan 4.420 nan 0.000 0.282 334 P C -0.921 176.057 177.300 -0.536 0.000 1.287 334 P CA -0.466 62.363 63.100 -0.452 0.000 0.792 334 P CB 1.003 32.230 31.700 -0.788 0.000 1.163 335 V N -3.780 115.740 119.914 -0.657 0.000 2.914 335 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 335 V C -1.036 174.587 176.094 -0.785 0.000 1.084 335 V CA -0.945 60.998 62.300 -0.595 0.000 0.963 335 V CB 1.613 33.279 31.823 -0.262 0.000 1.025 335 V HN 0.223 nan 8.190 nan 0.000 0.432 336 F N 2.039 121.969 119.950 -0.033 0.000 2.359 336 F HA 0.607 5.134 4.527 -0.000 0.000 0.369 336 F C -2.389 173.402 175.800 -0.015 0.000 1.084 336 F CA -2.551 55.437 58.000 -0.020 0.000 1.096 336 F CB 1.223 40.218 39.000 -0.007 0.000 1.335 336 F HN 0.295 nan 8.300 nan 0.000 0.457 337 P HA -0.019 nan 4.420 nan 0.000 0.258 337 P C -1.975 175.365 177.300 0.065 0.000 1.172 337 P CA -0.587 62.541 63.100 0.047 0.000 0.762 337 P CB 0.419 32.135 31.700 0.025 0.000 0.764 338 P HA -0.176 nan 4.420 nan 0.000 0.219 338 P C 0.843 178.161 177.300 0.031 0.000 1.146 338 P CA 1.327 64.452 63.100 0.041 0.000 0.808 338 P CB -0.099 31.618 31.700 0.029 0.000 0.779 339 D N -1.554 118.861 120.400 0.025 0.000 2.363 339 D HA 0.024 4.664 4.640 -0.000 0.000 0.220 339 D C 1.459 177.773 176.300 0.024 0.000 0.994 339 D CA 0.818 54.830 54.000 0.020 0.000 0.890 339 D CB -1.219 39.589 40.800 0.013 0.000 0.906 339 D HN 0.183 nan 8.370 nan 0.000 0.530 340 G N 0.315 109.136 108.800 0.034 0.000 2.166 340 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.260 340 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.260 340 G C 1.244 176.165 174.900 0.035 0.000 0.986 340 G CA 1.230 46.353 45.100 0.038 0.000 0.683 340 G HN 0.632 nan 8.290 nan 0.000 0.527 341 S N -1.323 114.394 115.700 0.029 0.000 2.359 341 S HA 0.153 4.623 4.470 -0.000 0.000 0.224 341 S C 1.265 175.883 174.600 0.030 0.000 1.035 341 S CA 2.002 60.216 58.200 0.024 0.000 1.018 341 S CB -0.520 62.690 63.200 0.016 0.000 0.876 341 S HN 2.016 nan 8.310 nan 0.000 0.448 342 V N -3.258 116.679 119.914 0.037 0.000 3.040 342 V HA 0.570 4.690 4.120 -0.000 0.000 0.312 342 V C -2.461 173.676 176.094 0.073 0.000 1.115 342 V CA -2.182 60.147 62.300 0.047 0.000 0.998 342 V CB 1.173 33.019 31.823 0.038 0.000 1.042 342 V HN -0.091 nan 8.190 nan 0.000 0.433 343 P HA 0.218 nan 4.420 nan 0.000 0.217 343 P C 0.274 177.695 177.300 0.201 0.000 1.150 343 P CA 2.104 65.291 63.100 0.144 0.000 0.832 343 P CB 0.166 31.950 31.700 0.140 0.000 0.787 344 A N -2.028 120.856 122.820 0.106 0.000 2.586 344 A HA 0.646 4.965 4.320 -0.000 0.000 0.291 344 A C -1.944 175.587 177.584 -0.088 0.000 1.062 344 A CA -0.541 51.466 52.037 -0.050 0.000 0.666 344 A CB 0.426 19.362 19.000 -0.107 0.000 1.281 344 A HN -0.050 nan 8.150 nan 0.000 0.421 345 L N 1.087 122.165 121.223 -0.241 0.000 2.381 345 L HA 0.608 4.947 4.340 -0.000 0.000 0.268 345 L C -1.117 175.574 176.870 -0.299 0.000 0.997 345 L CA -0.689 54.063 54.840 -0.147 0.000 0.818 345 L CB 2.307 44.295 42.059 -0.118 0.000 1.310 345 L HN 0.859 nan 8.230 nan 0.000 0.416 346 H N 1.028 120.031 119.070 -0.112 0.000 2.489 346 H HA 0.788 5.344 4.556 -0.000 0.000 0.343 346 H C 0.175 175.436 175.328 -0.111 0.000 1.086 346 H CA -0.167 55.814 56.048 -0.111 0.000 1.198 346 H CB 2.048 31.749 29.762 -0.100 0.000 1.490 346 H HN 0.744 nan 8.280 nan 0.000 0.504 347 G N 0.498 109.270 108.800 -0.047 0.000 2.694 347 G HA2 0.440 4.400 3.960 -0.000 0.000 0.246 347 G HA3 0.440 4.400 3.960 -0.000 0.000 0.246 347 G C -0.356 174.379 174.900 -0.276 0.000 1.205 347 G CA -0.267 44.760 45.100 -0.122 0.000 0.891 347 G HN 0.703 nan 8.290 nan 0.000 0.515 348 G N 0.068 108.583 108.800 -0.476 0.000 4.803 348 G HA2 0.309 4.269 3.960 -0.000 0.000 0.266 348 G HA3 0.309 4.269 3.960 -0.000 0.000 0.266 348 G C 0.206 174.492 174.900 -1.024 0.000 1.111 348 G CA -0.135 44.298 45.100 -1.111 0.000 0.874 348 G HN 0.261 nan 8.290 nan 0.000 0.555 349 N N 0.850 119.157 118.700 -0.654 0.000 2.609 349 N HA -0.035 4.705 4.740 -0.000 0.000 0.190 349 N C 1.469 176.823 175.510 -0.259 0.000 1.157 349 N CA 0.301 53.137 53.050 -0.355 0.000 0.918 349 N CB -0.134 38.233 38.487 -0.200 0.000 0.978 349 N HN 0.626 nan 8.380 nan 0.000 0.448 350 F N -1.293 118.636 119.950 -0.036 0.000 2.789 350 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 350 F C 0.807 176.600 175.800 -0.010 0.000 1.132 350 F CA -0.829 57.155 58.000 -0.026 0.000 1.404 350 F CB -0.745 38.238 39.000 -0.029 0.000 1.114 350 F HN -0.167 nan 8.300 nan 0.000 0.584 351 M N 2.748 122.362 119.600 0.022 0.000 2.435 351 M HA 0.346 4.826 4.480 -0.000 0.000 0.338 351 M C 1.018 177.373 176.300 0.091 0.000 1.628 351 M CA -0.498 54.877 55.300 0.126 0.000 1.215 351 M CB 0.184 32.779 32.600 -0.009 0.000 1.905 351 M HN 0.244 nan 8.290 nan 0.000 0.457 352 G N 3.442 112.310 108.800 0.113 0.000 3.452 352 G HA2 0.012 3.972 3.960 -0.000 0.000 0.258 352 G HA3 0.012 3.972 3.960 -0.000 0.000 0.258 352 G C 0.722 175.661 174.900 0.065 0.000 1.305 352 G CA -0.167 44.980 45.100 0.079 0.000 1.514 352 G HN 0.811 nan 8.290 nan 0.000 0.593 353 Q N 0.022 119.861 119.800 0.064 0.000 2.167 353 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 353 Q C 1.939 177.916 176.000 -0.038 0.000 0.970 353 Q CA 1.479 57.288 55.803 0.009 0.000 0.855 353 Q CB -0.136 28.587 28.738 -0.024 0.000 0.911 353 Q HN 0.715 nan 8.270 nan 0.000 0.438 354 H N -1.763 117.284 119.070 -0.039 0.000 2.326 354 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 354 H C 1.784 177.028 175.328 -0.140 0.000 1.081 354 H CA 1.722 57.718 56.048 -0.085 0.000 1.334 354 H CB 0.042 29.741 29.762 -0.104 0.000 1.385 354 H HN 0.070 nan 8.280 nan 0.000 0.504 355 V N 0.440 120.360 119.914 0.009 0.000 2.548 355 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 355 V C 2.460 178.538 176.094 -0.027 0.000 1.055 355 V CA 1.325 63.590 62.300 -0.059 0.000 1.065 355 V CB -0.848 30.953 31.823 -0.037 0.000 0.681 355 V HN 0.559 nan 8.190 nan 0.000 0.462 356 A N 0.098 122.918 122.820 0.000 0.000 1.858 356 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 356 A C 2.198 179.794 177.584 0.020 0.000 1.190 356 A CA 1.730 53.778 52.037 0.018 0.000 0.617 356 A CB -0.510 18.504 19.000 0.024 0.000 0.827 356 A HN 0.477 nan 8.150 nan 0.000 0.443 357 L N -0.082 121.141 121.223 0.001 0.000 2.056 357 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 357 L C 2.981 179.891 176.870 0.067 0.000 1.078 357 L CA 1.831 56.701 54.840 0.050 0.000 0.749 357 L CB -0.960 41.142 42.059 0.070 0.000 0.901 357 L HN 0.663 nan 8.230 nan 0.000 0.433 358 T N -4.570 109.918 114.554 -0.109 0.000 2.904 358 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 358 T C 2.032 176.803 174.700 0.117 0.000 1.059 358 T CA 1.214 63.199 62.100 -0.193 0.000 1.137 358 T CB -0.221 68.321 68.868 -0.545 0.000 0.879 358 T HN 0.118 nan 8.240 nan 0.000 0.467 359 S N 1.648 117.413 115.700 0.109 0.000 2.368 359 S HA -0.103 4.367 4.470 -0.000 0.000 0.224 359 S C 1.874 176.538 174.600 0.107 0.000 1.029 359 S CA 1.226 59.517 58.200 0.151 0.000 0.988 359 S CB -0.545 62.719 63.200 0.107 0.000 0.838 359 S HN 0.517 nan 8.310 nan 0.000 0.462 360 D N 1.601 122.056 120.400 0.092 0.000 2.117 360 D HA -0.011 4.628 4.640 -0.000 0.000 0.197 360 D C 2.109 178.465 176.300 0.094 0.000 0.987 360 D CA 1.199 55.248 54.000 0.081 0.000 0.829 360 D CB -0.394 40.448 40.800 0.070 0.000 0.961 360 D HN 0.380 nan 8.370 nan 0.000 0.460 361 A N 0.709 123.620 122.820 0.153 0.000 1.898 361 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 361 A C 2.148 179.808 177.584 0.126 0.000 1.181 361 A CA 0.900 53.047 52.037 0.183 0.000 0.620 361 A CB -0.653 18.583 19.000 0.393 0.000 0.819 361 A HN 0.241 nan 8.150 nan 0.000 0.442 362 L N -0.177 121.116 121.223 0.117 0.000 2.093 362 L HA -0.023 4.316 4.340 -0.000 0.000 0.208 362 L C 2.624 179.487 176.870 -0.013 0.000 1.085 362 L CA 2.054 56.910 54.840 0.028 0.000 0.755 362 L CB -0.823 41.185 42.059 -0.084 0.000 0.904 362 L HN 0.340 nan 8.230 nan 0.000 0.435 363 A N -1.446 121.380 122.820 0.010 0.000 1.908 363 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 363 A C 2.269 179.830 177.584 -0.038 0.000 1.181 363 A CA 2.420 54.453 52.037 -0.006 0.000 0.627 363 A CB -1.241 17.772 19.000 0.022 0.000 0.818 363 A HN 0.515 nan 8.150 nan 0.000 0.445 364 T N 0.213 114.755 114.554 -0.021 0.000 2.708 364 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 364 T C 2.248 176.894 174.700 -0.090 0.000 1.037 364 T CA 1.585 63.660 62.100 -0.042 0.000 1.146 364 T CB -0.488 68.371 68.868 -0.016 0.000 0.865 364 T HN 0.613 nan 8.240 nan 0.000 0.435 365 A N 1.057 123.826 122.820 -0.085 0.000 1.908 365 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 365 A C 2.594 180.011 177.584 -0.278 0.000 1.181 365 A CA 1.484 53.438 52.037 -0.138 0.000 0.627 365 A CB -1.108 17.846 19.000 -0.076 0.000 0.818 365 A HN 0.349 nan 8.150 nan 0.000 0.445 366 V N -0.249 119.486 119.914 -0.298 0.000 2.343 366 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 366 V C 2.743 178.510 176.094 -0.545 0.000 1.051 366 V CA 2.508 64.482 62.300 -0.543 0.000 1.036 366 V CB -1.266 30.402 31.823 -0.259 0.000 0.654 366 V HN 0.621 nan 8.190 nan 0.000 0.451 367 T N -0.219 114.164 114.554 -0.285 0.000 2.788 367 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 367 T C 1.924 176.489 174.700 -0.225 0.000 1.044 367 T CA 1.529 63.504 62.100 -0.209 0.000 1.139 367 T CB -0.171 68.631 68.868 -0.109 0.000 0.867 367 T HN 0.285 nan 8.240 nan 0.000 0.454 368 V N 1.089 120.867 119.914 -0.227 0.000 2.307 368 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 368 V C 2.373 178.323 176.094 -0.239 0.000 1.045 368 V CA 1.287 63.473 62.300 -0.189 0.000 1.024 368 V CB -0.521 31.206 31.823 -0.160 0.000 0.651 368 V HN 0.319 nan 8.190 nan 0.000 0.449 369 L N 0.297 121.282 121.223 -0.397 0.000 2.141 369 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 369 L C 2.525 179.180 176.870 -0.360 0.000 1.094 369 L CA 1.993 56.590 54.840 -0.405 0.000 0.763 369 L CB -1.119 40.575 42.059 -0.608 0.000 0.908 369 L HN 0.283 nan 8.230 nan 0.000 0.437 370 A N -0.609 121.866 122.820 -0.575 0.000 1.969 370 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 370 A C 2.421 179.978 177.584 -0.045 0.000 1.169 370 A CA 1.449 53.340 52.037 -0.244 0.000 0.635 370 A CB -1.200 17.671 19.000 -0.216 0.000 0.810 370 A HN 0.417 nan 8.150 nan 0.000 0.445 371 G N -0.048 108.697 108.800 -0.091 0.000 2.418 371 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.217 371 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.217 371 G C 1.478 176.379 174.900 0.000 0.000 1.158 371 G CA 1.190 46.269 45.100 -0.033 0.000 0.771 371 G HN 0.504 nan 8.290 nan 0.000 0.545 372 L N 1.439 122.657 121.223 -0.007 0.000 2.017 372 L HA 0.130 4.470 4.340 -0.000 0.000 0.208 372 L C 3.022 179.935 176.870 0.071 0.000 1.073 372 L CA 2.313 57.171 54.840 0.030 0.000 0.745 372 L CB -0.787 41.282 42.059 0.017 0.000 0.894 372 L HN 0.219 nan 8.230 nan 0.000 0.432 373 A N -0.935 121.953 122.820 0.113 0.000 1.933 373 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 373 A C 2.328 179.970 177.584 0.097 0.000 1.175 373 A CA 1.704 53.826 52.037 0.142 0.000 0.628 373 A CB -0.756 18.390 19.000 0.244 0.000 0.814 373 A HN 0.592 nan 8.150 nan 0.000 0.444 374 E N -0.070 120.180 120.200 0.083 0.000 2.106 374 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 374 E C 2.010 178.642 176.600 0.053 0.000 0.984 374 E CA 0.787 57.225 56.400 0.064 0.000 0.806 374 E CB -0.181 29.551 29.700 0.053 0.000 0.750 374 E HN 0.381 nan 8.360 nan 0.000 0.458 375 R N 0.269 120.798 120.500 0.048 0.000 2.148 375 R HA -0.011 4.329 4.340 -0.000 0.000 0.223 375 R C 2.322 178.649 176.300 0.046 0.000 1.088 375 R CA 0.677 56.803 56.100 0.043 0.000 0.985 375 R CB -0.299 30.024 30.300 0.039 0.000 0.880 375 R HN 0.388 nan 8.270 nan 0.000 0.451 376 Q N 0.024 119.857 119.800 0.055 0.000 2.119 376 Q HA -0.014 4.326 4.340 -0.000 0.000 0.201 376 Q C 2.142 178.163 176.000 0.036 0.000 0.972 376 Q CA 1.020 56.855 55.803 0.054 0.000 0.847 376 Q CB -0.031 28.748 28.738 0.070 0.000 0.903 376 Q HN 0.296 nan 8.270 nan 0.000 0.433 377 I N 0.613 121.204 120.570 0.036 0.000 2.202 377 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 377 I C 2.416 178.556 176.117 0.037 0.000 1.091 377 I CA 0.909 62.222 61.300 0.023 0.000 1.368 377 I CB -0.388 37.630 38.000 0.030 0.000 1.058 377 I HN 0.138 nan 8.210 nan 0.000 0.410 378 A N 0.729 123.577 122.820 0.048 0.000 1.978 378 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 378 A C 2.427 180.025 177.584 0.023 0.000 1.170 378 A CA 1.932 54.001 52.037 0.053 0.000 0.636 378 A CB -0.632 18.398 19.000 0.050 0.000 0.810 378 A HN 0.405 nan 8.150 nan 0.000 0.448 379 R N -1.028 119.481 120.500 0.015 0.000 2.075 379 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 379 R C 2.013 178.302 176.300 -0.019 0.000 1.114 379 R CA 1.259 57.357 56.100 -0.002 0.000 0.972 379 R CB -0.384 29.923 30.300 0.011 0.000 0.869 379 R HN 0.386 nan 8.270 nan 0.000 0.437 380 L N 1.242 122.458 121.223 -0.011 0.000 2.083 380 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 380 L C 1.951 178.794 176.870 -0.045 0.000 1.083 380 L CA 2.413 57.238 54.840 -0.024 0.000 0.752 380 L CB -0.464 41.580 42.059 -0.024 0.000 0.899 380 L HN 0.433 nan 8.230 nan 0.000 0.433 381 T N -4.194 110.335 114.554 -0.042 0.000 3.107 381 T HA 0.030 4.380 4.350 -0.000 0.000 0.249 381 T C 0.713 175.212 174.700 -0.335 0.000 1.096 381 T CA -0.126 61.925 62.100 -0.082 0.000 1.012 381 T CB -0.468 68.472 68.868 0.119 0.000 0.977 381 T HN 0.251 nan 8.240 nan 0.000 0.527 382 D N 2.616 122.880 120.400 -0.227 0.000 2.347 382 D HA 0.075 4.715 4.640 -0.000 0.000 0.235 382 D C 1.298 177.476 176.300 -0.203 0.000 1.149 382 D CA -0.316 53.527 54.000 -0.261 0.000 0.850 382 D CB 1.288 42.016 40.800 -0.121 0.000 1.061 382 D HN 0.610 nan 8.370 nan 0.000 0.487 383 E N 3.259 123.313 120.200 -0.243 0.000 2.331 383 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 383 E C 1.060 177.612 176.600 -0.081 0.000 1.008 383 E CA 0.759 57.078 56.400 -0.135 0.000 0.843 383 E CB 0.101 29.735 29.700 -0.110 0.000 0.761 383 E HN 0.373 nan 8.360 nan 0.000 0.507 384 R N 0.043 120.496 120.500 -0.078 0.000 2.210 384 R HA 0.169 4.509 4.340 -0.000 0.000 0.203 384 R C 1.869 178.144 176.300 -0.042 0.000 1.010 384 R CA 0.586 56.657 56.100 -0.048 0.000 1.008 384 R CB 0.167 30.444 30.300 -0.038 0.000 0.923 384 R HN 0.264 nan 8.270 nan 0.000 0.469 385 L N 0.290 121.483 121.223 -0.051 0.000 2.672 385 L HA 0.105 4.445 4.340 -0.000 0.000 0.236 385 L C 0.732 177.581 176.870 -0.035 0.000 1.092 385 L CA -0.057 54.760 54.840 -0.038 0.000 0.887 385 L CB 0.088 42.125 42.059 -0.035 0.000 1.168 385 L HN 0.132 nan 8.230 nan 0.000 0.502 386 N N 0.869 119.541 118.700 -0.046 0.000 2.362 386 N HA -0.052 4.688 4.740 -0.000 0.000 0.204 386 N C 0.049 175.542 175.510 -0.028 0.000 1.166 386 N CA -0.252 52.776 53.050 -0.037 0.000 0.831 386 N CB -0.209 38.248 38.487 -0.050 0.000 1.008 386 N HN 0.067 nan 8.380 nan 0.000 0.472 387 R N -0.481 120.004 120.500 -0.025 0.000 3.188 387 R HA -0.171 4.169 4.340 -0.000 0.000 0.247 387 R C 0.775 177.065 176.300 -0.017 0.000 0.918 387 R CA 0.505 56.594 56.100 -0.019 0.000 0.629 387 R CB -2.045 28.246 30.300 -0.016 0.000 1.087 387 R HN 0.641 nan 8.270 nan 0.000 0.462 388 G N -1.012 107.777 108.800 -0.018 0.000 2.194 388 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.236 388 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.236 388 G C 0.254 175.145 174.900 -0.015 0.000 0.987 388 G CA 0.044 45.136 45.100 -0.013 0.000 0.635 388 G HN 0.264 nan 8.290 nan 0.000 0.520 389 L N 1.458 122.669 121.223 -0.021 0.000 2.418 389 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 389 L C -1.642 175.216 176.870 -0.021 0.000 1.143 389 L CA -2.019 52.808 54.840 -0.021 0.000 0.809 389 L CB 0.671 42.717 42.059 -0.022 0.000 1.124 389 L HN -0.088 nan 8.230 nan 0.000 0.456 390 P HA 0.062 nan 4.420 nan 0.000 0.269 390 P C -2.473 174.863 177.300 0.059 0.000 1.209 390 P CA -0.979 62.124 63.100 0.006 0.000 0.776 390 P CB -0.137 31.464 31.700 -0.166 0.000 0.876 391 P HA -0.019 nan 4.420 nan 0.000 0.267 391 P C -0.257 177.118 177.300 0.125 0.000 1.209 391 P CA 0.370 63.432 63.100 -0.062 0.000 0.763 391 P CB -0.155 31.546 31.700 0.002 0.000 0.816 392 F N 1.588 121.638 119.950 0.168 0.000 3.034 392 F HA -0.243 4.284 4.527 -0.000 0.000 0.286 392 F C 1.339 177.317 175.800 0.297 0.000 0.804 392 F CA 0.383 58.507 58.000 0.206 0.000 1.161 392 F CB -2.646 36.463 39.000 0.181 0.000 1.317 392 F HN 0.273 nan 8.300 nan 0.000 0.453 393 L N -1.661 119.739 121.223 0.294 0.000 3.839 393 L HA -0.319 4.021 4.340 -0.000 0.000 0.416 393 L C 1.342 178.368 176.870 0.261 0.000 1.195 393 L CA 1.043 56.029 54.840 0.244 0.000 0.946 393 L CB -2.023 40.194 42.059 0.264 0.000 1.891 393 L HN 0.688 nan 8.230 nan 0.000 0.963 394 H N 0.467 119.661 119.070 0.207 0.000 2.671 394 H HA 0.640 5.196 4.556 -0.000 0.000 0.372 394 H C 0.287 175.669 175.328 0.090 0.000 1.227 394 H CA -0.412 55.712 56.048 0.127 0.000 1.426 394 H CB 0.851 30.679 29.762 0.110 0.000 1.480 394 H HN 0.292 nan 8.280 nan 0.000 0.611 395 R N -0.057 120.439 120.500 -0.006 0.000 2.892 395 R HA 0.479 4.819 4.340 -0.000 0.000 0.265 395 R C -0.244 176.127 176.300 0.119 0.000 1.025 395 R CA -0.222 55.849 56.100 -0.049 0.000 0.982 395 R CB 2.094 32.393 30.300 -0.003 0.000 1.185 395 R HN 1.101 nan 8.270 nan 0.000 0.484 396 G N 1.509 110.361 108.800 0.086 0.000 2.760 396 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.246 396 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.246 396 G C -2.719 172.298 174.900 0.194 0.000 1.359 396 G CA -1.228 43.941 45.100 0.117 0.000 0.861 396 G HN 0.390 nan 8.290 nan 0.000 0.541 397 P HA 0.467 nan 4.420 nan 0.000 0.267 397 P C 0.429 177.773 177.300 0.075 0.000 1.205 397 P CA 0.796 63.961 63.100 0.109 0.000 0.765 397 P CB 0.762 32.493 31.700 0.050 0.000 0.828 398 A N 3.450 126.310 122.820 0.067 0.000 2.445 398 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 398 A C 1.623 179.116 177.584 -0.152 0.000 1.075 398 A CA 0.795 52.697 52.037 -0.225 0.000 0.777 398 A CB -0.968 18.000 19.000 -0.054 0.000 1.013 398 A HN 0.813 nan 8.150 nan 0.000 0.493 399 G N 0.238 108.919 108.800 -0.200 0.000 2.900 399 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.223 399 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.223 399 G C 1.016 175.865 174.900 -0.085 0.000 1.293 399 G CA 0.819 45.859 45.100 -0.100 0.000 0.792 399 G HN 1.355 nan 8.290 nan 0.000 0.527 400 L N 1.759 122.942 121.223 -0.067 0.000 2.141 400 L HA 0.300 4.640 4.340 -0.000 0.000 0.209 400 L C 0.894 177.734 176.870 -0.049 0.000 1.094 400 L CA 1.503 56.318 54.840 -0.042 0.000 0.763 400 L CB -0.206 41.843 42.059 -0.016 0.000 0.908 400 L HN 0.465 nan 8.230 nan 0.000 0.437 401 N N -1.623 117.033 118.700 -0.074 0.000 2.321 401 N HA 0.242 4.982 4.740 -0.000 0.000 0.299 401 N C -0.011 175.424 175.510 -0.125 0.000 1.048 401 N CA -0.073 52.945 53.050 -0.054 0.000 0.836 401 N CB 1.958 40.479 38.487 0.056 0.000 1.269 401 N HN -0.127 nan 8.380 nan 0.000 0.486 402 S N 0.161 115.819 115.700 -0.070 0.000 2.559 402 S HA 0.238 4.708 4.470 -0.000 0.000 0.226 402 S C 1.308 175.925 174.600 0.030 0.000 1.000 402 S CA 0.007 58.167 58.200 -0.067 0.000 0.948 402 S CB 0.459 63.573 63.200 -0.142 0.000 0.870 402 S HN 0.923 nan 8.310 nan 0.000 0.497 403 G N 2.532 111.358 108.800 0.044 0.000 2.660 403 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.321 403 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.321 403 G C 0.265 175.063 174.900 -0.171 0.000 1.246 403 G CA 0.908 46.001 45.100 -0.011 0.000 1.000 403 G HN 0.473 nan 8.290 nan 0.000 0.550 404 F N 1.315 121.347 119.950 0.137 0.000 2.664 404 F HA 0.468 4.995 4.527 -0.000 0.000 0.301 404 F C 2.390 178.216 175.800 0.043 0.000 1.126 404 F CA 0.919 58.976 58.000 0.094 0.000 1.373 404 F CB 0.144 39.219 39.000 0.125 0.000 1.042 404 F HN 0.326 nan 8.300 nan 0.000 0.535 405 M N -0.033 119.554 119.600 -0.021 0.000 2.149 405 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 405 M C 2.339 178.504 176.300 -0.224 0.000 1.064 405 M CA 2.210 57.220 55.300 -0.484 0.000 1.102 405 M CB -0.412 31.614 32.600 -0.958 0.000 1.369 405 M HN 0.299 nan 8.290 nan 0.000 0.408 406 G N -0.838 107.891 108.800 -0.119 0.000 2.394 406 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.215 406 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.215 406 G C 1.482 176.387 174.900 0.007 0.000 1.165 406 G CA 0.671 45.732 45.100 -0.065 0.000 0.784 406 G HN 0.607 nan 8.290 nan 0.000 0.535 407 A N -0.003 122.860 122.820 0.072 0.000 1.972 407 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 407 A C 2.260 179.910 177.584 0.110 0.000 1.169 407 A CA 2.006 54.115 52.037 0.120 0.000 0.635 407 A CB -0.395 18.756 19.000 0.251 0.000 0.810 407 A HN 0.385 nan 8.150 nan 0.000 0.446 408 Q N 0.080 119.959 119.800 0.131 0.000 2.084 408 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 408 Q C 2.083 178.132 176.000 0.082 0.000 0.978 408 Q CA 2.038 57.917 55.803 0.127 0.000 0.844 408 Q CB -0.264 28.600 28.738 0.209 0.000 0.898 408 Q HN 0.441 nan 8.270 nan 0.000 0.426 409 V N 0.485 120.429 119.914 0.051 0.000 2.427 409 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 409 V C 2.352 178.465 176.094 0.031 0.000 1.051 409 V CA 1.986 64.305 62.300 0.032 0.000 1.048 409 V CB -0.845 30.980 31.823 0.002 0.000 0.666 409 V HN 0.360 nan 8.190 nan 0.000 0.456 410 T N 0.489 115.061 114.554 0.031 0.000 2.788 410 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 410 T C 2.066 176.788 174.700 0.036 0.000 1.044 410 T CA 1.611 63.728 62.100 0.029 0.000 1.139 410 T CB -0.353 68.533 68.868 0.029 0.000 0.867 410 T HN 0.577 nan 8.240 nan 0.000 0.454 411 A N 1.180 124.028 122.820 0.045 0.000 1.902 411 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 411 A C 2.553 180.164 177.584 0.046 0.000 1.181 411 A CA 2.025 54.091 52.037 0.048 0.000 0.623 411 A CB -1.179 17.853 19.000 0.053 0.000 0.818 411 A HN 0.467 nan 8.150 nan 0.000 0.443 412 T N 0.328 114.908 114.554 0.044 0.000 2.746 412 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 412 T C 2.199 176.918 174.700 0.030 0.000 1.039 412 T CA 1.516 63.638 62.100 0.038 0.000 1.142 412 T CB -0.419 68.472 68.868 0.039 0.000 0.866 412 T HN 0.593 nan 8.240 nan 0.000 0.444 413 A N 1.266 124.103 122.820 0.028 0.000 1.902 413 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 413 A C 2.293 179.892 177.584 0.025 0.000 1.181 413 A CA 1.137 53.187 52.037 0.023 0.000 0.623 413 A CB -0.806 18.205 19.000 0.019 0.000 0.818 413 A HN 0.477 nan 8.150 nan 0.000 0.443 414 L N -1.135 120.107 121.223 0.031 0.000 2.046 414 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 414 L C 2.561 179.453 176.870 0.036 0.000 1.077 414 L CA 1.151 56.013 54.840 0.036 0.000 0.747 414 L CB -0.541 41.545 42.059 0.045 0.000 0.896 414 L HN 0.469 nan 8.230 nan 0.000 0.432 415 L N 0.236 121.480 121.223 0.035 0.000 2.056 415 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 415 L C 2.660 179.539 176.870 0.015 0.000 1.078 415 L CA 1.938 56.793 54.840 0.025 0.000 0.749 415 L CB -0.681 41.392 42.059 0.023 0.000 0.901 415 L HN 0.128 nan 8.230 nan 0.000 0.433 416 A N -0.798 122.032 122.820 0.017 0.000 1.908 416 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 416 A C 2.336 179.928 177.584 0.012 0.000 1.181 416 A CA 1.967 54.011 52.037 0.013 0.000 0.627 416 A CB -0.784 18.224 19.000 0.014 0.000 0.818 416 A HN 0.632 nan 8.150 nan 0.000 0.445 417 E N -0.704 119.505 120.200 0.016 0.000 2.077 417 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 417 E C 2.059 178.668 176.600 0.016 0.000 0.989 417 E CA 1.315 57.725 56.400 0.016 0.000 0.800 417 E CB -0.198 29.513 29.700 0.019 0.000 0.746 417 E HN 0.684 nan 8.360 nan 0.000 0.452 418 M N -0.033 119.577 119.600 0.017 0.000 2.108 418 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 418 M C 2.306 178.609 176.300 0.005 0.000 1.066 418 M CA 1.575 56.883 55.300 0.013 0.000 1.107 418 M CB -0.218 32.386 32.600 0.007 0.000 1.356 418 M HN 0.010 nan 8.290 nan 0.000 0.406 419 R N 0.116 120.617 120.500 0.001 0.000 2.193 419 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 419 R C 2.193 178.497 176.300 0.007 0.000 1.110 419 R CA 1.089 57.189 56.100 -0.001 0.000 0.988 419 R CB -0.452 29.847 30.300 -0.003 0.000 0.871 419 R HN 0.382 nan 8.270 nan 0.000 0.458 420 A N 0.572 123.398 122.820 0.010 0.000 2.067 420 A HA -0.029 4.290 4.320 -0.000 0.000 0.219 420 A C 0.812 178.407 177.584 0.018 0.000 1.158 420 A CA 0.905 52.950 52.037 0.013 0.000 0.661 420 A CB 0.088 19.095 19.000 0.011 0.000 0.801 420 A HN 0.109 nan 8.150 nan 0.000 0.452 421 T N 0.081 114.647 114.554 0.020 0.000 2.795 421 T HA 0.556 4.906 4.350 -0.000 0.000 0.282 421 T C 0.418 175.140 174.700 0.037 0.000 0.980 421 T CA 0.051 62.168 62.100 0.029 0.000 1.012 421 T CB 1.560 70.445 68.868 0.027 0.000 0.936 421 T HN 0.373 nan 8.240 nan 0.000 0.457 422 G N 2.782 111.617 108.800 0.059 0.000 2.938 422 G HA2 0.685 4.645 3.960 -0.000 0.000 0.258 422 G HA3 0.685 4.645 3.960 -0.000 0.000 0.258 422 G C -2.667 172.281 174.900 0.080 0.000 1.356 422 G CA -1.647 43.491 45.100 0.063 0.000 1.052 422 G HN 0.446 nan 8.290 nan 0.000 0.550 423 P HA 0.240 nan 4.420 nan 0.000 0.265 423 P C 0.339 177.700 177.300 0.102 0.000 1.187 423 P CA 0.441 63.574 63.100 0.056 0.000 0.766 423 P CB 1.243 32.950 31.700 0.012 0.000 0.820 424 A N 1.918 124.801 122.820 0.105 0.000 1.997 424 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 424 A C 2.053 179.706 177.584 0.115 0.000 1.178 424 A CA 0.955 53.096 52.037 0.173 0.000 0.698 424 A CB -0.974 18.097 19.000 0.118 0.000 0.842 424 A HN 0.473 nan 8.150 nan 0.000 0.458 425 S N 0.661 116.382 115.700 0.036 0.000 2.419 425 S HA -0.181 4.289 4.470 -0.000 0.000 0.235 425 S C 1.665 176.229 174.600 -0.060 0.000 1.019 425 S CA 1.572 59.774 58.200 0.002 0.000 0.982 425 S CB -0.692 62.510 63.200 0.003 0.000 0.789 425 S HN 0.791 nan 8.310 nan 0.000 0.490 426 I N -1.355 119.102 120.570 -0.187 0.000 3.444 426 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 426 I C 0.672 176.570 176.117 -0.364 0.000 1.302 426 I CA 0.897 62.027 61.300 -0.284 0.000 1.368 426 I CB -0.341 37.447 38.000 -0.354 0.000 1.048 426 I HN 0.157 nan 8.210 nan 0.000 0.487 427 H N 1.127 120.209 119.070 0.019 0.000 2.524 427 H HA 0.315 4.871 4.556 -0.000 0.000 0.299 427 H C 0.642 175.982 175.328 0.020 0.000 1.074 427 H CA -0.248 55.811 56.048 0.018 0.000 1.115 427 H CB 0.117 29.890 29.762 0.018 0.000 1.522 427 H HN 0.299 nan 8.280 nan 0.000 0.543 428 S N 1.215 116.960 115.700 0.076 0.000 2.552 428 S HA 0.185 4.655 4.470 -0.000 0.000 0.289 428 S C 0.290 174.929 174.600 0.065 0.000 1.304 428 S CA -0.163 58.075 58.200 0.064 0.000 1.063 428 S CB -0.002 63.221 63.200 0.039 0.000 0.848 428 S HN 0.295 nan 8.310 nan 0.000 0.499 429 I N 3.261 123.867 120.570 0.060 0.000 2.569 429 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 429 I C -0.003 176.141 176.117 0.044 0.000 1.088 429 I CA -0.639 60.692 61.300 0.051 0.000 1.047 429 I CB 2.147 40.178 38.000 0.051 0.000 1.237 429 I HN 0.565 nan 8.210 nan 0.000 0.421 430 S N 3.960 119.683 115.700 0.038 0.000 2.515 430 S HA 0.278 4.748 4.470 -0.000 0.000 0.285 430 S C -0.212 174.409 174.600 0.036 0.000 1.265 430 S CA 0.372 58.594 58.200 0.037 0.000 1.079 430 S CB 0.224 63.443 63.200 0.032 0.000 0.877 430 S HN 0.769 nan 8.310 nan 0.000 0.493 431 T N 3.136 117.713 114.554 0.038 0.000 2.654 431 T HA 0.420 4.770 4.350 -0.000 0.000 0.289 431 T C -0.289 174.434 174.700 0.039 0.000 1.062 431 T CA -0.145 61.978 62.100 0.037 0.000 1.041 431 T CB 0.808 69.699 68.868 0.038 0.000 1.417 431 T HN 0.898 nan 8.240 nan 0.000 0.510 432 N N 0.554 119.278 118.700 0.040 0.000 2.738 432 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 432 N C 0.283 175.816 175.510 0.038 0.000 1.047 432 N CA 0.773 53.849 53.050 0.043 0.000 0.707 432 N CB -1.194 37.325 38.487 0.052 0.000 0.937 432 N HN 1.550 nan 8.380 nan 0.000 0.545 433 A N -0.704 122.134 122.820 0.030 0.000 2.783 433 A HA 0.010 4.330 4.320 -0.000 0.000 0.292 433 A C 1.339 178.940 177.584 0.029 0.000 1.495 433 A CA 2.062 54.114 52.037 0.025 0.000 0.787 433 A CB -2.276 16.737 19.000 0.022 0.000 1.017 433 A HN 2.245 nan 8.150 nan 0.000 0.516 434 A N -2.362 120.476 122.820 0.031 0.000 3.396 434 A HA -0.364 3.955 4.320 -0.000 0.000 0.267 434 A C 1.416 179.023 177.584 0.038 0.000 1.139 434 A CA 2.032 54.088 52.037 0.032 0.000 1.115 434 A CB -2.539 16.477 19.000 0.027 0.000 1.133 434 A HN 2.224 nan 8.150 nan 0.000 0.920 435 N N 0.029 118.755 118.700 0.043 0.000 2.142 435 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 435 N C 1.009 176.554 175.510 0.058 0.000 1.023 435 N CA 1.902 54.983 53.050 0.051 0.000 0.852 435 N CB -0.171 38.352 38.487 0.060 0.000 0.998 435 N HN 0.756 nan 8.380 nan 0.000 0.424 436 Q N 0.505 120.338 119.800 0.055 0.000 3.091 436 Q HA 0.064 4.404 4.340 -0.000 0.000 0.301 436 Q C -0.423 175.610 176.000 0.055 0.000 1.337 436 Q CA -0.271 55.570 55.803 0.062 0.000 1.083 436 Q CB 0.517 29.286 28.738 0.053 0.000 1.477 436 Q HN 0.513 nan 8.270 nan 0.000 0.537 437 D N -0.509 119.922 120.400 0.051 0.000 2.350 437 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 437 D C 0.641 176.966 176.300 0.042 0.000 0.968 437 D CA 0.429 54.454 54.000 0.042 0.000 0.894 437 D CB 0.061 40.882 40.800 0.035 0.000 0.909 437 D HN 0.195 nan 8.370 nan 0.000 0.520 438 V N -1.853 118.092 119.914 0.051 0.000 2.733 438 V HA 0.743 4.863 4.120 -0.000 0.000 0.306 438 V C -0.444 175.688 176.094 0.064 0.000 1.084 438 V CA -1.234 61.095 62.300 0.049 0.000 0.905 438 V CB 1.881 33.728 31.823 0.040 0.000 1.010 438 V HN 0.096 nan 8.190 nan 0.000 0.424 439 V N 0.983 120.934 119.914 0.060 0.000 2.876 439 V HA 0.771 4.891 4.120 -0.000 0.000 0.312 439 V C 1.079 177.210 176.094 0.063 0.000 1.085 439 V CA 0.279 62.621 62.300 0.070 0.000 0.945 439 V CB 1.432 33.293 31.823 0.063 0.000 1.017 439 V HN 1.302 nan 8.190 nan 0.000 0.428 440 S N 2.833 118.575 115.700 0.069 0.000 2.395 440 S HA 0.070 4.540 4.470 -0.000 0.000 0.225 440 S C 1.161 175.793 174.600 0.053 0.000 1.027 440 S CA 1.202 59.436 58.200 0.056 0.000 0.965 440 S CB -0.866 62.371 63.200 0.062 0.000 0.812 440 S HN 1.411 nan 8.310 nan 0.000 0.482 441 L N 0.287 121.545 121.223 0.058 0.000 4.040 441 L HA -0.190 4.150 4.340 -0.000 0.000 0.410 441 L C 1.482 178.384 176.870 0.054 0.000 1.187 441 L CA 0.012 54.888 54.840 0.059 0.000 0.956 441 L CB -2.278 39.826 42.059 0.074 0.000 2.022 441 L HN 0.532 nan 8.230 nan 0.000 0.897 442 G N -0.428 108.401 108.800 0.049 0.000 2.432 442 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 442 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 442 G C 1.269 176.194 174.900 0.041 0.000 1.135 442 G CA 1.399 46.524 45.100 0.043 0.000 0.767 442 G HN 0.467 nan 8.290 nan 0.000 0.550 443 T N 1.274 115.851 114.554 0.039 0.000 2.777 443 T HA -0.003 4.347 4.350 -0.000 0.000 0.266 443 T C 2.374 177.096 174.700 0.037 0.000 1.040 443 T CA 0.863 62.983 62.100 0.033 0.000 1.141 443 T CB -0.097 68.786 68.868 0.025 0.000 0.868 443 T HN 0.273 nan 8.240 nan 0.000 0.444 444 I N 1.558 122.152 120.570 0.041 0.000 2.252 444 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 444 I C 3.000 179.148 176.117 0.051 0.000 1.102 444 I CA 0.967 62.293 61.300 0.043 0.000 1.385 444 I CB -0.526 37.502 38.000 0.047 0.000 1.064 444 I HN 0.200 nan 8.210 nan 0.000 0.414 445 A N 0.911 123.765 122.820 0.057 0.000 1.883 445 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 445 A C 2.543 180.165 177.584 0.063 0.000 1.186 445 A CA 2.056 54.130 52.037 0.062 0.000 0.624 445 A CB -0.871 18.164 19.000 0.059 0.000 0.822 445 A HN 0.434 nan 8.150 nan 0.000 0.444 446 A N -0.542 122.315 122.820 0.062 0.000 1.930 446 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 446 A C 2.244 179.867 177.584 0.065 0.000 1.175 446 A CA 1.449 53.530 52.037 0.073 0.000 0.627 446 A CB -0.412 18.630 19.000 0.069 0.000 0.815 446 A HN 0.549 nan 8.150 nan 0.000 0.443 447 R N -0.569 119.963 120.500 0.053 0.000 2.092 447 R HA 0.036 4.376 4.340 -0.000 0.000 0.231 447 R C 1.974 178.303 176.300 0.049 0.000 1.119 447 R CA 1.248 57.377 56.100 0.048 0.000 0.970 447 R CB -0.418 29.903 30.300 0.036 0.000 0.864 447 R HN 0.494 nan 8.270 nan 0.000 0.440 448 L N -0.285 120.967 121.223 0.049 0.000 2.093 448 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 448 L C 2.743 179.643 176.870 0.050 0.000 1.085 448 L CA 0.764 55.632 54.840 0.047 0.000 0.755 448 L CB -0.498 41.590 42.059 0.049 0.000 0.904 448 L HN 0.373 nan 8.230 nan 0.000 0.435 449 C N 0.376 119.709 119.300 0.055 0.000 2.440 449 C HA -0.157 4.303 4.460 -0.000 0.000 0.278 449 C C 3.101 178.131 174.990 0.066 0.000 1.295 449 C CA 0.897 59.947 59.018 0.054 0.000 1.738 449 C CB -0.555 27.218 27.740 0.055 0.000 1.987 449 C HN 0.498 nan 8.230 nan 0.000 0.492 450 R N 1.198 121.741 120.500 0.071 0.000 2.081 450 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 450 R C 2.121 178.469 176.300 0.080 0.000 1.131 450 R CA 2.017 58.165 56.100 0.080 0.000 0.960 450 R CB -0.747 29.598 30.300 0.075 0.000 0.856 450 R HN 0.517 nan 8.270 nan 0.000 0.436 451 E N 0.778 121.018 120.200 0.066 0.000 2.077 451 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 451 E C 1.848 178.492 176.600 0.074 0.000 0.989 451 E CA 1.418 57.855 56.400 0.062 0.000 0.800 451 E CB -0.115 29.614 29.700 0.048 0.000 0.746 451 E HN 0.435 nan 8.360 nan 0.000 0.452 452 K N 0.271 120.714 120.400 0.072 0.000 2.097 452 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 452 K C 2.302 178.991 176.600 0.147 0.000 1.050 452 K CA 0.790 57.124 56.287 0.078 0.000 0.938 452 K CB -0.128 32.395 32.500 0.039 0.000 0.718 452 K HN 0.093 nan 8.250 nan 0.000 0.442 453 I N 1.414 122.084 120.570 0.167 0.000 2.226 453 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 453 I C 1.634 177.875 176.117 0.206 0.000 1.100 453 I CA 1.175 62.631 61.300 0.260 0.000 1.374 453 I CB -0.216 37.904 38.000 0.201 0.000 1.057 453 I HN 0.143 nan 8.210 nan 0.000 0.413 454 D N 0.546 121.025 120.400 0.131 0.000 2.144 454 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 454 D C 2.334 178.689 176.300 0.092 0.000 0.984 454 D CA 0.921 54.974 54.000 0.088 0.000 0.834 454 D CB -0.203 40.638 40.800 0.067 0.000 0.955 454 D HN 0.181 nan 8.370 nan 0.000 0.465 455 R N -0.041 120.529 120.500 0.117 0.000 2.075 455 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 455 R C 2.140 178.549 176.300 0.182 0.000 1.126 455 R CA 0.494 56.662 56.100 0.114 0.000 0.963 455 R CB -1.076 29.282 30.300 0.097 0.000 0.858 455 R HN 0.344 nan 8.270 nan 0.000 0.435 456 W N 1.889 123.190 121.300 0.001 0.000 2.338 456 W HA -0.099 4.561 4.660 -0.000 0.000 0.304 456 W C 2.105 178.615 176.519 -0.015 0.000 1.212 456 W CA 1.419 58.765 57.345 0.001 0.000 1.264 456 W CB -0.623 28.845 29.460 0.013 0.000 1.142 456 W HN 0.145 nan 8.180 nan 0.000 0.512 457 A N 0.103 122.928 122.820 0.010 0.000 1.933 457 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 457 A C 1.861 179.362 177.584 -0.139 0.000 1.175 457 A CA 1.971 53.900 52.037 -0.181 0.000 0.628 457 A CB -0.728 18.193 19.000 -0.131 0.000 0.814 457 A HN 0.461 nan 8.150 nan 0.000 0.444 458 E N -0.401 119.775 120.200 -0.041 0.000 2.107 458 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 458 E C 1.824 178.407 176.600 -0.027 0.000 0.982 458 E CA 1.036 57.412 56.400 -0.039 0.000 0.809 458 E CB -0.225 29.475 29.700 0.001 0.000 0.756 458 E HN 0.696 nan 8.360 nan 0.000 0.459 459 I N 0.859 121.449 120.570 0.034 0.000 2.252 459 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 459 I C 2.196 178.321 176.117 0.014 0.000 1.102 459 I CA 0.966 62.302 61.300 0.060 0.000 1.385 459 I CB -0.132 37.960 38.000 0.153 0.000 1.064 459 I HN 0.114 nan 8.210 nan 0.000 0.414 460 L N 0.391 121.593 121.223 -0.035 0.000 2.083 460 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 460 L C 2.826 179.583 176.870 -0.187 0.000 1.083 460 L CA 1.170 55.943 54.840 -0.111 0.000 0.752 460 L CB -0.671 41.232 42.059 -0.260 0.000 0.899 460 L HN 0.240 nan 8.230 nan 0.000 0.433 461 A N 0.366 123.047 122.820 -0.231 0.000 1.902 461 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 461 A C 2.210 179.669 177.584 -0.208 0.000 1.181 461 A CA 1.492 53.359 52.037 -0.284 0.000 0.623 461 A CB -0.604 18.238 19.000 -0.264 0.000 0.818 461 A HN 0.336 nan 8.150 nan 0.000 0.443 462 I N -0.848 119.648 120.570 -0.124 0.000 2.179 462 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 462 I C 2.435 178.475 176.117 -0.127 0.000 1.088 462 I CA 1.321 62.572 61.300 -0.081 0.000 1.357 462 I CB -0.291 37.699 38.000 -0.016 0.000 1.051 462 I HN 0.408 nan 8.210 nan 0.000 0.409 463 L N 1.242 122.409 121.223 -0.093 0.000 2.079 463 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 463 L C 2.511 179.316 176.870 -0.107 0.000 1.081 463 L CA 2.152 56.942 54.840 -0.084 0.000 0.752 463 L CB -0.789 41.262 42.059 -0.013 0.000 0.896 463 L HN 0.195 nan 8.230 nan 0.000 0.433 464 A N -0.586 122.166 122.820 -0.114 0.000 1.902 464 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 464 A C 2.258 179.766 177.584 -0.127 0.000 1.181 464 A CA 1.926 53.909 52.037 -0.090 0.000 0.623 464 A CB -0.842 18.061 19.000 -0.161 0.000 0.818 464 A HN 0.507 nan 8.150 nan 0.000 0.443 465 L N -0.917 120.192 121.223 -0.190 0.000 2.056 465 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 465 L C 2.710 179.377 176.870 -0.338 0.000 1.078 465 L CA 1.174 55.918 54.840 -0.159 0.000 0.749 465 L CB -0.686 41.344 42.059 -0.049 0.000 0.901 465 L HN 0.479 nan 8.230 nan 0.000 0.433 466 C N -0.184 118.762 119.300 -0.590 0.000 2.429 466 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 466 C C 2.747 177.531 174.990 -0.343 0.000 1.262 466 C CA 0.482 59.016 59.018 -0.808 0.000 1.733 466 C CB -0.754 26.632 27.740 -0.590 0.000 2.010 466 C HN 0.431 nan 8.230 nan 0.000 0.483 467 L N 0.843 121.956 121.223 -0.183 0.000 2.141 467 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 467 L C 2.838 179.692 176.870 -0.027 0.000 1.094 467 L CA 1.378 56.177 54.840 -0.069 0.000 0.763 467 L CB -0.638 41.413 42.059 -0.013 0.000 0.908 467 L HN 0.335 nan 8.230 nan 0.000 0.437 468 A N -0.333 122.475 122.820 -0.019 0.000 1.902 468 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 468 A C 2.208 179.819 177.584 0.045 0.000 1.181 468 A CA 1.881 53.939 52.037 0.035 0.000 0.623 468 A CB -0.481 18.557 19.000 0.062 0.000 0.818 468 A HN 0.415 nan 8.150 nan 0.000 0.443 469 Q N -0.342 119.484 119.800 0.044 0.000 2.079 469 Q HA 0.005 4.345 4.340 -0.000 0.000 0.200 469 Q C 2.055 178.086 176.000 0.052 0.000 0.974 469 Q CA 1.978 57.842 55.803 0.101 0.000 0.840 469 Q CB -0.485 28.402 28.738 0.248 0.000 0.898 469 Q HN 0.544 nan 8.270 nan 0.000 0.430 470 A N 0.442 123.264 122.820 0.003 0.000 1.902 470 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 470 A C 2.305 179.896 177.584 0.010 0.000 1.181 470 A CA 1.753 53.790 52.037 -0.001 0.000 0.623 470 A CB -1.216 17.768 19.000 -0.026 0.000 0.818 470 A HN 0.548 nan 8.150 nan 0.000 0.443 471 A N -0.012 122.817 122.820 0.015 0.000 1.883 471 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 471 A C 1.920 179.519 177.584 0.024 0.000 1.186 471 A CA 1.737 53.787 52.037 0.022 0.000 0.624 471 A CB -0.558 18.460 19.000 0.030 0.000 0.822 471 A HN 0.654 nan 8.150 nan 0.000 0.444 472 E N -0.309 119.909 120.200 0.031 0.000 2.107 472 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 472 E C 1.921 178.534 176.600 0.022 0.000 0.982 472 E CA 0.887 57.305 56.400 0.030 0.000 0.809 472 E CB -0.242 29.483 29.700 0.041 0.000 0.756 472 E HN 0.613 nan 8.360 nan 0.000 0.459 473 L N 0.432 121.667 121.223 0.020 0.000 2.093 473 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 473 L C 2.626 179.497 176.870 0.002 0.000 1.085 473 L CA 0.861 55.705 54.840 0.007 0.000 0.755 473 L CB -0.120 41.941 42.059 0.002 0.000 0.904 473 L HN 0.010 nan 8.230 nan 0.000 0.435 474 R N -0.342 120.160 120.500 0.005 0.000 2.075 474 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 474 R C 1.779 178.081 176.300 0.004 0.000 1.114 474 R CA 1.576 57.677 56.100 0.002 0.000 0.972 474 R CB -0.355 29.946 30.300 0.002 0.000 0.869 474 R HN 0.338 nan 8.270 nan 0.000 0.437 475 C N 0.078 119.383 119.300 0.008 0.000 3.183 475 C HA 0.652 5.112 4.460 -0.000 0.000 0.285 475 C C 0.620 175.617 174.990 0.011 0.000 1.313 475 C CA -0.300 58.723 59.018 0.009 0.000 1.711 475 C CB -0.697 27.049 27.740 0.011 0.000 2.135 475 C HN 0.736 nan 8.230 nan 0.000 0.651 476 G N 1.696 110.503 108.800 0.012 0.000 2.758 476 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.686 476 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.686 476 G C 0.728 175.638 174.900 0.017 0.000 1.389 476 G CA 0.098 45.206 45.100 0.013 0.000 0.845 476 G HN 0.767 nan 8.290 nan 0.000 0.572 477 S N -0.617 115.093 115.700 0.018 0.000 2.419 477 S HA 0.011 4.481 4.470 -0.000 0.000 0.235 477 S C 2.456 177.069 174.600 0.021 0.000 1.019 477 S CA 2.002 60.216 58.200 0.022 0.000 0.982 477 S CB -0.339 62.874 63.200 0.021 0.000 0.789 477 S HN 2.213 nan 8.310 nan 0.000 0.490 478 G N 0.915 109.725 108.800 0.017 0.000 2.744 478 G HA2 0.311 4.271 3.960 -0.000 0.000 0.211 478 G HA3 0.311 4.271 3.960 -0.000 0.000 0.211 478 G C 0.564 175.474 174.900 0.017 0.000 1.143 478 G CA 0.055 45.165 45.100 0.016 0.000 0.788 478 G HN 0.637 nan 8.290 nan 0.000 0.534 479 L N 0.901 122.134 121.223 0.018 0.000 3.677 479 L HA -0.144 4.196 4.340 -0.000 0.000 0.464 479 L C -0.870 176.008 176.870 0.014 0.000 1.278 479 L CA -0.143 54.708 54.840 0.018 0.000 0.806 479 L CB -1.733 40.340 42.059 0.023 0.000 1.610 479 L HN 0.208 nan 8.230 nan 0.000 0.867 480 D N 1.361 121.768 120.400 0.011 0.000 2.458 480 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 480 D C 1.362 177.666 176.300 0.007 0.000 1.146 480 D CA 1.385 55.390 54.000 0.009 0.000 0.877 480 D CB 1.333 42.137 40.800 0.007 0.000 1.176 480 D HN 0.552 nan 8.370 nan 0.000 0.461 481 G N 1.469 110.272 108.800 0.006 0.000 2.205 481 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 481 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 481 G C 0.474 175.377 174.900 0.005 0.000 0.980 481 G CA 0.146 45.247 45.100 0.003 0.000 0.632 481 G HN 0.514 nan 8.290 nan 0.000 0.533 482 V N 2.530 122.451 119.914 0.011 0.000 2.686 482 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 482 V C 1.468 177.571 176.094 0.016 0.000 1.055 482 V CA 0.148 62.458 62.300 0.016 0.000 1.050 482 V CB 1.385 33.220 31.823 0.021 0.000 0.984 482 V HN 1.056 nan 8.190 nan 0.000 0.482 483 S N 5.061 120.773 115.700 0.020 0.000 2.566 483 S HA 0.114 4.584 4.470 -0.000 0.000 0.280 483 S C -1.702 172.908 174.600 0.016 0.000 1.343 483 S CA -0.622 57.590 58.200 0.019 0.000 1.036 483 S CB 0.482 63.698 63.200 0.027 0.000 0.866 483 S HN 0.583 nan 8.310 nan 0.000 0.526 484 P HA -0.074 nan 4.420 nan 0.000 0.215 484 P C 1.615 178.918 177.300 0.006 0.000 1.153 484 P CA 1.959 65.064 63.100 0.008 0.000 0.853 484 P CB -0.227 31.476 31.700 0.005 0.000 0.788 485 A N -0.323 122.498 122.820 0.002 0.000 1.898 485 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 485 A C 2.483 180.065 177.584 -0.003 0.000 1.181 485 A CA 2.022 54.053 52.037 -0.010 0.000 0.620 485 A CB -1.848 17.141 19.000 -0.018 0.000 0.819 485 A HN 0.272 nan 8.150 nan 0.000 0.442 486 G N -0.319 108.488 108.800 0.013 0.000 2.418 486 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 486 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 486 G C 1.685 176.603 174.900 0.030 0.000 1.158 486 G CA 1.110 46.225 45.100 0.025 0.000 0.771 486 G HN 0.564 nan 8.290 nan 0.000 0.545 487 K N 0.224 120.639 120.400 0.025 0.000 2.026 487 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 487 K C 2.451 179.070 176.600 0.031 0.000 1.048 487 K CA 1.364 57.668 56.287 0.028 0.000 0.929 487 K CB -0.163 32.350 32.500 0.022 0.000 0.713 487 K HN 0.242 nan 8.250 nan 0.000 0.439 488 K N 1.354 121.768 120.400 0.023 0.000 2.063 488 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 488 K C 2.160 178.783 176.600 0.039 0.000 1.048 488 K CA 1.122 57.423 56.287 0.023 0.000 0.928 488 K CB -0.110 32.395 32.500 0.007 0.000 0.713 488 K HN 0.119 nan 8.250 nan 0.000 0.442 489 L N 0.577 121.822 121.223 0.037 0.000 2.027 489 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 489 L C 2.094 179.034 176.870 0.117 0.000 1.074 489 L CA 1.074 55.957 54.840 0.073 0.000 0.745 489 L CB -0.146 41.942 42.059 0.049 0.000 0.898 489 L HN 0.017 nan 8.230 nan 0.000 0.433 490 V N 0.041 120.009 119.914 0.090 0.000 2.295 490 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 490 V C 2.478 178.626 176.094 0.091 0.000 1.049 490 V CA 2.092 64.448 62.300 0.093 0.000 1.024 490 V CB -0.696 31.169 31.823 0.069 0.000 0.648 490 V HN 0.560 nan 8.190 nan 0.000 0.447 491 Q N 0.008 119.850 119.800 0.070 0.000 2.124 491 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 491 Q C 2.402 178.443 176.000 0.068 0.000 0.977 491 Q CA 1.764 57.602 55.803 0.059 0.000 0.850 491 Q CB -0.448 28.316 28.738 0.042 0.000 0.901 491 Q HN 0.677 nan 8.270 nan 0.000 0.429 492 A N 0.938 123.808 122.820 0.084 0.000 1.898 492 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 492 A C 2.078 179.732 177.584 0.118 0.000 1.181 492 A CA 0.993 53.085 52.037 0.092 0.000 0.620 492 A CB -0.602 18.470 19.000 0.119 0.000 0.819 492 A HN 0.275 nan 8.150 nan 0.000 0.442 493 L N -1.048 120.278 121.223 0.171 0.000 2.046 493 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 493 L C 2.654 179.669 176.870 0.242 0.000 1.077 493 L CA 0.952 55.945 54.840 0.256 0.000 0.747 493 L CB -0.425 41.766 42.059 0.220 0.000 0.896 493 L HN 0.265 nan 8.230 nan 0.000 0.432 494 R N 0.342 120.931 120.500 0.148 0.000 2.293 494 R HA -0.135 4.205 4.340 -0.000 0.000 0.219 494 R C 1.813 178.134 176.300 0.035 0.000 1.091 494 R CA 0.748 56.909 56.100 0.103 0.000 1.004 494 R CB -0.370 29.977 30.300 0.078 0.000 0.865 494 R HN 0.537 nan 8.270 nan 0.000 0.469 495 E N -0.061 120.146 120.200 0.012 0.000 2.274 495 E HA -0.121 4.228 4.350 -0.000 0.000 0.194 495 E C 1.344 177.865 176.600 -0.132 0.000 0.996 495 E CA 0.712 57.086 56.400 -0.043 0.000 0.840 495 E CB 0.308 29.987 29.700 -0.034 0.000 0.772 495 E HN 0.223 nan 8.360 nan 0.000 0.491 496 Q N -1.276 118.386 119.800 -0.230 0.000 2.288 496 Q HA 0.141 4.481 4.340 -0.000 0.000 0.256 496 Q C -0.432 175.084 176.000 -0.807 0.000 0.835 496 Q CA 0.284 55.748 55.803 -0.566 0.000 0.958 496 Q CB 0.946 29.182 28.738 -0.836 0.000 1.125 496 Q HN 0.100 nan 8.270 nan 0.000 0.513 497 F N 3.373 123.316 119.950 -0.013 0.000 2.434 497 F HA 0.407 4.934 4.527 -0.000 0.000 0.355 497 F C -2.085 173.728 175.800 0.022 0.000 1.115 497 F CA -2.540 55.464 58.000 0.005 0.000 1.010 497 F CB 1.485 40.492 39.000 0.011 0.000 1.234 497 F HN -0.169 nan 8.300 nan 0.000 0.439 498 P HA 0.166 nan 4.420 nan 0.000 0.274 498 P C -2.539 174.832 177.300 0.120 0.000 1.237 498 P CA -1.242 61.914 63.100 0.093 0.000 0.793 498 P CB 0.411 32.139 31.700 0.047 0.000 0.977 499 P HA 0.054 nan 4.420 nan 0.000 0.270 499 P C -0.328 177.021 177.300 0.081 0.000 1.223 499 P CA -0.176 62.986 63.100 0.104 0.000 0.785 499 P CB 0.434 32.180 31.700 0.078 0.000 0.923 500 L N 2.058 123.332 121.223 0.085 0.000 2.358 500 L HA 0.160 4.500 4.340 -0.000 0.000 0.274 500 L C 1.270 178.144 176.870 0.007 0.000 1.136 500 L CA 0.418 55.256 54.840 -0.003 0.000 0.970 500 L CB -0.713 41.261 42.059 -0.141 0.000 1.314 500 L HN 0.303 nan 8.230 nan 0.000 0.427 501 E N 0.934 121.141 120.200 0.010 0.000 2.299 501 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 501 E C 0.210 176.818 176.600 0.013 0.000 0.998 501 E CA 0.458 56.867 56.400 0.016 0.000 0.851 501 E CB 0.412 30.122 29.700 0.017 0.000 0.795 501 E HN 0.571 nan 8.360 nan 0.000 0.492 502 T N 0.189 114.741 114.554 -0.004 0.000 2.889 502 T HA 0.103 4.453 4.350 -0.000 0.000 0.315 502 T C -1.803 172.874 174.700 -0.039 0.000 1.291 502 T CA -0.998 61.098 62.100 -0.006 0.000 1.028 502 T CB 1.368 70.235 68.868 -0.002 0.000 1.235 502 T HN -0.225 nan 8.240 nan 0.000 0.491 503 D N 2.923 123.297 120.400 -0.044 0.000 2.533 503 D HA 0.321 4.961 4.640 -0.000 0.000 0.236 503 D C 0.591 176.849 176.300 -0.070 0.000 1.137 503 D CA 0.663 54.616 54.000 -0.079 0.000 0.867 503 D CB 0.374 41.134 40.800 -0.068 0.000 1.170 503 D HN 0.680 nan 8.370 nan 0.000 0.474 504 R N 0.501 120.947 120.500 -0.090 0.000 2.710 504 R HA 0.614 4.954 4.340 -0.000 0.000 0.270 504 R C -3.134 173.129 176.300 -0.062 0.000 1.021 504 R CA -1.725 54.338 56.100 -0.061 0.000 0.889 504 R CB 0.315 30.588 30.300 -0.044 0.000 1.243 504 R HN -0.010 nan 8.270 nan 0.000 0.464 505 P HA 0.104 nan 4.420 nan 0.000 0.263 505 P C -0.294 176.997 177.300 -0.014 0.000 1.195 505 P CA -0.135 62.950 63.100 -0.025 0.000 0.762 505 P CB 0.556 32.248 31.700 -0.013 0.000 0.799 506 L N 1.824 123.039 121.223 -0.012 0.000 2.638 506 L HA 0.163 4.503 4.340 -0.000 0.000 0.232 506 L C 2.343 179.229 176.870 0.026 0.000 1.099 506 L CA 0.437 55.285 54.840 0.013 0.000 0.883 506 L CB -0.355 41.712 42.059 0.013 0.000 1.136 506 L HN 0.526 nan 8.230 nan 0.000 0.492 507 G N 0.230 109.039 108.800 0.016 0.000 2.529 507 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.219 507 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.219 507 G C 1.413 176.328 174.900 0.024 0.000 1.177 507 G CA 0.780 45.890 45.100 0.017 0.000 0.773 507 G HN 0.381 nan 8.290 nan 0.000 0.573 508 Q N -0.154 119.666 119.800 0.033 0.000 2.119 508 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 508 Q C 2.528 178.577 176.000 0.083 0.000 0.972 508 Q CA 1.207 57.038 55.803 0.047 0.000 0.847 508 Q CB -0.099 28.664 28.738 0.042 0.000 0.903 508 Q HN 0.630 nan 8.270 nan 0.000 0.433 509 E N 0.574 120.838 120.200 0.108 0.000 2.106 509 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 509 E C 1.965 178.576 176.600 0.018 0.000 0.984 509 E CA 0.753 57.270 56.400 0.195 0.000 0.806 509 E CB -0.022 29.811 29.700 0.222 0.000 0.750 509 E HN 0.343 nan 8.360 nan 0.000 0.458 510 I N 1.121 121.676 120.570 -0.025 0.000 2.179 510 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 510 I C 2.575 178.656 176.117 -0.061 0.000 1.088 510 I CA 1.042 62.294 61.300 -0.079 0.000 1.357 510 I CB -0.335 37.645 38.000 -0.032 0.000 1.051 510 I HN 0.085 nan 8.210 nan 0.000 0.409 511 A N 0.721 123.535 122.820 -0.009 0.000 1.902 511 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 511 A C 2.531 180.126 177.584 0.018 0.000 1.181 511 A CA 1.973 54.011 52.037 0.002 0.000 0.623 511 A CB -0.880 18.130 19.000 0.017 0.000 0.818 511 A HN 0.446 nan 8.150 nan 0.000 0.443 512 A N -0.645 122.213 122.820 0.063 0.000 1.902 512 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 512 A C 2.130 179.790 177.584 0.128 0.000 1.181 512 A CA 1.726 53.834 52.037 0.118 0.000 0.623 512 A CB -0.592 18.530 19.000 0.202 0.000 0.818 512 A HN 0.708 nan 8.150 nan 0.000 0.443 513 L N -0.261 120.986 121.223 0.040 0.000 2.093 513 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 513 L C 2.610 179.396 176.870 -0.140 0.000 1.085 513 L CA 2.021 56.794 54.840 -0.111 0.000 0.755 513 L CB -0.836 40.889 42.059 -0.556 0.000 0.904 513 L HN 0.333 nan 8.230 nan 0.000 0.435 514 A N -1.427 121.309 122.820 -0.140 0.000 1.908 514 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 514 A C 2.258 179.782 177.584 -0.099 0.000 1.181 514 A CA 2.319 54.265 52.037 -0.151 0.000 0.627 514 A CB -1.235 17.707 19.000 -0.097 0.000 0.818 514 A HN 0.507 nan 8.150 nan 0.000 0.445 515 T N -1.436 113.103 114.554 -0.025 0.000 2.788 515 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 515 T C 1.853 176.562 174.700 0.015 0.000 1.044 515 T CA 1.916 64.021 62.100 0.009 0.000 1.139 515 T CB -0.381 68.512 68.868 0.041 0.000 0.867 515 T HN 0.805 nan 8.240 nan 0.000 0.454 516 H N 1.104 120.132 119.070 -0.070 0.000 2.333 516 H HA 0.133 4.689 4.556 -0.000 0.000 0.302 516 H C 2.013 177.267 175.328 -0.124 0.000 1.075 516 H CA 1.161 57.172 56.048 -0.062 0.000 1.348 516 H CB -0.495 29.254 29.762 -0.022 0.000 1.393 516 H HN 0.227 nan 8.280 nan 0.000 0.509 517 L N 0.010 121.041 121.223 -0.319 0.000 2.127 517 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 517 L C 2.273 178.987 176.870 -0.261 0.000 1.089 517 L CA 1.055 55.567 54.840 -0.548 0.000 0.757 517 L CB -0.517 41.046 42.059 -0.826 0.000 0.899 517 L HN 0.336 nan 8.230 nan 0.000 0.434 518 L N -0.810 120.302 121.223 -0.186 0.000 2.291 518 L HA -0.152 4.188 4.340 -0.000 0.000 0.214 518 L C 2.234 179.070 176.870 -0.056 0.000 1.120 518 L CA 0.946 55.743 54.840 -0.071 0.000 0.799 518 L CB -0.208 41.841 42.059 -0.016 0.000 0.925 518 L HN 0.379 nan 8.230 nan 0.000 0.446 519 Q N -1.493 118.183 119.800 -0.208 0.000 2.316 519 Q HA 0.201 4.541 4.340 -0.000 0.000 0.235 519 Q C -0.004 175.568 176.000 -0.713 0.000 0.863 519 Q CA 0.086 55.728 55.803 -0.269 0.000 0.939 519 Q CB 0.985 29.675 28.738 -0.080 0.000 1.108 519 Q HN 0.446 nan 8.270 nan 0.000 0.522 520 Q N -0.031 119.316 119.800 -0.755 0.000 2.379 520 Q HA 0.482 4.822 4.340 -0.000 0.000 0.278 520 Q C -1.236 174.646 176.000 -0.197 0.000 1.068 520 Q CA -0.444 54.994 55.803 -0.608 0.000 0.816 520 Q CB 2.667 31.169 28.738 -0.394 0.000 1.387 520 Q HN -0.066 nan 8.270 nan 0.000 0.413 521 S N 1.891 117.548 115.700 -0.071 0.000 2.690 521 S HA 0.560 5.030 4.470 -0.000 0.000 0.291 521 S C -2.414 171.967 174.600 -0.365 0.000 1.138 521 S CA -1.163 56.934 58.200 -0.171 0.000 1.013 521 S CB 0.937 64.083 63.200 -0.090 0.000 1.053 521 S HN 0.421 nan 8.310 nan 0.000 0.539 522 P HA 0.354 nan 4.420 nan 0.000 0.277 522 P C -1.067 176.028 177.300 -0.341 0.000 1.354 522 P CA -0.011 62.667 63.100 -0.703 0.000 0.891 522 P CB 0.225 31.196 31.700 -1.214 0.000 1.058 523 V N 0.000 119.814 119.914 -0.167 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.239 62.300 -0.101 0.000 1.235 523 V CB 0.000 31.778 31.823 -0.075 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556