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_E 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 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.183 nan 4.420 nan 0.000 0.268 9 P C -1.182 176.127 177.300 0.016 0.000 1.208 9 P CA -0.399 62.712 63.100 0.019 0.000 0.777 9 P CB 1.118 32.832 31.700 0.024 0.000 0.875 10 A N 2.094 124.921 122.820 0.013 0.000 2.355 10 A HA 0.525 4.845 4.320 -0.000 0.000 0.317 10 A C -0.662 176.926 177.584 0.007 0.000 1.094 10 A CA -0.729 51.313 52.037 0.008 0.000 0.764 10 A CB 1.474 20.477 19.000 0.006 0.000 1.230 10 A HN 0.336 nan 8.150 nan 0.000 0.448 11 V N 2.260 122.175 119.914 0.002 0.000 2.383 11 V HA 0.279 4.399 4.120 -0.000 0.000 0.275 11 V C 0.308 176.400 176.094 -0.003 0.000 1.036 11 V CA -0.294 62.006 62.300 0.000 0.000 0.889 11 V CB 1.213 33.032 31.823 -0.006 0.000 0.985 11 V HN 0.957 nan 8.190 nan 0.000 0.459 12 E N 4.613 124.814 120.200 0.001 0.000 2.081 12 E HA 0.382 4.732 4.350 -0.000 0.000 0.281 12 E C -0.976 175.624 176.600 -0.000 0.000 0.986 12 E CA -0.771 55.629 56.400 0.001 0.000 0.796 12 E CB 1.257 30.960 29.700 0.005 0.000 1.085 12 E HN 0.566 nan 8.360 nan 0.000 0.398 13 L N 5.363 126.582 121.223 -0.007 0.000 2.265 13 L HA 0.316 4.656 4.340 -0.000 0.000 0.288 13 L C -0.238 176.631 176.870 -0.002 0.000 1.058 13 L CA 0.416 55.250 54.840 -0.010 0.000 0.809 13 L CB 1.290 43.336 42.059 -0.022 0.000 1.179 13 L HN 0.709 nan 8.230 nan 0.000 0.429 14 D N 2.890 123.295 120.400 0.007 0.000 3.061 14 D HA 0.182 4.822 4.640 -0.000 0.000 0.243 14 D C 1.321 177.631 176.300 0.016 0.000 1.572 14 D CA 0.738 54.746 54.000 0.012 0.000 1.269 14 D CB 0.728 41.539 40.800 0.019 0.000 1.023 14 D HN 0.604 nan 8.370 nan 0.000 0.280 15 R N -1.738 118.783 120.500 0.036 0.000 2.276 15 R HA 0.197 4.537 4.340 -0.000 0.000 0.195 15 R C 0.110 176.457 176.300 0.079 0.000 0.908 15 R CA -0.122 56.006 56.100 0.047 0.000 1.083 15 R CB 0.758 31.088 30.300 0.051 0.000 1.182 15 R HN 0.213 nan 8.270 nan 0.000 0.608 16 H N -0.084 118.978 119.070 -0.012 0.000 2.572 16 H HA 0.546 5.102 4.556 -0.000 0.000 0.359 16 H C -1.522 173.800 175.328 -0.010 0.000 1.134 16 H CA -0.675 55.365 56.048 -0.013 0.000 1.187 16 H CB 1.604 31.359 29.762 -0.012 0.000 1.597 16 H HN -0.014 nan 8.280 nan 0.000 0.524 17 I N 4.195 124.422 120.570 -0.571 0.000 2.619 17 I HA 0.265 4.435 4.170 -0.000 0.000 0.292 17 I C -1.209 174.623 176.117 -0.475 0.000 1.100 17 I CA -0.850 60.255 61.300 -0.325 0.000 1.043 17 I CB 1.539 39.431 38.000 -0.180 0.000 1.239 17 I HN 0.850 nan 8.210 nan 0.000 0.420 18 D N 6.052 126.353 120.400 -0.166 0.000 2.387 18 D HA 0.224 4.864 4.640 -0.000 0.000 0.251 18 D C 1.010 177.287 176.300 -0.040 0.000 1.141 18 D CA -0.581 53.385 54.000 -0.057 0.000 0.987 18 D CB 0.987 41.833 40.800 0.076 0.000 1.116 18 D HN 0.502 nan 8.370 nan 0.000 0.491 19 L N -0.351 120.873 121.223 0.001 0.000 2.079 19 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 19 L C 1.450 178.361 176.870 0.068 0.000 1.081 19 L CA 1.372 56.230 54.840 0.030 0.000 0.752 19 L CB -0.501 41.587 42.059 0.049 0.000 0.896 19 L HN 0.449 nan 8.230 nan 0.000 0.433 20 D N -0.167 120.274 120.400 0.069 0.000 2.117 20 D HA -0.168 4.471 4.640 -0.000 0.000 0.198 20 D C 2.335 178.684 176.300 0.081 0.000 0.982 20 D CA 1.069 55.127 54.000 0.098 0.000 0.828 20 D CB -0.101 40.746 40.800 0.078 0.000 0.967 20 D HN 0.414 nan 8.370 nan 0.000 0.464 21 Q N 0.382 120.207 119.800 0.043 0.000 2.084 21 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 21 Q C 2.236 178.239 176.000 0.004 0.000 0.978 21 Q CA 1.318 57.134 55.803 0.021 0.000 0.844 21 Q CB -0.099 28.640 28.738 0.001 0.000 0.898 21 Q HN 0.200 nan 8.270 nan 0.000 0.426 22 A N 0.929 123.747 122.820 -0.004 0.000 1.883 22 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 22 A C 1.966 179.535 177.584 -0.025 0.000 1.186 22 A CA 1.684 53.706 52.037 -0.025 0.000 0.624 22 A CB -0.876 18.108 19.000 -0.027 0.000 0.822 22 A HN 0.451 nan 8.150 nan 0.000 0.444 23 H N -0.057 118.967 119.070 -0.077 0.000 2.423 23 H HA 0.007 4.563 4.556 -0.000 0.000 0.297 23 H C 2.278 177.528 175.328 -0.129 0.000 1.075 23 H CA 1.463 57.427 56.048 -0.140 0.000 1.342 23 H CB -0.165 29.431 29.762 -0.276 0.000 1.395 23 H HN 0.414 nan 8.280 nan 0.000 0.530 24 A N 0.464 123.292 122.820 0.013 0.000 1.908 24 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 24 A C 2.842 180.395 177.584 -0.052 0.000 1.181 24 A CA 1.750 53.792 52.037 0.009 0.000 0.627 24 A CB -0.887 18.138 19.000 0.042 0.000 0.818 24 A HN 0.291 nan 8.150 nan 0.000 0.445 25 V N -0.320 119.552 119.914 -0.069 0.000 2.323 25 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 25 V C 3.063 179.067 176.094 -0.150 0.000 1.041 25 V CA 1.811 64.062 62.300 -0.082 0.000 1.025 25 V CB -1.250 30.528 31.823 -0.075 0.000 0.656 25 V HN 0.610 nan 8.190 nan 0.000 0.451 26 A N 0.858 123.549 122.820 -0.216 0.000 1.908 26 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 26 A C 2.384 179.751 177.584 -0.361 0.000 1.181 26 A CA 2.302 54.152 52.037 -0.311 0.000 0.627 26 A CB -0.699 18.117 19.000 -0.306 0.000 0.818 26 A HN 0.698 nan 8.150 nan 0.000 0.445 27 S N -1.912 113.596 115.700 -0.320 0.000 2.603 27 S HA 0.371 4.841 4.470 -0.000 0.000 0.220 27 S C 1.383 176.123 174.600 0.233 0.000 0.967 27 S CA 1.011 59.177 58.200 -0.056 0.000 0.920 27 S CB -0.365 62.706 63.200 -0.215 0.000 0.773 27 S HN 1.952 nan 8.310 nan 0.000 0.529 28 G N 0.416 109.280 108.800 0.106 0.000 2.148 28 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.254 28 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.254 28 G C 0.838 175.810 174.900 0.121 0.000 0.981 28 G CA 0.145 45.366 45.100 0.201 0.000 0.670 28 G HN 0.952 nan 8.290 nan 0.000 0.528 29 G N -0.493 108.351 108.800 0.074 0.000 2.511 29 G HA2 0.556 4.516 3.960 -0.000 0.000 0.217 29 G HA3 0.556 4.516 3.960 -0.000 0.000 0.217 29 G C 0.664 175.592 174.900 0.046 0.000 1.133 29 G CA 1.718 46.857 45.100 0.064 0.000 0.792 29 G HN 1.818 nan 8.290 nan 0.000 0.539 30 A N -0.452 122.386 122.820 0.030 0.000 2.498 30 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 30 A C -0.236 177.354 177.584 0.010 0.000 1.075 30 A CA -0.832 51.217 52.037 0.020 0.000 0.714 30 A CB 1.527 20.537 19.000 0.017 0.000 1.299 30 A HN 0.204 nan 8.150 nan 0.000 0.407 31 R N 0.021 120.527 120.500 0.009 0.000 2.583 31 R HA 0.634 4.974 4.340 -0.000 0.000 0.268 31 R C -0.683 175.613 176.300 -0.007 0.000 1.101 31 R CA -0.352 55.749 56.100 0.002 0.000 1.180 31 R CB 1.120 31.423 30.300 0.005 0.000 1.128 31 R HN 0.685 nan 8.270 nan 0.000 0.568 32 I N 0.816 121.378 120.570 -0.013 0.000 2.509 32 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 32 I C -1.359 174.750 176.117 -0.014 0.000 1.020 32 I CA -0.917 60.373 61.300 -0.017 0.000 1.088 32 I CB 1.936 39.918 38.000 -0.029 0.000 1.267 32 I HN 0.285 nan 8.210 nan 0.000 0.430 33 V N 8.056 127.963 119.914 -0.012 0.000 2.709 33 V HA 0.508 4.628 4.120 -0.000 0.000 0.308 33 V C -1.438 174.650 176.094 -0.010 0.000 1.062 33 V CA -0.686 61.608 62.300 -0.009 0.000 0.901 33 V CB 2.058 33.878 31.823 -0.005 0.000 1.003 33 V HN 0.648 nan 8.190 nan 0.000 0.425 34 L N 6.770 127.987 121.223 -0.011 0.000 2.260 34 L HA 0.789 5.129 4.340 -0.000 0.000 0.289 34 L C 0.690 177.556 176.870 -0.007 0.000 1.057 34 L CA 0.469 55.303 54.840 -0.011 0.000 0.811 34 L CB 0.791 42.842 42.059 -0.013 0.000 1.184 34 L HN 0.919 nan 8.230 nan 0.000 0.429 35 A N 6.867 129.685 122.820 -0.004 0.000 2.466 35 A HA 0.353 4.673 4.320 -0.000 0.000 0.238 35 A C -1.564 176.019 177.584 -0.002 0.000 1.074 35 A CA -0.703 51.333 52.037 -0.001 0.000 0.774 35 A CB -0.357 18.645 19.000 0.003 0.000 1.015 35 A HN 0.786 nan 8.150 nan 0.000 0.498 36 P HA -0.148 nan 4.420 nan 0.000 0.216 36 P C -1.461 175.838 177.300 -0.001 0.000 1.154 36 P CA 1.801 64.900 63.100 -0.002 0.000 0.865 36 P CB -0.741 30.959 31.700 -0.001 0.000 0.789 37 P HA -0.155 nan 4.420 nan 0.000 0.216 37 P C 1.416 178.717 177.300 0.002 0.000 1.150 37 P CA 1.982 65.083 63.100 0.002 0.000 0.837 37 P CB -0.593 31.109 31.700 0.004 0.000 0.786 38 A N -0.253 122.567 122.820 0.001 0.000 1.897 38 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 38 A C 2.247 179.829 177.584 -0.004 0.000 1.181 38 A CA 1.285 53.321 52.037 -0.000 0.000 0.620 38 A CB -0.996 18.003 19.000 -0.002 0.000 0.821 38 A HN 0.033 nan 8.150 nan 0.000 0.443 39 R N -0.199 120.297 120.500 -0.006 0.000 2.096 39 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 39 R C 1.557 177.852 176.300 -0.009 0.000 1.127 39 R CA 1.484 57.578 56.100 -0.010 0.000 0.968 39 R CB -0.334 29.960 30.300 -0.010 0.000 0.861 39 R HN 0.491 nan 8.270 nan 0.000 0.440 40 D N 0.168 120.565 120.400 -0.005 0.000 2.097 40 D HA -0.121 4.518 4.640 -0.000 0.000 0.197 40 D C 1.974 178.272 176.300 -0.003 0.000 0.984 40 D CA 1.140 55.137 54.000 -0.004 0.000 0.826 40 D CB -0.129 40.671 40.800 -0.002 0.000 0.973 40 D HN 0.178 nan 8.370 nan 0.000 0.460 41 R N 0.074 120.574 120.500 0.000 0.000 2.105 41 R HA -0.086 4.254 4.340 -0.000 0.000 0.239 41 R C 2.534 178.835 176.300 0.003 0.000 1.135 41 R CA 1.009 57.111 56.100 0.004 0.000 0.967 41 R CB -0.493 29.812 30.300 0.008 0.000 0.861 41 R HN 0.235 nan 8.270 nan 0.000 0.442 42 C N -0.164 119.135 119.300 -0.002 0.000 2.440 42 C HA -0.008 4.452 4.460 -0.000 0.000 0.278 42 C C 2.581 177.561 174.990 -0.018 0.000 1.295 42 C CA 0.388 59.402 59.018 -0.008 0.000 1.738 42 C CB -0.772 26.960 27.740 -0.013 0.000 1.987 42 C HN 0.454 nan 8.230 nan 0.000 0.492 43 R N 0.880 121.369 120.500 -0.019 0.000 2.096 43 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 43 R C 2.357 178.645 176.300 -0.020 0.000 1.127 43 R CA 1.549 57.635 56.100 -0.023 0.000 0.968 43 R CB -0.401 29.889 30.300 -0.018 0.000 0.861 43 R HN 0.556 nan 8.270 nan 0.000 0.440 44 A N -0.054 122.760 122.820 -0.011 0.000 1.930 44 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 44 A C 2.140 179.716 177.584 -0.012 0.000 1.175 44 A CA 1.772 53.804 52.037 -0.008 0.000 0.627 44 A CB -0.495 18.505 19.000 0.001 0.000 0.815 44 A HN 0.299 nan 8.150 nan 0.000 0.443 45 S N -0.827 114.868 115.700 -0.008 0.000 2.383 45 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 45 S C 2.008 176.568 174.600 -0.068 0.000 1.026 45 S CA 1.499 59.693 58.200 -0.009 0.000 0.981 45 S CB -0.325 62.892 63.200 0.028 0.000 0.818 45 S HN 0.668 nan 8.310 nan 0.000 0.472 46 E N 0.355 120.520 120.200 -0.059 0.000 2.085 46 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 46 E C 2.059 178.612 176.600 -0.077 0.000 0.994 46 E CA 1.100 57.454 56.400 -0.077 0.000 0.801 46 E CB -0.338 29.324 29.700 -0.063 0.000 0.743 46 E HN 0.610 nan 8.360 nan 0.000 0.453 47 A N 1.133 123.920 122.820 -0.054 0.000 1.930 47 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 47 A C 2.131 179.674 177.584 -0.068 0.000 1.175 47 A CA 1.188 53.199 52.037 -0.044 0.000 0.627 47 A CB -0.360 18.625 19.000 -0.025 0.000 0.815 47 A HN 0.159 nan 8.150 nan 0.000 0.443 48 R N -1.191 119.257 120.500 -0.086 0.000 2.092 48 R HA -0.084 4.255 4.340 -0.000 0.000 0.231 48 R C 2.101 178.265 176.300 -0.228 0.000 1.119 48 R CA 1.355 57.393 56.100 -0.104 0.000 0.970 48 R CB -0.555 29.713 30.300 -0.054 0.000 0.864 48 R HN 0.503 nan 8.270 nan 0.000 0.440 49 L N 0.572 121.572 121.223 -0.371 0.000 2.046 49 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 49 L C 2.118 178.842 176.870 -0.243 0.000 1.077 49 L CA 2.105 56.626 54.840 -0.531 0.000 0.747 49 L CB -1.011 40.743 42.059 -0.509 0.000 0.896 49 L HN 0.155 nan 8.230 nan 0.000 0.432 50 G N -0.977 107.739 108.800 -0.140 0.000 2.440 50 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 50 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 50 G C 1.586 176.452 174.900 -0.056 0.000 1.154 50 G CA 0.888 45.947 45.100 -0.068 0.000 0.767 50 G HN 0.655 nan 8.290 nan 0.000 0.552 51 A N -0.003 122.783 122.820 -0.058 0.000 1.898 51 A HA 0.134 4.454 4.320 -0.000 0.000 0.216 51 A C 2.591 180.165 177.584 -0.018 0.000 1.181 51 A CA 1.656 53.676 52.037 -0.029 0.000 0.620 51 A CB -0.580 18.408 19.000 -0.020 0.000 0.819 51 A HN 0.246 nan 8.150 nan 0.000 0.442 52 V N 0.229 120.120 119.914 -0.037 0.000 2.332 52 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 52 V C 2.402 178.510 176.094 0.023 0.000 1.055 52 V CA 2.109 64.416 62.300 0.012 0.000 1.038 52 V CB -0.606 31.223 31.823 0.011 0.000 0.651 52 V HN 0.577 nan 8.190 nan 0.000 0.450 53 I N -0.615 119.949 120.570 -0.010 0.000 2.286 53 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 53 I C 2.716 178.837 176.117 0.006 0.000 1.104 53 I CA 1.490 62.793 61.300 0.005 0.000 1.397 53 I CB -0.408 37.585 38.000 -0.012 0.000 1.072 53 I HN 0.187 nan 8.210 nan 0.000 0.417 54 R N 1.303 121.801 120.500 -0.003 0.000 2.096 54 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 54 R C 1.688 177.992 176.300 0.007 0.000 1.127 54 R CA 1.594 57.693 56.100 -0.002 0.000 0.968 54 R CB -0.028 30.269 30.300 -0.006 0.000 0.861 54 R HN 0.431 nan 8.270 nan 0.000 0.440 55 E N -0.491 119.718 120.200 0.016 0.000 2.489 55 E HA 0.097 4.447 4.350 -0.000 0.000 0.193 55 E C 0.294 176.914 176.600 0.033 0.000 1.057 55 E CA 0.388 56.802 56.400 0.024 0.000 0.866 55 E CB 0.480 30.199 29.700 0.031 0.000 0.916 55 E HN 0.431 nan 8.360 nan 0.000 0.500 56 A N 2.157 124.997 122.820 0.034 0.000 2.791 56 A HA -0.225 4.095 4.320 -0.000 0.000 0.292 56 A C 0.044 177.668 177.584 0.066 0.000 1.487 56 A CA 0.538 52.599 52.037 0.039 0.000 0.760 56 A CB -1.335 17.677 19.000 0.021 0.000 1.031 56 A HN 0.138 nan 8.150 nan 0.000 0.503 57 R N 0.148 120.704 120.500 0.094 0.000 2.643 57 R HA 0.132 4.472 4.340 -0.000 0.000 0.270 57 R C 0.530 176.949 176.300 0.198 0.000 1.061 57 R CA -0.145 56.037 56.100 0.137 0.000 1.107 57 R CB 0.139 30.530 30.300 0.151 0.000 0.999 57 R HN 0.721 nan 8.270 nan 0.000 0.460 58 H N 1.814 120.931 119.070 0.078 0.000 3.160 58 H HA 0.218 4.774 4.556 -0.000 0.000 0.257 58 H C -0.911 174.498 175.328 0.135 0.000 1.140 58 H CA -0.370 55.718 56.048 0.066 0.000 1.492 58 H CB 0.226 30.002 29.762 0.024 0.000 1.529 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.375 126.492 119.914 0.339 0.000 2.686 59 V HA 0.003 4.123 4.120 -0.000 0.000 0.306 59 V C -0.769 175.559 176.094 0.391 0.000 1.065 59 V CA -1.008 61.527 62.300 0.391 0.000 0.894 59 V CB 1.405 33.450 31.823 0.370 0.000 1.004 59 V HN 0.665 nan 8.190 nan 0.000 0.424 60 Y N 3.675 124.235 120.300 0.434 0.000 2.805 60 Y HA 0.360 4.910 4.550 -0.000 0.000 0.331 60 Y C 1.365 177.385 175.900 0.202 0.000 1.241 60 Y CA 1.873 60.126 58.100 0.254 0.000 1.546 60 Y CB 0.530 39.190 38.460 0.334 0.000 1.248 60 Y HN 1.066 nan 8.280 nan 0.000 0.559 61 G N 4.149 112.670 108.800 -0.465 0.000 2.205 61 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 61 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 61 G C 0.607 175.479 174.900 -0.045 0.000 0.980 61 G CA 0.590 45.535 45.100 -0.259 0.000 0.632 61 G HN 0.670 nan 8.290 nan 0.000 0.533 62 L N -0.182 121.051 121.223 0.017 0.000 2.577 62 L HA 0.279 4.619 4.340 -0.000 0.000 0.225 62 L C 2.190 179.069 176.870 0.014 0.000 1.053 62 L CA 1.561 56.436 54.840 0.057 0.000 0.866 62 L CB 0.450 42.591 42.059 0.137 0.000 1.132 62 L HN 0.450 nan 8.230 nan 0.000 0.486 63 T N -4.006 110.556 114.554 0.014 0.000 3.332 63 T HA 0.189 4.539 4.350 -0.000 0.000 0.304 63 T C 0.260 174.927 174.700 -0.054 0.000 0.971 63 T CA 0.107 62.203 62.100 -0.005 0.000 0.954 63 T CB 0.082 68.981 68.868 0.051 0.000 1.175 63 T HN 0.193 nan 8.240 nan 0.000 0.519 64 T N -1.942 112.525 114.554 -0.144 0.000 2.841 64 T HA 0.769 5.119 4.350 -0.000 0.000 0.296 64 T C 0.507 174.923 174.700 -0.474 0.000 1.166 64 T CA -0.273 61.706 62.100 -0.202 0.000 1.007 64 T CB 1.396 70.230 68.868 -0.057 0.000 1.253 64 T HN 0.294 nan 8.240 nan 0.000 0.511 65 G N -0.173 108.393 108.800 -0.390 0.000 2.553 65 G HA2 0.564 4.524 3.960 -0.000 0.000 0.278 65 G HA3 0.564 4.524 3.960 -0.000 0.000 0.278 65 G C -1.040 173.448 174.900 -0.686 0.000 1.349 65 G CA -0.788 43.999 45.100 -0.521 0.000 1.037 65 G HN 0.545 nan 8.290 nan 0.000 0.508 66 F N -0.808 119.116 119.950 -0.044 0.000 2.483 66 F HA 0.605 5.132 4.527 0.000 0.000 0.329 66 F C 1.218 177.134 175.800 0.195 0.000 1.064 66 F CA 0.357 58.404 58.000 0.078 0.000 0.986 66 F CB 1.264 40.382 39.000 0.196 0.000 1.218 66 F HN 1.014 nan 8.300 nan 0.000 0.484 67 G N 1.835 110.970 108.800 0.558 0.000 2.614 67 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.303 67 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.303 67 G C -1.697 173.328 174.900 0.209 0.000 1.270 67 G CA 0.041 45.320 45.100 0.298 0.000 0.988 67 G HN 0.560 nan 8.290 nan 0.000 0.551 68 P HA 0.082 nan 4.420 nan 0.000 0.234 68 P C 1.617 178.954 177.300 0.062 0.000 1.167 68 P CA 0.927 64.075 63.100 0.080 0.000 0.763 68 P CB -0.083 31.647 31.700 0.051 0.000 0.835 69 L N -1.019 120.241 121.223 0.063 0.000 2.592 69 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 69 L C 2.274 179.146 176.870 0.003 0.000 1.127 69 L CA 0.136 54.985 54.840 0.015 0.000 0.884 69 L CB -0.562 41.486 42.059 -0.018 0.000 1.065 69 L HN -0.093 nan 8.230 nan 0.000 0.457 70 A N 1.298 124.159 122.820 0.067 0.000 2.178 70 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 70 A C 1.948 179.565 177.584 0.055 0.000 1.157 70 A CA 1.404 53.485 52.037 0.073 0.000 0.689 70 A CB -0.519 18.633 19.000 0.254 0.000 0.787 70 A HN 0.649 nan 8.150 nan 0.000 0.465 71 N N -0.569 118.154 118.700 0.037 0.000 2.515 71 N HA -0.039 4.701 4.740 -0.000 0.000 0.185 71 N C 0.054 175.553 175.510 -0.018 0.000 1.109 71 N CA 0.253 53.316 53.050 0.022 0.000 0.903 71 N CB -0.212 38.287 38.487 0.020 0.000 0.969 71 N HN 0.170 nan 8.380 nan 0.000 0.450 72 R N 1.142 121.620 120.500 -0.037 0.000 2.205 72 R HA 0.368 4.708 4.340 -0.000 0.000 0.342 72 R C -0.176 176.073 176.300 -0.085 0.000 1.058 72 R CA -0.254 55.811 56.100 -0.059 0.000 0.904 72 R CB 0.541 30.803 30.300 -0.064 0.000 1.089 72 R HN 0.166 nan 8.270 nan 0.000 0.471 73 L N 4.173 125.341 121.223 -0.092 0.000 2.397 73 L HA 0.345 4.685 4.340 -0.000 0.000 0.271 73 L C 0.158 176.970 176.870 -0.097 0.000 1.148 73 L CA -0.319 54.452 54.840 -0.114 0.000 0.825 73 L CB 0.567 42.536 42.059 -0.149 0.000 1.117 73 L HN 0.359 nan 8.230 nan 0.000 0.456 74 I N 1.531 122.043 120.570 -0.098 0.000 2.474 74 I HA 0.217 4.387 4.170 -0.000 0.000 0.294 74 I C 0.355 176.436 176.117 -0.059 0.000 1.005 74 I CA -0.249 61.003 61.300 -0.081 0.000 1.113 74 I CB 1.707 39.646 38.000 -0.102 0.000 1.289 74 I HN 0.525 nan 8.210 nan 0.000 0.436 75 S N 3.131 118.803 115.700 -0.046 0.000 2.580 75 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 75 S C 1.496 176.080 174.600 -0.026 0.000 1.329 75 S CA 0.187 58.367 58.200 -0.033 0.000 1.036 75 S CB 1.235 64.418 63.200 -0.028 0.000 0.919 75 S HN 0.886 nan 8.310 nan 0.000 0.515 76 G N 3.156 111.945 108.800 -0.019 0.000 2.547 76 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 76 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 76 G C 1.287 176.179 174.900 -0.014 0.000 1.140 76 G CA 1.246 46.338 45.100 -0.014 0.000 0.760 76 G HN 0.917 nan 8.290 nan 0.000 0.583 77 E N 0.802 120.993 120.200 -0.014 0.000 2.333 77 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 77 E C 1.132 177.726 176.600 -0.010 0.000 1.007 77 E CA 0.853 57.245 56.400 -0.013 0.000 0.845 77 E CB -0.363 29.330 29.700 -0.012 0.000 0.766 77 E HN 0.414 nan 8.360 nan 0.000 0.507 78 N N 0.661 119.354 118.700 -0.012 0.000 2.236 78 N HA 0.055 4.795 4.740 -0.000 0.000 0.196 78 N C 1.543 177.050 175.510 -0.005 0.000 1.114 78 N CA 0.159 53.204 53.050 -0.008 0.000 0.859 78 N CB 0.864 39.343 38.487 -0.013 0.000 0.982 78 N HN 0.027 nan 8.380 nan 0.000 0.493 79 V N 1.229 121.139 119.914 -0.006 0.000 2.407 79 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 79 V C 2.415 178.520 176.094 0.018 0.000 1.055 79 V CA 1.349 63.651 62.300 0.002 0.000 1.049 79 V CB -0.215 31.610 31.823 0.004 0.000 0.662 79 V HN 0.225 nan 8.190 nan 0.000 0.455 80 R N 0.231 120.736 120.500 0.009 0.000 2.083 80 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 80 R C 2.374 178.681 176.300 0.011 0.000 1.137 80 R CA 2.008 58.112 56.100 0.008 0.000 0.951 80 R CB -1.390 28.908 30.300 -0.002 0.000 0.851 80 R HN 0.517 nan 8.270 nan 0.000 0.434 81 T N 2.363 116.927 114.554 0.016 0.000 2.746 81 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 81 T C 1.899 176.630 174.700 0.050 0.000 1.039 81 T CA 1.135 63.251 62.100 0.026 0.000 1.142 81 T CB -0.309 68.576 68.868 0.028 0.000 0.866 81 T HN 0.100 nan 8.240 nan 0.000 0.444 82 L N 1.334 122.594 121.223 0.061 0.000 1.989 82 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 82 L C 2.405 179.409 176.870 0.223 0.000 1.071 82 L CA 1.847 56.760 54.840 0.123 0.000 0.749 82 L CB -0.643 41.441 42.059 0.041 0.000 0.890 82 L HN 0.248 nan 8.230 nan 0.000 0.431 83 Q N -0.850 119.038 119.800 0.148 0.000 2.297 83 Q HA -0.062 4.278 4.340 -0.000 0.000 0.204 83 Q C 2.181 178.162 176.000 -0.032 0.000 0.962 83 Q CA 1.061 56.932 55.803 0.112 0.000 0.879 83 Q CB -0.243 28.543 28.738 0.079 0.000 0.947 83 Q HN 0.715 nan 8.270 nan 0.000 0.462 84 A N 1.598 124.380 122.820 -0.062 0.000 1.929 84 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 84 A C 1.740 179.111 177.584 -0.355 0.000 1.176 84 A CA 1.187 53.091 52.037 -0.223 0.000 0.628 84 A CB -0.237 18.666 19.000 -0.162 0.000 0.816 84 A HN 0.249 nan 8.150 nan 0.000 0.444 85 N N -0.127 118.529 118.700 -0.073 0.000 2.270 85 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 85 N C 1.562 177.154 175.510 0.136 0.000 1.016 85 N CA 1.200 54.311 53.050 0.103 0.000 0.870 85 N CB -0.521 38.109 38.487 0.238 0.000 0.979 85 N HN 0.437 nan 8.380 nan 0.000 0.431 86 L N 1.055 122.280 121.223 0.003 0.000 1.970 86 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 86 L C 1.968 178.420 176.870 -0.696 0.000 1.071 86 L CA 1.514 56.080 54.840 -0.456 0.000 0.751 86 L CB -0.794 40.912 42.059 -0.588 0.000 0.889 86 L HN -0.099 nan 8.230 nan 0.000 0.432 87 V N -0.279 119.373 119.914 -0.436 0.000 2.332 87 V HA -0.363 3.756 4.120 -0.000 0.000 0.248 87 V C 2.393 178.318 176.094 -0.282 0.000 1.055 87 V CA 2.282 64.355 62.300 -0.378 0.000 1.038 87 V CB -1.046 30.603 31.823 -0.291 0.000 0.651 87 V HN 0.636 nan 8.190 nan 0.000 0.450 88 H N -0.356 118.591 119.070 -0.206 0.000 2.270 88 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 88 H C 2.229 177.504 175.328 -0.089 0.000 1.077 88 H CA 1.925 57.904 56.048 -0.114 0.000 1.294 88 H CB -0.282 29.477 29.762 -0.005 0.000 1.371 88 H HN 0.609 nan 8.280 nan 0.000 0.491 89 F N 0.630 120.614 119.950 0.056 0.000 2.365 89 F HA -0.025 4.502 4.527 -0.000 0.000 0.300 89 F C 1.630 177.404 175.800 -0.043 0.000 1.090 89 F CA 0.786 58.788 58.000 0.004 0.000 1.408 89 F CB -0.689 38.320 39.000 0.014 0.000 1.060 89 F HN 0.006 nan 8.300 nan 0.000 0.534 90 L N 0.605 121.475 121.223 -0.588 0.000 2.418 90 L HA 0.230 4.570 4.340 -0.000 0.000 0.218 90 L C 1.861 178.570 176.870 -0.268 0.000 1.125 90 L CA 0.397 54.964 54.840 -0.455 0.000 0.835 90 L CB -0.613 41.056 42.059 -0.651 0.000 0.953 90 L HN 0.269 nan 8.230 nan 0.000 0.454 91 A N 0.076 122.710 122.820 -0.311 0.000 3.074 91 A HA 0.158 4.478 4.320 -0.000 0.000 0.251 91 A C 1.184 178.716 177.584 -0.088 0.000 1.695 91 A CA 0.224 51.950 52.037 -0.518 0.000 1.343 91 A CB -0.650 17.993 19.000 -0.595 0.000 1.078 91 A HN 0.351 nan 8.150 nan 0.000 0.644 92 S N -0.543 115.207 115.700 0.082 0.000 2.601 92 S HA 0.379 4.849 4.470 -0.000 0.000 0.244 92 S C 0.868 175.573 174.600 0.175 0.000 1.001 92 S CA 0.063 58.342 58.200 0.132 0.000 0.984 92 S CB 0.072 63.324 63.200 0.086 0.000 0.842 92 S HN 0.757 nan 8.310 nan 0.000 0.474 93 G N 1.535 110.550 108.800 0.358 0.000 2.544 93 G HA2 0.495 4.455 3.960 -0.000 0.000 0.242 93 G HA3 0.495 4.455 3.960 -0.000 0.000 0.242 93 G C -0.102 174.776 174.900 -0.036 0.000 1.247 93 G CA 0.124 45.279 45.100 0.091 0.000 0.840 93 G HN 1.025 nan 8.290 nan 0.000 0.578 94 V N -0.895 118.988 119.914 -0.051 0.000 3.165 94 V HA 1.034 5.154 4.120 -0.000 0.000 0.309 94 V C 0.564 176.624 176.094 -0.057 0.000 1.267 94 V CA -0.110 62.160 62.300 -0.051 0.000 1.067 94 V CB 1.107 32.921 31.823 -0.015 0.000 1.082 94 V HN 2.565 nan 8.190 nan 0.000 0.451 95 G N 0.416 109.190 108.800 -0.043 0.000 2.707 95 G HA2 0.067 4.027 3.960 -0.000 0.000 0.686 95 G HA3 0.067 4.027 3.960 -0.000 0.000 0.686 95 G C -2.744 172.132 174.900 -0.041 0.000 1.315 95 G CA -0.302 44.778 45.100 -0.034 0.000 0.832 95 G HN 1.117 nan 8.290 nan 0.000 0.573 96 P HA 0.394 nan 4.420 nan 0.000 0.267 96 P C 0.895 178.176 177.300 -0.031 0.000 1.200 96 P CA 0.455 63.542 63.100 -0.021 0.000 0.772 96 P CB 0.766 32.463 31.700 -0.005 0.000 0.855 97 V N 1.399 121.295 119.914 -0.030 0.000 3.096 97 V HA 0.141 4.261 4.120 -0.000 0.000 0.306 97 V C 0.684 176.771 176.094 -0.012 0.000 1.088 97 V CA -0.623 61.654 62.300 -0.037 0.000 1.129 97 V CB -0.534 31.271 31.823 -0.030 0.000 1.014 97 V HN 0.300 nan 8.190 nan 0.000 0.486 98 L N 2.662 123.875 121.223 -0.018 0.000 2.461 98 L HA 0.255 4.595 4.340 -0.000 0.000 0.272 98 L C 0.642 177.531 176.870 0.032 0.000 1.197 98 L CA -0.213 54.629 54.840 0.002 0.000 0.836 98 L CB 0.222 42.272 42.059 -0.015 0.000 1.105 98 L HN 1.030 nan 8.230 nan 0.000 0.477 99 D N -0.131 120.304 120.400 0.058 0.000 2.361 99 D HA -0.114 4.526 4.640 -0.000 0.000 0.239 99 D C 0.695 177.084 176.300 0.147 0.000 1.200 99 D CA -0.431 53.636 54.000 0.111 0.000 0.915 99 D CB 0.489 41.361 40.800 0.120 0.000 1.170 99 D HN 0.545 nan 8.370 nan 0.000 0.444 100 W N 1.117 122.419 121.300 0.004 0.000 2.290 100 W HA -0.297 4.363 4.660 -0.000 0.000 0.323 100 W C 2.148 178.660 176.519 -0.013 0.000 1.260 100 W CA 2.749 60.096 57.345 0.003 0.000 1.266 100 W CB -0.752 28.712 29.460 0.007 0.000 1.149 100 W HN 0.439 nan 8.180 nan 0.000 0.482 101 T N -0.467 114.210 114.554 0.206 0.000 2.777 101 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 101 T C 1.564 176.185 174.700 -0.132 0.000 1.040 101 T CA 2.174 64.247 62.100 -0.045 0.000 1.141 101 T CB -0.817 68.111 68.868 0.101 0.000 0.868 101 T HN 0.168 nan 8.240 nan 0.000 0.444 102 T N 1.941 116.475 114.554 -0.033 0.000 2.821 102 T HA 0.048 4.398 4.350 -0.000 0.000 0.267 102 T C 2.426 177.077 174.700 -0.081 0.000 1.046 102 T CA 1.022 63.102 62.100 -0.034 0.000 1.139 102 T CB -0.480 68.397 68.868 0.015 0.000 0.871 102 T HN 0.418 nan 8.240 nan 0.000 0.454 103 A N 1.880 124.638 122.820 -0.102 0.000 1.902 103 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 103 A C 2.374 179.850 177.584 -0.180 0.000 1.181 103 A CA 1.407 53.371 52.037 -0.123 0.000 0.623 103 A CB -0.466 18.465 19.000 -0.115 0.000 0.818 103 A HN 0.401 nan 8.150 nan 0.000 0.443 104 R N -0.577 119.746 120.500 -0.295 0.000 2.115 104 R HA 0.004 4.344 4.340 -0.000 0.000 0.230 104 R C 2.405 178.570 176.300 -0.225 0.000 1.111 104 R CA 1.026 56.929 56.100 -0.329 0.000 0.976 104 R CB -0.410 29.547 30.300 -0.573 0.000 0.870 104 R HN 0.509 nan 8.270 nan 0.000 0.445 105 A N 1.143 123.848 122.820 -0.191 0.000 1.933 105 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 105 A C 2.112 179.640 177.584 -0.093 0.000 1.175 105 A CA 1.324 53.284 52.037 -0.129 0.000 0.628 105 A CB -0.438 18.509 19.000 -0.088 0.000 0.814 105 A HN 0.332 nan 8.150 nan 0.000 0.444 106 M N -0.278 119.270 119.600 -0.087 0.000 2.132 106 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 106 M C 1.869 178.127 176.300 -0.069 0.000 1.065 106 M CA 1.914 57.175 55.300 -0.065 0.000 1.122 106 M CB -0.226 32.339 32.600 -0.058 0.000 1.365 106 M HN 0.190 nan 8.290 nan 0.000 0.411 107 V N 1.135 120.996 119.914 -0.087 0.000 2.287 107 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 107 V C 2.431 178.482 176.094 -0.072 0.000 1.053 107 V CA 1.832 64.086 62.300 -0.078 0.000 1.027 107 V CB -1.017 30.751 31.823 -0.091 0.000 0.646 107 V HN 0.596 nan 8.190 nan 0.000 0.447 108 L N 0.951 122.121 121.223 -0.087 0.000 2.046 108 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 108 L C 2.455 179.287 176.870 -0.064 0.000 1.077 108 L CA 2.373 57.166 54.840 -0.078 0.000 0.747 108 L CB -1.003 41.000 42.059 -0.093 0.000 0.896 108 L HN 0.219 nan 8.230 nan 0.000 0.432 109 A N -0.368 122.415 122.820 -0.061 0.000 1.908 109 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 109 A C 2.473 180.032 177.584 -0.042 0.000 1.181 109 A CA 1.972 53.978 52.037 -0.051 0.000 0.627 109 A CB -0.647 18.327 19.000 -0.044 0.000 0.818 109 A HN 0.494 nan 8.150 nan 0.000 0.445 110 R N -0.701 119.776 120.500 -0.039 0.000 2.075 110 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 110 R C 1.942 178.226 176.300 -0.027 0.000 1.126 110 R CA 1.549 57.633 56.100 -0.028 0.000 0.963 110 R CB -0.670 29.612 30.300 -0.029 0.000 0.858 110 R HN 0.445 nan 8.270 nan 0.000 0.435 111 L N -0.165 121.037 121.223 -0.035 0.000 2.046 111 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 111 L C 1.923 178.774 176.870 -0.031 0.000 1.077 111 L CA 1.619 56.440 54.840 -0.032 0.000 0.747 111 L CB -0.476 41.560 42.059 -0.039 0.000 0.896 111 L HN 0.068 nan 8.230 nan 0.000 0.432 112 V N -1.057 118.833 119.914 -0.040 0.000 2.407 112 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 112 V C 2.760 178.836 176.094 -0.031 0.000 1.055 112 V CA 1.752 64.026 62.300 -0.042 0.000 1.049 112 V CB -0.769 31.017 31.823 -0.062 0.000 0.662 112 V HN 0.647 nan 8.190 nan 0.000 0.455 113 S N -0.168 115.516 115.700 -0.027 0.000 2.348 113 S HA -0.157 4.313 4.470 -0.000 0.000 0.221 113 S C 1.938 176.535 174.600 -0.005 0.000 1.033 113 S CA 1.762 59.951 58.200 -0.017 0.000 1.010 113 S CB -0.351 62.841 63.200 -0.013 0.000 0.891 113 S HN 0.519 nan 8.310 nan 0.000 0.442 114 I N 1.829 122.397 120.570 -0.003 0.000 2.264 114 I HA -0.175 3.995 4.170 -0.000 0.000 0.248 114 I C 2.712 178.831 176.117 0.004 0.000 1.111 114 I CA 1.071 62.375 61.300 0.007 0.000 1.382 114 I CB -0.506 37.495 38.000 0.001 0.000 1.060 114 I HN 0.389 nan 8.210 nan 0.000 0.418 115 A N 0.119 122.936 122.820 -0.006 0.000 2.131 115 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 115 A C 2.106 179.691 177.584 0.002 0.000 1.158 115 A CA 1.248 53.281 52.037 -0.005 0.000 0.665 115 A CB -0.342 18.651 19.000 -0.012 0.000 0.795 115 A HN 0.418 nan 8.150 nan 0.000 0.460 116 Q N -1.216 118.586 119.800 0.004 0.000 2.436 116 Q HA 0.083 4.423 4.340 -0.000 0.000 0.209 116 Q C 1.243 177.252 176.000 0.016 0.000 0.965 116 Q CA 0.812 56.620 55.803 0.008 0.000 0.910 116 Q CB -0.565 28.175 28.738 0.004 0.000 0.980 116 Q HN 1.076 nan 8.270 nan 0.000 0.491 117 G N 0.428 109.241 108.800 0.021 0.000 2.212 117 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.255 117 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.255 117 G C 0.447 175.382 174.900 0.057 0.000 1.062 117 G CA 0.401 45.520 45.100 0.031 0.000 0.815 117 G HN 0.533 nan 8.290 nan 0.000 0.497 118 A N -1.038 121.827 122.820 0.075 0.000 2.635 118 A HA 0.723 5.043 4.320 -0.000 0.000 0.279 118 A C 1.611 179.318 177.584 0.205 0.000 1.122 118 A CA 1.363 53.472 52.037 0.120 0.000 0.965 118 A CB 0.274 19.304 19.000 0.050 0.000 1.221 118 A HN 0.777 nan 8.150 nan 0.000 0.566 119 S N -1.057 114.757 115.700 0.189 0.000 2.502 119 S HA 0.363 4.832 4.470 -0.000 0.000 0.215 119 S C 1.532 176.305 174.600 0.288 0.000 1.009 119 S CA 0.698 59.040 58.200 0.237 0.000 0.908 119 S CB 0.408 63.677 63.200 0.115 0.000 0.801 119 S HN 1.677 nan 8.310 nan 0.000 0.505 120 G N 1.917 110.807 108.800 0.151 0.000 2.155 120 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.257 120 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.257 120 G C 0.222 175.107 174.900 -0.025 0.000 0.983 120 G CA 0.048 45.132 45.100 -0.028 0.000 0.676 120 G HN 0.890 nan 8.290 nan 0.000 0.528 121 A N 0.412 123.236 122.820 0.007 0.000 2.511 121 A HA 0.614 4.934 4.320 -0.000 0.000 0.242 121 A C 1.165 178.703 177.584 -0.077 0.000 1.069 121 A CA 1.011 53.034 52.037 -0.023 0.000 0.763 121 A CB 0.204 19.197 19.000 -0.011 0.000 1.001 121 A HN 2.036 nan 8.150 nan 0.000 0.498 122 S N 1.766 117.382 115.700 -0.140 0.000 2.600 122 S HA 0.161 4.631 4.470 -0.000 0.000 0.265 122 S C 0.688 175.178 174.600 -0.182 0.000 1.325 122 S CA 0.171 58.218 58.200 -0.255 0.000 1.002 122 S CB 0.590 63.424 63.200 -0.610 0.000 0.921 122 S HN 0.709 nan 8.310 nan 0.000 0.554 123 E N 1.461 121.557 120.200 -0.173 0.000 2.110 123 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 123 E C 2.117 178.661 176.600 -0.093 0.000 0.988 123 E CA 1.083 57.421 56.400 -0.104 0.000 0.804 123 E CB -0.703 28.950 29.700 -0.077 0.000 0.745 123 E HN 0.888 nan 8.360 nan 0.000 0.458 124 G N 0.719 109.444 108.800 -0.126 0.000 2.402 124 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 124 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 124 G C 1.646 176.510 174.900 -0.059 0.000 1.162 124 G CA 1.165 46.219 45.100 -0.076 0.000 0.777 124 G HN 0.168 nan 8.290 nan 0.000 0.539 125 T N 1.313 115.818 114.554 -0.081 0.000 2.746 125 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 125 T C 2.384 177.062 174.700 -0.038 0.000 1.039 125 T CA 0.895 62.965 62.100 -0.049 0.000 1.142 125 T CB -0.148 68.688 68.868 -0.054 0.000 0.866 125 T HN 0.238 nan 8.240 nan 0.000 0.444 126 I N 1.276 121.818 120.570 -0.046 0.000 2.226 126 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 126 I C 2.884 178.984 176.117 -0.028 0.000 1.100 126 I CA 1.018 62.297 61.300 -0.035 0.000 1.374 126 I CB -0.449 37.529 38.000 -0.037 0.000 1.057 126 I HN 0.186 nan 8.210 nan 0.000 0.413 127 A N 0.782 123.584 122.820 -0.029 0.000 1.972 127 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 127 A C 2.332 179.908 177.584 -0.013 0.000 1.169 127 A CA 1.288 53.313 52.037 -0.021 0.000 0.635 127 A CB -0.391 18.597 19.000 -0.021 0.000 0.810 127 A HN 0.255 nan 8.150 nan 0.000 0.446 128 R N -0.219 120.275 120.500 -0.009 0.000 2.092 128 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 128 R C 2.027 178.331 176.300 0.005 0.000 1.119 128 R CA 1.197 57.300 56.100 0.005 0.000 0.970 128 R CB -0.993 29.314 30.300 0.012 0.000 0.864 128 R HN 0.600 nan 8.270 nan 0.000 0.440 129 L N 0.154 121.372 121.223 -0.007 0.000 2.056 129 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 129 L C 2.487 179.344 176.870 -0.021 0.000 1.078 129 L CA 1.078 55.908 54.840 -0.015 0.000 0.749 129 L CB -0.461 41.583 42.059 -0.024 0.000 0.901 129 L HN 0.055 nan 8.230 nan 0.000 0.433 130 I N -0.039 120.518 120.570 -0.021 0.000 2.226 130 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 130 I C 2.120 178.227 176.117 -0.018 0.000 1.100 130 I CA 1.177 62.463 61.300 -0.023 0.000 1.374 130 I CB -0.395 37.593 38.000 -0.020 0.000 1.057 130 I HN 0.261 nan 8.210 nan 0.000 0.413 131 D N 0.771 121.164 120.400 -0.011 0.000 2.117 131 D HA -0.175 4.465 4.640 -0.000 0.000 0.197 131 D C 2.136 178.432 176.300 -0.006 0.000 0.987 131 D CA 0.954 54.949 54.000 -0.008 0.000 0.829 131 D CB -0.343 40.453 40.800 -0.006 0.000 0.961 131 D HN 0.156 nan 8.370 nan 0.000 0.460 132 L N 0.850 122.074 121.223 0.003 0.000 1.989 132 L HA -0.147 4.192 4.340 -0.000 0.000 0.211 132 L C 2.157 179.014 176.870 -0.021 0.000 1.071 132 L CA 1.439 56.287 54.840 0.014 0.000 0.749 132 L CB -0.947 41.136 42.059 0.040 0.000 0.890 132 L HN 0.095 nan 8.230 nan 0.000 0.431 133 L N 0.189 121.385 121.223 -0.045 0.000 2.131 133 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 133 L C 1.958 178.803 176.870 -0.041 0.000 1.092 133 L CA 0.975 55.770 54.840 -0.074 0.000 0.759 133 L CB -0.573 41.441 42.059 -0.076 0.000 0.903 133 L HN 0.387 nan 8.230 nan 0.000 0.435 134 N N -0.507 118.183 118.700 -0.017 0.000 2.412 134 N HA -0.013 4.727 4.740 -0.000 0.000 0.184 134 N C 0.861 176.383 175.510 0.020 0.000 1.101 134 N CA 0.383 53.434 53.050 0.001 0.000 0.881 134 N CB 0.163 38.649 38.487 -0.002 0.000 0.969 134 N HN 0.342 nan 8.380 nan 0.000 0.459 135 S N -0.045 115.669 115.700 0.023 0.000 2.713 135 S HA 0.298 4.768 4.470 -0.000 0.000 0.277 135 S C 0.757 175.429 174.600 0.120 0.000 1.168 135 S CA -0.489 57.736 58.200 0.043 0.000 0.994 135 S CB 1.451 64.658 63.200 0.011 0.000 1.054 135 S HN -0.088 nan 8.310 nan 0.000 0.555 136 E N 0.099 120.391 120.200 0.153 0.000 2.444 136 E HA 0.347 4.697 4.350 -0.000 0.000 0.191 136 E C -0.099 176.788 176.600 0.479 0.000 1.041 136 E CA 0.008 56.585 56.400 0.294 0.000 0.883 136 E CB -0.271 29.510 29.700 0.136 0.000 1.024 136 E HN 0.506 nan 8.360 nan 0.000 0.470 137 L N -0.240 121.184 121.223 0.336 0.000 2.304 137 L HA 0.765 5.105 4.340 -0.000 0.000 0.268 137 L C -0.019 176.972 176.870 0.202 0.000 1.010 137 L CA -1.135 53.934 54.840 0.381 0.000 0.813 137 L CB 1.515 43.673 42.059 0.165 0.000 1.315 137 L HN -0.174 nan 8.230 nan 0.000 0.445 138 A N 0.815 123.773 122.820 0.230 0.000 2.515 138 A HA 0.803 5.123 4.320 -0.000 0.000 0.298 138 A C -2.813 174.845 177.584 0.123 0.000 1.059 138 A CA -1.395 50.627 52.037 -0.025 0.000 0.698 138 A CB 1.851 20.643 19.000 -0.346 0.000 1.289 138 A HN 0.367 nan 8.150 nan 0.000 0.404 139 P HA 0.374 nan 4.420 nan 0.000 0.275 139 P C -0.328 176.881 177.300 -0.152 0.000 1.228 139 P CA 0.091 63.043 63.100 -0.248 0.000 0.786 139 P CB 1.292 32.850 31.700 -0.237 0.000 0.927 140 A N 3.456 126.164 122.820 -0.185 0.000 2.391 140 A HA 0.493 4.813 4.320 -0.000 0.000 0.316 140 A C 0.248 177.761 177.584 -0.118 0.000 1.381 140 A CA -0.472 51.509 52.037 -0.094 0.000 0.998 140 A CB -0.506 18.459 19.000 -0.060 0.000 1.147 140 A HN 0.439 nan 8.150 nan 0.000 0.545 141 V N 1.022 120.871 119.914 -0.109 0.000 2.604 141 V HA 0.747 4.867 4.120 -0.000 0.000 0.305 141 V C -2.771 173.217 176.094 -0.177 0.000 1.043 141 V CA -2.644 59.567 62.300 -0.149 0.000 0.888 141 V CB 1.791 33.562 31.823 -0.085 0.000 0.995 141 V HN 0.642 nan 8.190 nan 0.000 0.429 142 P HA 0.115 nan 4.420 nan 0.000 0.268 142 P C 0.837 178.056 177.300 -0.134 0.000 1.205 142 P CA 0.379 63.343 63.100 -0.227 0.000 0.771 142 P CB 1.363 32.862 31.700 -0.335 0.000 0.858 143 S N 2.832 118.485 115.700 -0.077 0.000 2.461 143 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 143 S C 0.858 175.442 174.600 -0.027 0.000 1.005 143 S CA 0.184 58.360 58.200 -0.040 0.000 0.942 143 S CB -0.126 63.063 63.200 -0.019 0.000 0.776 143 S HN 0.420 nan 8.310 nan 0.000 0.514 144 R N -0.187 120.293 120.500 -0.032 0.000 2.720 144 R HA 0.625 4.965 4.340 -0.000 0.000 0.272 144 R C 0.762 177.059 176.300 -0.005 0.000 0.991 144 R CA -0.027 56.065 56.100 -0.013 0.000 1.010 144 R CB 1.500 31.795 30.300 -0.009 0.000 1.141 144 R HN 0.326 nan 8.270 nan 0.000 0.494 145 G N 0.169 108.975 108.800 0.011 0.000 2.813 145 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.194 145 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.194 145 G C 0.034 174.950 174.900 0.026 0.000 1.010 145 G CA -0.103 45.012 45.100 0.025 0.000 0.771 145 G HN 0.594 nan 8.290 nan 0.000 0.485 146 T N 0.756 115.322 114.554 0.020 0.000 2.895 146 T HA 0.529 4.879 4.350 -0.000 0.000 0.283 146 T C 1.418 176.132 174.700 0.023 0.000 1.014 146 T CA 0.406 62.516 62.100 0.017 0.000 1.037 146 T CB 1.657 70.531 68.868 0.010 0.000 1.006 146 T HN 1.102 nan 8.240 nan 0.000 0.468 147 V N 1.516 121.445 119.914 0.025 0.000 3.596 147 V HA 0.589 4.709 4.120 -0.000 0.000 0.289 147 V C 1.179 177.298 176.094 0.043 0.000 1.336 147 V CA 0.216 62.537 62.300 0.036 0.000 1.137 147 V CB -1.391 30.456 31.823 0.038 0.000 0.966 147 V HN 1.348 nan 8.190 nan 0.000 0.428 153 L N -0.338 120.843 121.223 -0.071 0.000 2.046 153 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 153 L C 2.387 179.188 176.870 -0.115 0.000 1.077 153 L CA 1.407 56.178 54.840 -0.115 0.000 0.747 153 L CB -0.602 41.362 42.059 -0.159 0.000 0.896 153 L HN 0.102 nan 8.230 nan 0.000 0.432 154 T N 0.545 115.059 114.554 -0.067 0.000 2.622 154 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 154 T C -0.437 174.308 174.700 0.075 0.000 1.047 154 T CA 1.795 63.884 62.100 -0.018 0.000 1.159 154 T CB -1.146 67.746 68.868 0.039 0.000 0.863 154 T HN 0.308 nan 8.240 nan 0.000 0.422 155 P HA 0.018 nan 4.420 nan 0.000 0.218 155 P C 1.551 178.870 177.300 0.032 0.000 1.149 155 P CA 0.967 64.108 63.100 0.069 0.000 0.817 155 P CB -0.216 31.490 31.700 0.010 0.000 0.785 156 L N -0.730 120.480 121.223 -0.021 0.000 2.156 156 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 156 L C 2.759 179.578 176.870 -0.085 0.000 1.095 156 L CA 1.192 56.002 54.840 -0.052 0.000 0.770 156 L CB -0.970 41.053 42.059 -0.061 0.000 0.914 156 L HN -0.058 nan 8.230 nan 0.000 0.439 157 A N -0.905 121.835 122.820 -0.132 0.000 1.930 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 157 A C 2.119 179.573 177.584 -0.215 0.000 1.175 157 A CA 1.205 53.109 52.037 -0.222 0.000 0.627 157 A CB -0.670 18.130 19.000 -0.333 0.000 0.815 157 A HN 0.388 nan 8.150 nan 0.000 0.443 158 H N -1.126 117.880 119.070 -0.107 0.000 2.389 158 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 158 H C 2.097 177.352 175.328 -0.122 0.000 1.081 158 H CA 1.755 57.743 56.048 -0.101 0.000 1.345 158 H CB -0.284 29.424 29.762 -0.090 0.000 1.393 158 H HN 0.594 nan 8.280 nan 0.000 0.520 159 M N 0.578 120.173 119.600 -0.008 0.000 2.080 159 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 159 M C 2.135 178.383 176.300 -0.086 0.000 1.068 159 M CA 1.397 56.655 55.300 -0.070 0.000 1.109 159 M CB -0.151 32.412 32.600 -0.061 0.000 1.342 159 M HN -0.003 nan 8.290 nan 0.000 0.405 160 V N 1.319 121.184 119.914 -0.080 0.000 2.287 160 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 160 V C 2.455 178.508 176.094 -0.068 0.000 1.053 160 V CA 1.890 64.146 62.300 -0.074 0.000 1.027 160 V CB -0.787 30.979 31.823 -0.094 0.000 0.646 160 V HN 0.550 nan 8.190 nan 0.000 0.447 161 L N -0.869 120.305 121.223 -0.080 0.000 2.042 161 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 161 L C 2.664 179.494 176.870 -0.067 0.000 1.076 161 L CA 1.721 56.527 54.840 -0.055 0.000 0.749 161 L CB -0.775 41.253 42.059 -0.051 0.000 0.893 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.126 119.087 119.300 -0.146 0.000 2.432 162 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 162 C C 2.684 177.561 174.990 -0.188 0.000 1.249 162 C CA 0.444 59.259 59.018 -0.339 0.000 1.725 162 C CB -0.885 26.495 27.740 -0.599 0.000 2.028 162 C HN 0.442 nan 8.230 nan 0.000 0.477 163 L N 0.353 121.539 121.223 -0.062 0.000 2.353 163 L HA -0.178 4.162 4.340 -0.000 0.000 0.220 163 L C 2.439 179.379 176.870 0.116 0.000 1.133 163 L CA 1.295 56.200 54.840 0.108 0.000 0.798 163 L CB -0.656 41.435 42.059 0.053 0.000 0.922 163 L HN 0.532 nan 8.230 nan 0.000 0.445 164 Q N -0.418 119.420 119.800 0.063 0.000 2.403 164 Q HA 0.111 4.451 4.340 -0.000 0.000 0.203 164 Q C 1.385 177.439 176.000 0.090 0.000 0.932 164 Q CA 0.520 56.360 55.803 0.061 0.000 0.945 164 Q CB 0.579 29.335 28.738 0.029 0.000 1.045 164 Q HN 0.556 nan 8.270 nan 0.000 0.511 165 G N 1.676 110.560 108.800 0.139 0.000 2.141 165 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.242 165 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.242 165 G C 0.521 175.487 174.900 0.109 0.000 0.982 165 G CA 0.045 45.250 45.100 0.176 0.000 0.662 165 G HN 0.309 nan 8.290 nan 0.000 0.527 166 R N 0.151 120.687 120.500 0.060 0.000 2.552 166 R HA 0.482 4.822 4.340 -0.000 0.000 0.314 166 R C 1.000 177.307 176.300 0.012 0.000 1.041 166 R CA 0.511 56.635 56.100 0.039 0.000 1.076 166 R CB 0.768 31.092 30.300 0.039 0.000 1.290 166 R HN 0.532 nan 8.270 nan 0.000 0.563 167 G N -0.375 108.415 108.800 -0.017 0.000 2.692 167 G HA2 0.231 4.191 3.960 -0.000 0.000 0.291 167 G HA3 0.231 4.191 3.960 -0.000 0.000 0.291 167 G C -1.523 173.308 174.900 -0.115 0.000 1.423 167 G CA -0.675 44.384 45.100 -0.068 0.000 0.843 167 G HN -0.110 nan 8.290 nan 0.000 0.486 168 D N -0.583 119.761 120.400 -0.092 0.000 2.360 168 D HA 0.590 5.230 4.640 -0.000 0.000 0.242 168 D C -0.476 175.712 176.300 -0.186 0.000 1.184 168 D CA 0.579 54.559 54.000 -0.033 0.000 0.930 168 D CB 0.809 41.613 40.800 0.008 0.000 1.161 168 D HN 0.107 nan 8.370 nan 0.000 0.447 169 F N -0.572 119.402 119.950 0.040 0.000 2.631 169 F HA 0.546 5.073 4.527 -0.000 0.000 0.328 169 F C -0.301 175.545 175.800 0.076 0.000 1.067 169 F CA -0.891 57.140 58.000 0.053 0.000 0.969 169 F CB 1.178 40.210 39.000 0.054 0.000 1.332 169 F HN -0.054 nan 8.300 nan 0.000 0.490 170 L N 1.516 122.946 121.223 0.345 0.000 2.381 170 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 170 L C -1.118 175.974 176.870 0.370 0.000 0.997 170 L CA -1.065 53.952 54.840 0.295 0.000 0.818 170 L CB 1.936 44.174 42.059 0.297 0.000 1.310 170 L HN 0.585 nan 8.230 nan 0.000 0.416 171 D N 1.187 121.704 120.400 0.194 0.000 2.432 171 D HA 0.210 4.850 4.640 -0.000 0.000 0.258 171 D C 0.797 176.956 176.300 -0.235 0.000 1.146 171 D CA -0.660 53.382 54.000 0.070 0.000 1.015 171 D CB 0.833 41.629 40.800 -0.007 0.000 1.107 171 D HN 0.348 nan 8.370 nan 0.000 0.529 172 R N -0.462 119.636 120.500 -0.670 0.000 2.211 172 R HA -0.116 4.224 4.340 -0.000 0.000 0.240 172 R C 0.512 176.460 176.300 -0.587 0.000 1.144 172 R CA 1.398 56.742 56.100 -1.261 0.000 0.992 172 R CB -0.203 29.461 30.300 -1.061 0.000 0.869 172 R HN 0.523 nan 8.270 nan 0.000 0.462 173 D N -1.145 119.076 120.400 -0.299 0.000 2.340 173 D HA 0.057 4.697 4.640 -0.000 0.000 0.220 173 D C 1.194 177.454 176.300 -0.066 0.000 1.039 173 D CA 0.957 54.866 54.000 -0.152 0.000 0.866 173 D CB 0.803 41.540 40.800 -0.106 0.000 0.913 173 D HN 0.450 nan 8.370 nan 0.000 0.523 174 G N 1.020 109.802 108.800 -0.029 0.000 2.175 174 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.244 174 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.244 174 G C 0.542 175.468 174.900 0.044 0.000 0.982 174 G CA 0.164 45.290 45.100 0.043 0.000 0.641 174 G HN 0.272 nan 8.290 nan 0.000 0.527 175 T N 2.164 116.733 114.554 0.024 0.000 2.888 175 T HA 0.437 4.787 4.350 -0.000 0.000 0.301 175 T C 0.837 175.574 174.700 0.062 0.000 1.001 175 T CA 0.062 62.180 62.100 0.030 0.000 1.147 175 T CB 0.734 69.609 68.868 0.012 0.000 0.931 175 T HN 0.407 nan 8.240 nan 0.000 0.541 176 R N 2.577 123.112 120.500 0.059 0.000 2.357 176 R HA 0.566 4.906 4.340 -0.000 0.000 0.296 176 R C -0.455 175.895 176.300 0.084 0.000 1.052 176 R CA -0.515 55.632 56.100 0.078 0.000 0.988 176 R CB 0.687 31.021 30.300 0.056 0.000 1.025 176 R HN 0.501 nan 8.270 nan 0.000 0.469 177 L N 1.858 123.157 121.223 0.126 0.000 2.381 177 L HA 0.347 4.687 4.340 -0.000 0.000 0.268 177 L C -0.319 176.648 176.870 0.163 0.000 0.997 177 L CA -1.307 53.609 54.840 0.127 0.000 0.818 177 L CB 2.000 44.139 42.059 0.134 0.000 1.310 177 L HN 0.654 nan 8.230 nan 0.000 0.416 178 D N 0.893 121.368 120.400 0.125 0.000 2.371 178 D HA 0.165 4.805 4.640 -0.000 0.000 0.242 178 D C 1.279 177.707 176.300 0.213 0.000 1.218 178 D CA -0.081 53.997 54.000 0.130 0.000 0.945 178 D CB 0.879 41.729 40.800 0.082 0.000 1.137 178 D HN 0.580 nan 8.370 nan 0.000 0.464 179 G N -0.058 108.866 108.800 0.206 0.000 2.529 179 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 179 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 179 G C 1.511 176.552 174.900 0.235 0.000 1.177 179 G CA 1.732 47.011 45.100 0.298 0.000 0.773 179 G HN 0.695 nan 8.290 nan 0.000 0.573 180 A N 0.711 123.606 122.820 0.126 0.000 1.883 180 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 180 A C 2.221 179.823 177.584 0.031 0.000 1.186 180 A CA 2.375 54.453 52.037 0.068 0.000 0.624 180 A CB -0.504 18.525 19.000 0.049 0.000 0.822 180 A HN 0.452 nan 8.150 nan 0.000 0.444 181 E N 0.137 120.361 120.200 0.039 0.000 2.110 181 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 181 E C 1.939 178.502 176.600 -0.062 0.000 0.988 181 E CA 1.687 58.089 56.400 0.005 0.000 0.804 181 E CB -0.848 28.869 29.700 0.030 0.000 0.745 181 E HN 0.391 nan 8.360 nan 0.000 0.458 182 G N 0.685 109.435 108.800 -0.084 0.000 2.404 182 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 182 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 182 G C 1.617 176.143 174.900 -0.623 0.000 1.174 182 G CA 0.874 45.681 45.100 -0.488 0.000 0.780 182 G HN 0.312 nan 8.290 nan 0.000 0.537 183 L N -0.226 120.776 121.223 -0.369 0.000 2.083 183 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 183 L C 2.920 179.698 176.870 -0.153 0.000 1.083 183 L CA 1.111 55.815 54.840 -0.227 0.000 0.752 183 L CB -0.367 41.662 42.059 -0.051 0.000 0.899 183 L HN 0.206 nan 8.230 nan 0.000 0.433 184 R N 0.535 120.967 120.500 -0.113 0.000 2.061 184 R HA -0.176 4.164 4.340 -0.000 0.000 0.230 184 R C 2.536 178.785 176.300 -0.084 0.000 1.140 184 R CA 1.533 57.589 56.100 -0.073 0.000 0.940 184 R CB -0.197 30.076 30.300 -0.045 0.000 0.839 184 R HN 0.154 nan 8.270 nan 0.000 0.429 185 R N -0.439 120.001 120.500 -0.100 0.000 2.105 185 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 185 R C 1.855 178.099 176.300 -0.094 0.000 1.135 185 R CA 1.834 57.884 56.100 -0.084 0.000 0.967 185 R CB -0.482 29.773 30.300 -0.076 0.000 0.861 185 R HN 0.420 nan 8.270 nan 0.000 0.442 186 G N -0.366 108.342 108.800 -0.154 0.000 2.985 186 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.209 186 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.209 186 G C -0.136 174.706 174.900 -0.095 0.000 1.165 186 G CA -0.154 44.867 45.100 -0.131 0.000 0.776 186 G HN 0.368 nan 8.290 nan 0.000 0.541 187 R N -1.145 119.303 120.500 -0.087 0.000 3.333 187 R HA -0.141 4.199 4.340 -0.000 0.000 0.256 187 R C -0.488 175.779 176.300 -0.054 0.000 1.010 187 R CA 0.256 56.322 56.100 -0.057 0.000 0.680 187 R CB -2.310 27.968 30.300 -0.038 0.000 1.102 187 R HN 0.351 nan 8.270 nan 0.000 0.440 188 L N 0.324 121.502 121.223 -0.075 0.000 2.352 188 L HA 0.417 4.757 4.340 -0.000 0.000 0.269 188 L C 0.712 177.568 176.870 -0.024 0.000 1.034 188 L CA -1.091 53.719 54.840 -0.050 0.000 0.806 188 L CB 1.201 43.216 42.059 -0.073 0.000 1.244 188 L HN 0.000 nan 8.230 nan 0.000 0.447 189 Q N 1.945 121.744 119.800 -0.001 0.000 2.245 189 Q HA 0.408 4.748 4.340 -0.000 0.000 0.256 189 Q C -2.373 173.645 176.000 0.030 0.000 0.942 189 Q CA -1.965 53.844 55.803 0.011 0.000 0.896 189 Q CB 1.717 30.460 28.738 0.010 0.000 1.272 189 Q HN 0.303 nan 8.270 nan 0.000 0.442 190 P HA 0.003 nan 4.420 nan 0.000 0.268 190 P C -0.207 177.119 177.300 0.044 0.000 1.204 190 P CA -0.515 62.616 63.100 0.052 0.000 0.768 190 P CB 0.596 32.324 31.700 0.047 0.000 0.842 191 L N 3.232 124.484 121.223 0.047 0.000 2.499 191 L HA 0.162 4.502 4.340 -0.000 0.000 0.273 191 L C -0.017 176.871 176.870 0.030 0.000 1.195 191 L CA 0.786 55.645 54.840 0.032 0.000 0.882 191 L CB -0.507 41.568 42.059 0.025 0.000 1.133 191 L HN 0.312 nan 8.230 nan 0.000 0.483 192 D N 4.564 124.984 120.400 0.034 0.000 2.471 192 D HA 0.237 4.877 4.640 -0.000 0.000 0.245 192 D C -0.106 176.234 176.300 0.067 0.000 1.116 192 D CA -0.200 53.828 54.000 0.048 0.000 0.853 192 D CB 0.798 41.635 40.800 0.062 0.000 1.123 192 D HN 0.625 nan 8.370 nan 0.000 0.540 193 L N 3.066 124.320 121.223 0.051 0.000 2.728 193 L HA 0.089 4.429 4.340 -0.000 0.000 0.235 193 L C 1.948 178.864 176.870 0.076 0.000 1.197 193 L CA -0.092 54.784 54.840 0.060 0.000 0.992 193 L CB -0.123 41.947 42.059 0.019 0.000 1.263 193 L HN 0.385 nan 8.230 nan 0.000 0.484 194 S N -1.890 113.859 115.700 0.081 0.000 2.440 194 S HA -0.232 4.238 4.470 -0.000 0.000 0.238 194 S C 1.465 176.037 174.600 -0.046 0.000 1.010 194 S CA 1.063 59.263 58.200 -0.000 0.000 0.972 194 S CB -0.473 62.692 63.200 -0.058 0.000 0.774 194 S HN 0.531 nan 8.310 nan 0.000 0.501 195 H N 1.617 120.680 119.070 -0.011 0.000 2.556 195 H HA 0.344 4.900 4.556 -0.000 0.000 0.268 195 H C 0.638 175.957 175.328 -0.015 0.000 0.996 195 H CA 0.483 56.521 56.048 -0.017 0.000 1.157 195 H CB -0.184 29.565 29.762 -0.021 0.000 1.355 195 H HN 0.385 nan 8.280 nan 0.000 0.597 196 R N 0.847 121.400 120.500 0.088 0.000 3.531 196 R HA -0.131 4.209 4.340 -0.000 0.000 0.280 196 R C -0.780 175.566 176.300 0.076 0.000 1.130 196 R CA 0.848 56.986 56.100 0.063 0.000 0.757 196 R CB -1.876 28.448 30.300 0.041 0.000 1.218 196 R HN 0.542 nan 8.270 nan 0.000 0.454 197 D N -0.937 119.511 120.400 0.080 0.000 2.615 197 D HA 0.239 4.879 4.640 -0.000 0.000 0.236 197 D C 1.195 177.530 176.300 0.059 0.000 1.233 197 D CA 0.308 54.349 54.000 0.068 0.000 0.829 197 D CB 0.379 41.201 40.800 0.037 0.000 1.024 197 D HN 0.288 nan 8.370 nan 0.000 0.490 198 A N 0.366 123.220 122.820 0.056 0.000 1.972 198 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 198 A C 1.906 179.506 177.584 0.027 0.000 1.169 198 A CA 0.750 52.801 52.037 0.022 0.000 0.635 198 A CB -0.463 18.539 19.000 0.003 0.000 0.810 198 A HN 0.283 nan 8.150 nan 0.000 0.446 199 L N -0.650 120.623 121.223 0.084 0.000 2.551 199 L HA 0.016 4.356 4.340 -0.000 0.000 0.228 199 L C 2.560 179.485 176.870 0.093 0.000 1.153 199 L CA 1.154 56.056 54.840 0.104 0.000 0.851 199 L CB -0.451 41.727 42.059 0.198 0.000 0.959 199 L HN 0.384 nan 8.230 nan 0.000 0.451 200 A N -1.256 121.612 122.820 0.081 0.000 2.123 200 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 200 A C 2.081 179.681 177.584 0.027 0.000 1.152 200 A CA 0.872 52.950 52.037 0.067 0.000 0.728 200 A CB -0.178 18.859 19.000 0.062 0.000 0.814 200 A HN 0.389 nan 8.150 nan 0.000 0.464 201 L N -1.169 120.058 121.223 0.007 0.000 2.425 201 L HA 0.141 4.481 4.340 -0.000 0.000 0.215 201 L C 0.031 176.880 176.870 -0.036 0.000 1.065 201 L CA 0.238 55.067 54.840 -0.019 0.000 0.842 201 L CB 0.381 42.421 42.059 -0.030 0.000 1.033 201 L HN 0.034 nan 8.230 nan 0.000 0.474 202 V N 2.043 121.928 119.914 -0.048 0.000 2.218 202 V HA 0.382 4.502 4.120 -0.000 0.000 0.261 202 V C -0.492 175.573 176.094 -0.048 0.000 1.142 202 V CA -0.202 62.047 62.300 -0.084 0.000 0.965 202 V CB -0.192 31.536 31.823 -0.158 0.000 1.190 202 V HN 0.328 nan 8.190 nan 0.000 0.478 203 N N 1.876 120.562 118.700 -0.023 0.000 3.348 203 N HA 0.508 5.248 4.740 -0.000 0.000 0.233 203 N C -0.055 175.474 175.510 0.032 0.000 1.440 203 N CA 0.590 53.649 53.050 0.015 0.000 0.887 203 N CB 2.234 40.751 38.487 0.051 0.000 1.410 203 N HN 0.751 nan 8.380 nan 0.000 0.502 204 G N -0.012 108.840 108.800 0.087 0.000 2.645 204 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.239 204 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.239 204 G C 0.165 175.109 174.900 0.073 0.000 1.331 204 G CA 0.493 45.648 45.100 0.092 0.000 0.890 204 G HN 1.202 nan 8.290 nan 0.000 0.572 205 T N -3.108 111.475 114.554 0.048 0.000 3.269 205 T HA 0.574 4.924 4.350 -0.000 0.000 0.269 205 T C 1.775 176.480 174.700 0.007 0.000 0.993 205 T CA 0.936 63.056 62.100 0.034 0.000 0.909 205 T CB 0.491 69.378 68.868 0.032 0.000 1.115 205 T HN 0.830 nan 8.240 nan 0.000 0.543 206 S N 1.721 117.421 115.700 -0.001 0.000 2.383 206 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 206 S C 2.469 177.059 174.600 -0.017 0.000 1.030 206 S CA 1.295 59.485 58.200 -0.015 0.000 1.002 206 S CB -0.567 62.620 63.200 -0.022 0.000 0.829 206 S HN 0.833 nan 8.310 nan 0.000 0.467 207 A N 2.628 125.441 122.820 -0.011 0.000 1.855 207 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 207 A C 2.279 179.864 177.584 0.001 0.000 1.191 207 A CA 1.759 53.791 52.037 -0.009 0.000 0.613 207 A CB -0.780 18.217 19.000 -0.006 0.000 0.829 207 A HN 0.664 nan 8.150 nan 0.000 0.442 208 M N -1.627 117.978 119.600 0.009 0.000 2.229 208 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 208 M C 1.806 178.113 176.300 0.012 0.000 1.063 208 M CA 2.246 57.556 55.300 0.018 0.000 1.114 208 M CB -1.278 31.335 32.600 0.022 0.000 1.387 208 M HN 0.151 nan 8.290 nan 0.000 0.420 209 T N 1.223 115.775 114.554 -0.003 0.000 2.777 209 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 209 T C 1.979 176.676 174.700 -0.004 0.000 1.040 209 T CA 1.666 63.756 62.100 -0.016 0.000 1.141 209 T CB -0.739 68.110 68.868 -0.031 0.000 0.868 209 T HN 0.716 nan 8.240 nan 0.000 0.444 210 G N 1.302 110.097 108.800 -0.008 0.000 2.421 210 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 210 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 210 G C 1.526 176.438 174.900 0.020 0.000 1.171 210 G CA 0.502 45.597 45.100 -0.010 0.000 0.775 210 G HN 0.483 nan 8.290 nan 0.000 0.543 211 I N 1.460 122.047 120.570 0.028 0.000 2.179 211 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 211 I C 3.286 179.455 176.117 0.086 0.000 1.088 211 I CA 1.060 62.391 61.300 0.052 0.000 1.357 211 I CB -0.217 37.811 38.000 0.047 0.000 1.051 211 I HN 0.235 nan 8.210 nan 0.000 0.409 212 A N 1.246 124.120 122.820 0.091 0.000 1.933 212 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 212 A C 2.252 179.947 177.584 0.185 0.000 1.175 212 A CA 1.888 54.019 52.037 0.157 0.000 0.628 212 A CB -0.843 18.222 19.000 0.108 0.000 0.814 212 A HN 0.525 nan 8.150 nan 0.000 0.444 213 L N -2.076 119.218 121.223 0.118 0.000 2.156 213 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 213 L C 1.985 178.966 176.870 0.186 0.000 1.095 213 L CA 1.534 56.453 54.840 0.131 0.000 0.770 213 L CB -1.068 41.035 42.059 0.073 0.000 0.914 213 L HN -0.000 nan 8.230 nan 0.000 0.439 214 V N 0.969 120.990 119.914 0.178 0.000 2.427 214 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 214 V C 2.479 178.696 176.094 0.205 0.000 1.051 214 V CA 1.779 64.222 62.300 0.239 0.000 1.048 214 V CB -0.954 30.974 31.823 0.174 0.000 0.666 214 V HN 0.519 nan 8.190 nan 0.000 0.456 215 N N 0.811 119.603 118.700 0.153 0.000 2.120 215 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 215 N C 1.923 177.477 175.510 0.073 0.000 1.024 215 N CA 1.692 54.807 53.050 0.107 0.000 0.852 215 N CB -0.565 37.966 38.487 0.075 0.000 1.003 215 N HN 0.476 nan 8.380 nan 0.000 0.424 216 A N 0.391 123.277 122.820 0.109 0.000 1.908 216 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 216 A C 2.123 179.726 177.584 0.032 0.000 1.181 216 A CA 1.930 54.014 52.037 0.078 0.000 0.627 216 A CB -0.972 18.140 19.000 0.187 0.000 0.818 216 A HN 0.469 nan 8.150 nan 0.000 0.445 217 H N -0.270 118.772 119.070 -0.047 0.000 2.321 217 H HA 0.065 4.621 4.556 -0.000 0.000 0.300 217 H C 2.206 177.451 175.328 -0.138 0.000 1.087 217 H CA 1.937 57.872 56.048 -0.188 0.000 1.319 217 H CB -0.240 29.271 29.762 -0.418 0.000 1.379 217 H HN 0.394 nan 8.280 nan 0.000 0.501 218 A N -0.319 122.528 122.820 0.045 0.000 1.902 218 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 218 A C 2.693 180.265 177.584 -0.020 0.000 1.181 218 A CA 1.491 53.558 52.037 0.050 0.000 0.623 218 A CB -1.234 17.832 19.000 0.109 0.000 0.818 218 A HN 0.653 nan 8.150 nan 0.000 0.443 219 C N -1.351 117.953 119.300 0.007 0.000 2.422 219 C HA -0.032 4.428 4.460 -0.000 0.000 0.279 219 C C 2.779 177.751 174.990 -0.030 0.000 1.305 219 C CA 1.144 60.209 59.018 0.077 0.000 1.757 219 C CB -1.338 26.475 27.740 0.122 0.000 1.962 219 C HN 0.728 nan 8.230 nan 0.000 0.499 220 R N -0.136 120.243 120.500 -0.201 0.000 2.073 220 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 220 R C 2.263 178.359 176.300 -0.340 0.000 1.134 220 R CA 1.514 57.415 56.100 -0.332 0.000 0.952 220 R CB -0.398 29.603 30.300 -0.498 0.000 0.850 220 R HN 0.601 nan 8.270 nan 0.000 0.433 221 H N 0.521 119.462 119.070 -0.216 0.000 2.357 221 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 221 H C 2.180 177.501 175.328 -0.011 0.000 1.082 221 H CA 1.594 57.566 56.048 -0.126 0.000 1.342 221 H CB -0.210 29.480 29.762 -0.120 0.000 1.389 221 H HN 0.244 nan 8.280 nan 0.000 0.511 222 L N -0.153 121.046 121.223 -0.040 0.000 2.131 222 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 222 L C 2.743 179.467 176.870 -0.243 0.000 1.092 222 L CA 1.030 55.666 54.840 -0.340 0.000 0.759 222 L CB -0.748 40.731 42.059 -0.967 0.000 0.903 222 L HN 0.300 nan 8.230 nan 0.000 0.435 223 G N -0.070 108.716 108.800 -0.023 0.000 2.422 223 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 223 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 223 G C 1.396 176.381 174.900 0.142 0.000 1.146 223 G CA 0.505 45.758 45.100 0.256 0.000 0.769 223 G HN 0.318 nan 8.290 nan 0.000 0.547 224 N N 0.063 118.742 118.700 -0.035 0.000 2.188 224 N HA -0.084 4.656 4.740 -0.000 0.000 0.184 224 N C 1.846 177.265 175.510 -0.152 0.000 1.018 224 N CA 0.830 53.803 53.050 -0.128 0.000 0.858 224 N CB -0.314 38.039 38.487 -0.223 0.000 0.989 224 N HN 0.574 nan 8.380 nan 0.000 0.426 225 W N 1.651 122.909 121.300 -0.071 0.000 2.381 225 W HA 0.056 4.716 4.660 -0.000 0.000 0.301 225 W C 2.528 179.026 176.519 -0.036 0.000 1.205 225 W CA 1.171 58.470 57.345 -0.076 0.000 1.285 225 W CB -0.423 28.946 29.460 -0.151 0.000 1.133 225 W HN 0.025 nan 8.180 nan 0.000 0.521 226 A N -0.163 122.781 122.820 0.207 0.000 1.908 226 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 226 A C 1.991 179.662 177.584 0.144 0.000 1.181 226 A CA 2.180 54.351 52.037 0.223 0.000 0.627 226 A CB -1.109 18.115 19.000 0.373 0.000 0.818 226 A HN 0.105 nan 8.150 nan 0.000 0.445 227 V N -0.378 119.605 119.914 0.116 0.000 2.307 227 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 227 V C 3.064 179.141 176.094 -0.030 0.000 1.045 227 V CA 1.872 64.184 62.300 0.020 0.000 1.024 227 V CB -1.163 30.679 31.823 0.032 0.000 0.651 227 V HN 0.616 nan 8.190 nan 0.000 0.449 228 A N -0.235 122.559 122.820 -0.044 0.000 1.902 228 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 228 A C 2.183 179.783 177.584 0.027 0.000 1.181 228 A CA 1.771 53.770 52.037 -0.063 0.000 0.623 228 A CB -0.518 18.358 19.000 -0.206 0.000 0.818 228 A HN 0.514 nan 8.150 nan 0.000 0.443 229 L N -1.061 120.218 121.223 0.094 0.000 2.156 229 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 229 L C 2.679 179.611 176.870 0.104 0.000 1.095 229 L CA 1.519 56.433 54.840 0.124 0.000 0.770 229 L CB -0.888 41.270 42.059 0.165 0.000 0.914 229 L HN 0.309 nan 8.230 nan 0.000 0.439 230 T N 0.127 114.733 114.554 0.087 0.000 2.746 230 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 230 T C 2.050 176.855 174.700 0.175 0.000 1.039 230 T CA 1.334 63.496 62.100 0.103 0.000 1.142 230 T CB -0.127 68.751 68.868 0.017 0.000 0.866 230 T HN 0.435 nan 8.240 nan 0.000 0.444 231 A N 1.232 124.118 122.820 0.111 0.000 1.898 231 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 231 A C 2.202 179.904 177.584 0.196 0.000 1.181 231 A CA 1.139 53.305 52.037 0.215 0.000 0.620 231 A CB -0.791 18.268 19.000 0.098 0.000 0.819 231 A HN 0.394 nan 8.150 nan 0.000 0.442 232 L N -0.724 120.572 121.223 0.122 0.000 2.131 232 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 232 L C 2.201 179.129 176.870 0.096 0.000 1.092 232 L CA 1.735 56.632 54.840 0.096 0.000 0.759 232 L CB -0.668 41.438 42.059 0.078 0.000 0.903 232 L HN 0.379 nan 8.230 nan 0.000 0.435 233 L N -0.200 121.091 121.223 0.113 0.000 2.042 233 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 233 L C 2.494 179.425 176.870 0.101 0.000 1.076 233 L CA 2.074 56.973 54.840 0.098 0.000 0.749 233 L CB -1.021 41.106 42.059 0.114 0.000 0.893 233 L HN 0.262 nan 8.230 nan 0.000 0.432 234 A N -0.795 122.119 122.820 0.157 0.000 1.933 234 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 234 A C 2.124 179.735 177.584 0.046 0.000 1.175 234 A CA 1.805 53.900 52.037 0.096 0.000 0.628 234 A CB -0.621 18.456 19.000 0.129 0.000 0.814 234 A HN 0.642 nan 8.150 nan 0.000 0.444 235 E N -1.078 119.164 120.200 0.069 0.000 2.268 235 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 235 E C 1.665 178.282 176.600 0.029 0.000 0.995 235 E CA 0.977 57.403 56.400 0.044 0.000 0.836 235 E CB -0.261 29.471 29.700 0.054 0.000 0.763 235 E HN 0.686 nan 8.360 nan 0.000 0.491 236 C N 0.033 119.351 119.300 0.031 0.000 2.634 236 C HA 0.158 4.618 4.460 -0.000 0.000 0.268 236 C C 1.760 176.754 174.990 0.007 0.000 1.322 236 C CA 0.006 59.034 59.018 0.017 0.000 1.737 236 C CB -0.203 27.545 27.740 0.014 0.000 1.976 236 C HN 0.321 nan 8.230 nan 0.000 0.547 237 L N -0.132 121.096 121.223 0.009 0.000 3.066 237 L HA 0.285 4.625 4.340 -0.000 0.000 0.265 237 L C 0.379 177.241 176.870 -0.013 0.000 1.232 237 L CA -0.067 54.773 54.840 -0.001 0.000 1.031 237 L CB -0.289 41.772 42.059 0.005 0.000 1.379 237 L HN 0.229 nan 8.230 nan 0.000 0.563 238 R N 0.712 121.203 120.500 -0.014 0.000 3.333 238 R HA -0.153 4.187 4.340 -0.000 0.000 0.256 238 R C 0.707 176.975 176.300 -0.052 0.000 1.010 238 R CA 0.420 56.504 56.100 -0.026 0.000 0.680 238 R CB -1.872 28.415 30.300 -0.022 0.000 1.102 238 R HN 0.510 nan 8.270 nan 0.000 0.440 239 G N 0.602 109.358 108.800 -0.073 0.000 2.544 239 G HA2 0.191 4.150 3.960 -0.000 0.000 0.242 239 G HA3 0.191 4.150 3.960 -0.000 0.000 0.242 239 G C 0.008 174.772 174.900 -0.226 0.000 1.247 239 G CA -0.564 44.449 45.100 -0.146 0.000 0.840 239 G HN 0.238 nan 8.290 nan 0.000 0.578 240 R N 0.469 120.801 120.500 -0.280 0.000 2.221 240 R HA 0.238 4.578 4.340 -0.000 0.000 0.327 240 R C 1.536 177.530 176.300 -0.511 0.000 1.033 240 R CA 0.180 56.110 56.100 -0.285 0.000 0.887 240 R CB 0.941 31.130 30.300 -0.185 0.000 1.057 240 R HN 0.703 nan 8.270 nan 0.000 0.455 241 T N -1.217 113.089 114.554 -0.413 0.000 3.055 241 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 241 T C 1.466 176.018 174.700 -0.248 0.000 1.111 241 T CA 0.873 62.711 62.100 -0.436 0.000 1.118 241 T CB -0.018 68.747 68.868 -0.171 0.000 0.909 241 T HN 0.743 nan 8.240 nan 0.000 0.501 242 E N 1.904 121.998 120.200 -0.177 0.000 2.204 242 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 242 E C 2.227 178.792 176.600 -0.058 0.000 0.990 242 E CA 0.993 57.344 56.400 -0.081 0.000 0.821 242 E CB -0.600 29.066 29.700 -0.056 0.000 0.750 242 E HN 0.609 nan 8.360 nan 0.000 0.477 243 A N 0.723 123.457 122.820 -0.143 0.000 2.067 243 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 243 A C 1.033 178.738 177.584 0.202 0.000 1.158 243 A CA 0.763 52.780 52.037 -0.033 0.000 0.661 243 A CB -0.619 18.322 19.000 -0.099 0.000 0.801 243 A HN 0.516 nan 8.150 nan 0.000 0.452 244 W N -0.268 121.032 121.300 0.000 0.000 3.239 244 W HA 0.598 5.258 4.660 -0.000 0.000 0.368 244 W C 0.829 177.349 176.519 0.003 0.000 1.154 244 W CA -1.093 56.254 57.345 0.002 0.000 1.860 244 W CB -1.364 28.101 29.460 0.008 0.000 1.094 244 W HN 0.347 nan 8.180 nan 0.000 0.643 245 A N 0.891 123.818 122.820 0.179 0.000 2.531 245 A HA 0.406 4.726 4.320 -0.000 0.000 0.236 245 A C 1.701 179.337 177.584 0.088 0.000 1.062 245 A CA 0.742 52.841 52.037 0.104 0.000 0.760 245 A CB 0.549 19.583 19.000 0.056 0.000 0.995 245 A HN 0.265 nan 8.150 nan 0.000 0.501 246 A N 2.633 125.493 122.820 0.067 0.000 1.978 246 A HA 0.103 4.423 4.320 -0.000 0.000 0.220 246 A C 2.370 179.976 177.584 0.036 0.000 1.170 246 A CA 2.285 54.351 52.037 0.048 0.000 0.636 246 A CB -0.946 18.076 19.000 0.037 0.000 0.810 246 A HN 1.769 nan 8.150 nan 0.000 0.448 247 A N -0.258 122.580 122.820 0.031 0.000 1.940 247 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 247 A C 2.149 179.744 177.584 0.020 0.000 1.176 247 A CA 1.545 53.593 52.037 0.020 0.000 0.631 247 A CB -0.553 18.456 19.000 0.016 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.446 248 L N -0.573 120.668 121.223 0.031 0.000 2.093 248 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 248 L C 2.840 179.725 176.870 0.025 0.000 1.085 248 L CA 1.424 56.281 54.840 0.029 0.000 0.755 248 L CB -0.402 41.684 42.059 0.045 0.000 0.904 248 L HN 0.348 nan 8.230 nan 0.000 0.435 249 S N -0.350 115.370 115.700 0.033 0.000 2.368 249 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 249 S C 1.478 176.083 174.600 0.009 0.000 1.030 249 S CA 1.296 59.513 58.200 0.028 0.000 0.999 249 S CB -0.284 62.937 63.200 0.035 0.000 0.844 249 S HN 0.449 nan 8.310 nan 0.000 0.459 250 D N 1.435 121.839 120.400 0.007 0.000 2.218 250 D HA -0.009 4.630 4.640 -0.000 0.000 0.204 250 D C 1.720 178.009 176.300 -0.018 0.000 0.976 250 D CA 0.635 54.632 54.000 -0.005 0.000 0.853 250 D CB -0.234 40.565 40.800 -0.001 0.000 0.939 250 D HN 0.338 nan 8.370 nan 0.000 0.481 251 L N -0.472 120.743 121.223 -0.014 0.000 2.217 251 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 251 L C 1.588 178.434 176.870 -0.041 0.000 1.107 251 L CA 0.551 55.378 54.840 -0.022 0.000 0.783 251 L CB 0.147 42.199 42.059 -0.011 0.000 0.919 251 L HN -0.177 nan 8.230 nan 0.000 0.442 252 R N 0.733 121.206 120.500 -0.045 0.000 2.644 252 R HA 0.188 4.528 4.340 -0.000 0.000 0.271 252 R C -2.143 174.088 176.300 -0.115 0.000 1.687 252 R CA -1.389 54.658 56.100 -0.088 0.000 1.655 252 R CB 0.849 31.135 30.300 -0.024 0.000 1.285 252 R HN -0.137 nan 8.270 nan 0.000 0.643 253 P HA -0.110 nan 4.420 nan 0.000 0.311 253 P C -0.654 176.588 177.300 -0.096 0.000 1.543 253 P CA 0.326 63.368 63.100 -0.098 0.000 0.766 253 P CB -0.347 31.303 31.700 -0.082 0.000 1.711 254 H N 0.821 119.892 119.070 0.002 0.000 2.848 254 H HA 0.081 4.637 4.556 -0.000 0.000 0.317 254 H C -1.264 174.077 175.328 0.021 0.000 1.046 254 H CA -1.488 54.563 56.048 0.006 0.000 1.470 254 H CB 0.462 30.222 29.762 -0.002 0.000 1.483 254 H HN 0.084 nan 8.280 nan 0.000 0.548 255 P HA -0.165 nan 4.420 nan 0.000 0.215 255 P C 1.632 179.007 177.300 0.124 0.000 1.157 255 P CA 1.749 64.912 63.100 0.107 0.000 0.874 255 P CB 0.118 31.874 31.700 0.094 0.000 0.790 256 G N -0.506 108.384 108.800 0.150 0.000 2.422 256 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 256 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 256 G C 1.674 176.674 174.900 0.166 0.000 1.146 256 G CA 0.684 45.904 45.100 0.200 0.000 0.769 256 G HN 0.326 nan 8.290 nan 0.000 0.547 257 Q N 0.116 119.978 119.800 0.104 0.000 2.083 257 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 257 Q C 2.462 178.497 176.000 0.058 0.000 0.969 257 Q CA 1.472 57.308 55.803 0.054 0.000 0.838 257 Q CB -0.191 28.593 28.738 0.076 0.000 0.900 257 Q HN 0.512 nan 8.270 nan 0.000 0.436 258 K N 0.188 120.633 120.400 0.074 0.000 2.057 258 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 258 K C 1.628 178.260 176.600 0.052 0.000 1.049 258 K CA 1.882 58.201 56.287 0.054 0.000 0.931 258 K CB -0.147 32.382 32.500 0.048 0.000 0.714 258 K HN 0.189 nan 8.250 nan 0.000 0.440 259 D N -0.135 120.312 120.400 0.078 0.000 2.097 259 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 259 D C 1.724 178.082 176.300 0.096 0.000 0.984 259 D CA 1.484 55.530 54.000 0.076 0.000 0.826 259 D CB -0.052 40.800 40.800 0.087 0.000 0.973 259 D HN 0.323 nan 8.370 nan 0.000 0.460 260 A N 0.605 123.523 122.820 0.162 0.000 1.877 260 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 260 A C 2.401 179.945 177.584 -0.066 0.000 1.186 260 A CA 2.380 54.489 52.037 0.121 0.000 0.620 260 A CB -1.209 17.783 19.000 -0.012 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.443 261 A N -0.151 122.628 122.820 -0.070 0.000 1.883 261 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 261 A C 2.535 180.093 177.584 -0.042 0.000 1.186 261 A CA 2.330 54.312 52.037 -0.092 0.000 0.624 261 A CB -1.110 17.894 19.000 0.007 0.000 0.822 261 A HN 1.114 nan 8.150 nan 0.000 0.444 262 A N -0.219 122.599 122.820 -0.004 0.000 1.877 262 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 262 A C 2.236 179.813 177.584 -0.013 0.000 1.186 262 A CA 1.702 53.744 52.037 0.007 0.000 0.620 262 A CB -0.465 18.542 19.000 0.011 0.000 0.822 262 A HN 0.555 nan 8.150 nan 0.000 0.443 263 R N -0.618 119.863 120.500 -0.031 0.000 2.115 263 R HA 0.027 4.367 4.340 -0.000 0.000 0.230 263 R C 2.018 178.268 176.300 -0.084 0.000 1.111 263 R CA 1.235 57.306 56.100 -0.048 0.000 0.976 263 R CB -0.442 29.836 30.300 -0.036 0.000 0.870 263 R HN 0.507 nan 8.270 nan 0.000 0.445 264 L N 0.129 121.249 121.223 -0.172 0.000 2.056 264 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 264 L C 2.533 179.385 176.870 -0.030 0.000 1.078 264 L CA 1.377 56.026 54.840 -0.318 0.000 0.749 264 L CB -0.313 41.187 42.059 -0.931 0.000 0.901 264 L HN 0.144 nan 8.230 nan 0.000 0.433 265 R N -0.144 120.398 120.500 0.070 0.000 2.081 265 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 265 R C 2.400 178.759 176.300 0.098 0.000 1.131 265 R CA 1.349 57.551 56.100 0.169 0.000 0.960 265 R CB -0.514 29.866 30.300 0.134 0.000 0.856 265 R HN 0.356 nan 8.270 nan 0.000 0.436 266 A N 1.359 124.205 122.820 0.042 0.000 1.902 266 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 266 A C 2.050 179.647 177.584 0.022 0.000 1.181 266 A CA 1.101 53.151 52.037 0.022 0.000 0.623 266 A CB -0.274 18.724 19.000 -0.004 0.000 0.818 266 A HN 0.108 nan 8.150 nan 0.000 0.443 267 R N -0.198 120.311 120.500 0.015 0.000 2.105 267 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 267 R C 1.877 178.211 176.300 0.057 0.000 1.135 267 R CA 1.740 57.849 56.100 0.015 0.000 0.967 267 R CB -1.293 29.003 30.300 -0.006 0.000 0.861 267 R HN 0.681 nan 8.270 nan 0.000 0.442 268 V N -0.992 118.988 119.914 0.110 0.000 3.596 268 V HA 0.146 4.266 4.120 -0.000 0.000 0.289 268 V C 0.607 176.748 176.094 0.079 0.000 1.336 268 V CA -0.530 61.841 62.300 0.119 0.000 1.137 268 V CB -0.349 31.592 31.823 0.196 0.000 0.966 268 V HN -0.009 nan 8.190 nan 0.000 0.428 269 D N 1.600 122.037 120.400 0.061 0.000 2.458 269 D HA 0.286 4.926 4.640 -0.000 0.000 0.243 269 D C 1.334 177.651 176.300 0.028 0.000 1.146 269 D CA 1.650 55.674 54.000 0.040 0.000 0.877 269 D CB 1.050 41.868 40.800 0.030 0.000 1.176 269 D HN 0.626 nan 8.370 nan 0.000 0.461 270 G N 2.684 111.497 108.800 0.021 0.000 2.175 270 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 270 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 270 G C 0.419 175.330 174.900 0.018 0.000 0.982 270 G CA 0.448 45.557 45.100 0.016 0.000 0.641 270 G HN 0.720 nan 8.290 nan 0.000 0.527 271 S N 0.091 115.806 115.700 0.024 0.000 2.565 271 S HA 0.682 5.152 4.470 -0.000 0.000 0.274 271 S C 1.227 175.837 174.600 0.017 0.000 1.309 271 S CA 0.785 59.000 58.200 0.025 0.000 1.043 271 S CB 1.353 64.575 63.200 0.037 0.000 0.939 271 S HN 1.588 nan 8.310 nan 0.000 0.504 272 A N 5.243 128.073 122.820 0.017 0.000 2.431 272 A HA 0.327 4.647 4.320 -0.000 0.000 0.239 272 A C 1.791 179.385 177.584 0.016 0.000 1.230 272 A CA -0.324 51.722 52.037 0.015 0.000 0.928 272 A CB 0.071 19.081 19.000 0.015 0.000 1.006 272 A HN 0.727 nan 8.150 nan 0.000 0.520 273 R N -0.091 120.419 120.500 0.016 0.000 2.254 273 R HA 0.091 4.431 4.340 -0.000 0.000 0.195 273 R C 0.827 177.129 176.300 0.004 0.000 0.957 273 R CA 0.956 57.064 56.100 0.012 0.000 1.024 273 R CB -0.481 29.829 30.300 0.016 0.000 0.952 273 R HN 0.496 nan 8.270 nan 0.000 0.484 274 V N -1.073 118.840 119.914 -0.001 0.000 3.036 274 V HA 0.401 4.521 4.120 -0.000 0.000 0.308 274 V C 0.514 176.596 176.094 -0.020 0.000 1.070 274 V CA -0.908 61.374 62.300 -0.030 0.000 1.056 274 V CB 1.869 33.661 31.823 -0.051 0.000 1.084 274 V HN -0.256 nan 8.190 nan 0.000 0.471 275 V N 4.122 124.013 119.914 -0.038 0.000 2.364 275 V HA 0.438 4.558 4.120 -0.000 0.000 0.272 275 V C 1.055 177.142 176.094 -0.011 0.000 1.036 275 V CA -0.253 62.059 62.300 0.020 0.000 0.880 275 V CB 0.651 32.480 31.823 0.009 0.000 0.991 275 V HN 0.931 nan 8.190 nan 0.000 0.460 276 R N 1.637 122.136 120.500 -0.003 0.000 2.362 276 R HA 0.182 4.522 4.340 -0.000 0.000 0.227 276 R C -0.231 175.986 176.300 -0.138 0.000 0.905 276 R CA -0.176 55.861 56.100 -0.103 0.000 1.067 276 R CB 0.175 30.385 30.300 -0.151 0.000 1.078 276 R HN 0.734 nan 8.270 nan 0.000 0.516 277 H N 0.205 119.248 119.070 -0.044 0.000 2.848 277 H HA 0.079 4.635 4.556 -0.000 0.000 0.317 277 H C -0.189 175.117 175.328 -0.038 0.000 1.046 277 H CA -0.140 55.887 56.048 -0.034 0.000 1.470 277 H CB 0.844 30.588 29.762 -0.029 0.000 1.483 277 H HN -0.207 nan 8.280 nan 0.000 0.548 278 V N 6.263 126.210 119.914 0.055 0.000 2.439 278 V HA -0.062 4.057 4.120 -0.000 0.000 0.271 278 V C 1.933 178.050 176.094 0.038 0.000 1.040 278 V CA 0.096 62.410 62.300 0.025 0.000 1.002 278 V CB -0.423 31.404 31.823 0.007 0.000 1.000 278 V HN 0.848 nan 8.190 nan 0.000 0.477 279 I N 3.263 123.847 120.570 0.023 0.000 2.315 279 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 279 I C 2.077 178.201 176.117 0.011 0.000 1.125 279 I CA 2.018 63.327 61.300 0.015 0.000 1.392 279 I CB -0.256 37.745 38.000 0.002 0.000 1.065 279 I HN 0.558 nan 8.210 nan 0.000 0.424 280 A N 0.890 123.716 122.820 0.010 0.000 2.172 280 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 280 A C 2.119 179.709 177.584 0.010 0.000 1.154 280 A CA 0.982 53.023 52.037 0.007 0.000 0.701 280 A CB -0.483 18.520 19.000 0.005 0.000 0.789 280 A HN 0.511 nan 8.150 nan 0.000 0.465 281 E N 0.082 120.292 120.200 0.016 0.000 2.208 281 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 281 E C 1.135 177.745 176.600 0.016 0.000 0.988 281 E CA 0.247 56.659 56.400 0.019 0.000 0.828 281 E CB -0.217 29.502 29.700 0.032 0.000 0.763 281 E HN 0.627 nan 8.360 nan 0.000 0.478 282 R N 1.762 122.270 120.500 0.014 0.000 2.401 282 R HA 0.080 4.420 4.340 -0.000 0.000 0.299 282 R C -0.379 175.922 176.300 0.002 0.000 1.064 282 R CA -0.030 56.073 56.100 0.005 0.000 1.000 282 R CB 0.399 30.697 30.300 -0.003 0.000 0.973 282 R HN -0.133 nan 8.270 nan 0.000 0.438 283 R N 5.341 125.841 120.500 0.000 0.000 2.229 283 R HA 0.267 4.607 4.340 -0.000 0.000 0.328 283 R C -0.406 175.892 176.300 -0.003 0.000 1.009 283 R CA -0.562 55.537 56.100 -0.001 0.000 0.864 283 R CB 1.086 31.386 30.300 0.000 0.000 1.085 283 R HN 0.474 nan 8.270 nan 0.000 0.453 284 L N 3.422 124.643 121.223 -0.004 0.000 2.395 284 L HA 0.262 4.602 4.340 -0.000 0.000 0.269 284 L C 0.562 177.429 176.870 -0.005 0.000 1.133 284 L CA -0.283 54.554 54.840 -0.005 0.000 0.812 284 L CB 0.633 42.689 42.059 -0.005 0.000 1.125 284 L HN 0.676 nan 8.230 nan 0.000 0.452 285 D N 1.710 122.106 120.400 -0.006 0.000 2.423 285 D HA 0.311 4.951 4.640 -0.000 0.000 0.235 285 D C 0.576 176.873 176.300 -0.005 0.000 1.011 285 D CA -0.458 53.539 54.000 -0.005 0.000 0.963 285 D CB 1.972 42.769 40.800 -0.005 0.000 1.349 285 D HN 0.487 nan 8.370 nan 0.000 0.508 286 A N 1.096 123.914 122.820 -0.004 0.000 1.971 286 A HA -0.150 4.170 4.320 -0.000 0.000 0.222 286 A C 2.016 179.597 177.584 -0.005 0.000 1.182 286 A CA 2.391 54.426 52.037 -0.004 0.000 0.649 286 A CB -1.446 17.552 19.000 -0.004 0.000 0.818 286 A HN 0.749 nan 8.150 nan 0.000 0.458 287 G N -1.359 107.438 108.800 -0.006 0.000 2.679 287 G HA2 -0.042 3.917 3.960 -0.000 0.000 0.212 287 G HA3 -0.042 3.917 3.960 -0.000 0.000 0.212 287 G C 0.836 175.731 174.900 -0.008 0.000 1.137 287 G CA 0.947 46.043 45.100 -0.006 0.000 0.787 287 G HN 0.526 nan 8.290 nan 0.000 0.534 288 D N 0.251 120.646 120.400 -0.008 0.000 2.346 288 D HA 0.037 4.677 4.640 -0.000 0.000 0.206 288 D C 0.979 177.274 176.300 -0.009 0.000 1.001 288 D CA -0.135 53.859 54.000 -0.010 0.000 0.871 288 D CB 0.524 41.318 40.800 -0.010 0.000 0.943 288 D HN 0.128 nan 8.370 nan 0.000 0.518 289 I N 1.689 122.254 120.570 -0.007 0.000 2.664 289 I HA 0.280 4.450 4.170 -0.000 0.000 0.284 289 I C 1.342 177.455 176.117 -0.007 0.000 1.154 289 I CA 0.822 62.119 61.300 -0.006 0.000 1.402 289 I CB -0.072 37.925 38.000 -0.005 0.000 1.395 289 I HN -0.013 nan 8.210 nan 0.000 0.545 290 G N 5.472 114.268 108.800 -0.007 0.000 2.336 290 G HA2 0.180 4.139 3.960 -0.000 0.000 0.286 290 G HA3 0.180 4.139 3.960 -0.000 0.000 0.286 290 G C -1.193 173.702 174.900 -0.008 0.000 1.269 290 G CA -0.645 44.451 45.100 -0.007 0.000 0.873 290 G HN 0.358 nan 8.290 nan 0.000 0.494 291 T N 1.918 116.467 114.554 -0.008 0.000 2.756 291 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 291 T C -0.137 174.556 174.700 -0.011 0.000 0.985 291 T CA -0.219 61.875 62.100 -0.009 0.000 0.955 291 T CB 1.252 70.115 68.868 -0.008 0.000 0.930 291 T HN 0.443 nan 8.240 nan 0.000 0.451 292 E N 3.219 123.412 120.200 -0.012 0.000 2.318 292 E HA 0.197 4.547 4.350 -0.000 0.000 0.265 292 E C -1.283 175.308 176.600 -0.015 0.000 1.069 292 E CA -1.990 54.401 56.400 -0.015 0.000 0.893 292 E CB 0.690 30.379 29.700 -0.017 0.000 1.076 292 E HN 0.321 nan 8.360 nan 0.000 0.414 293 P HA -0.143 nan 4.420 nan 0.000 0.215 293 P C -0.566 176.723 177.300 -0.017 0.000 1.153 293 P CA 1.419 64.510 63.100 -0.016 0.000 0.853 293 P CB 0.312 32.001 31.700 -0.018 0.000 0.788 294 E N -1.718 118.471 120.200 -0.018 0.000 2.367 294 E HA 0.590 4.940 4.350 -0.000 0.000 0.273 294 E C -0.941 175.649 176.600 -0.016 0.000 0.903 294 E CA -1.127 55.263 56.400 -0.018 0.000 0.764 294 E CB 2.133 31.821 29.700 -0.020 0.000 1.252 294 E HN -0.091 nan 8.360 nan 0.000 0.446 295 A N 0.629 123.442 122.820 -0.012 0.000 2.346 295 A HA 0.409 4.729 4.320 -0.000 0.000 0.252 295 A C 1.178 178.756 177.584 -0.010 0.000 1.089 295 A CA 0.414 52.446 52.037 -0.008 0.000 0.797 295 A CB 0.053 19.052 19.000 -0.001 0.000 1.047 295 A HN 0.785 nan 8.150 nan 0.000 0.494 296 G N -0.832 107.964 108.800 -0.007 0.000 2.848 296 G HA2 0.283 4.243 3.960 -0.000 0.000 0.208 296 G HA3 0.283 4.243 3.960 -0.000 0.000 0.208 296 G C 0.460 175.354 174.900 -0.010 0.000 1.152 296 G CA 0.385 45.479 45.100 -0.010 0.000 0.789 296 G HN 0.717 nan 8.290 nan 0.000 0.531 297 Q N 0.024 119.824 119.800 -0.000 0.000 2.423 297 Q HA 0.332 4.672 4.340 -0.000 0.000 0.278 297 Q C -1.488 174.521 176.000 0.015 0.000 1.097 297 Q CA -1.042 54.764 55.803 0.005 0.000 0.809 297 Q CB 2.021 30.778 28.738 0.031 0.000 1.391 297 Q HN 0.028 nan 8.270 nan 0.000 0.428 298 D N 0.576 120.984 120.400 0.014 0.000 2.387 298 D HA 0.406 5.045 4.640 -0.000 0.000 0.251 298 D C -0.191 176.168 176.300 0.098 0.000 1.141 298 D CA -0.215 53.803 54.000 0.030 0.000 0.987 298 D CB 0.876 41.679 40.800 0.005 0.000 1.116 298 D HN 0.626 nan 8.370 nan 0.000 0.491 299 A N 0.344 123.216 122.820 0.087 0.000 2.429 299 A HA -0.012 4.308 4.320 -0.000 0.000 0.242 299 A C 0.616 178.356 177.584 0.260 0.000 1.088 299 A CA -0.036 52.067 52.037 0.110 0.000 0.784 299 A CB -0.105 18.917 19.000 0.037 0.000 1.038 299 A HN 0.539 nan 8.150 nan 0.000 0.501 300 Y N 0.953 121.270 120.300 0.029 0.000 2.256 300 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 300 Y C 2.917 178.852 175.900 0.058 0.000 1.155 300 Y CA 1.608 59.732 58.100 0.040 0.000 1.203 300 Y CB -1.298 37.177 38.460 0.025 0.000 0.980 300 Y HN 0.744 nan 8.280 nan 0.000 0.530 301 S N -1.066 114.762 115.700 0.214 0.000 2.493 301 S HA -0.110 4.359 4.470 -0.000 0.000 0.243 301 S C 1.751 176.457 174.600 0.176 0.000 0.991 301 S CA 1.142 59.434 58.200 0.153 0.000 0.957 301 S CB -0.534 62.732 63.200 0.109 0.000 0.756 301 S HN 0.469 nan 8.310 nan 0.000 0.521 302 L N -0.437 120.910 121.223 0.206 0.000 2.588 302 L HA 0.360 4.700 4.340 -0.000 0.000 0.194 302 L C 2.699 179.783 176.870 0.356 0.000 1.070 302 L CA 0.194 55.206 54.840 0.286 0.000 0.852 302 L CB -0.195 41.970 42.059 0.176 0.000 1.199 302 L HN 0.165 nan 8.230 nan 0.000 0.486 303 R N -0.060 120.565 120.500 0.208 0.000 2.120 303 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 303 R C 1.532 177.923 176.300 0.150 0.000 1.123 303 R CA 1.757 57.950 56.100 0.154 0.000 0.975 303 R CB -0.175 30.175 30.300 0.083 0.000 0.866 303 R HN 0.388 nan 8.270 nan 0.000 0.446 304 C N 0.270 119.620 119.300 0.083 0.000 2.780 304 C HA 0.437 4.897 4.460 -0.000 0.000 0.287 304 C C 2.144 177.144 174.990 0.016 0.000 1.288 304 C CA -0.362 58.645 59.018 -0.018 0.000 1.713 304 C CB -0.355 27.281 27.740 -0.174 0.000 1.955 304 C HN 0.629 nan 8.230 nan 0.000 0.613 305 A N 2.707 125.582 122.820 0.092 0.000 1.883 305 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 305 A C 0.019 177.517 177.584 -0.143 0.000 1.186 305 A CA 1.859 53.884 52.037 -0.019 0.000 0.624 305 A CB -1.597 17.394 19.000 -0.015 0.000 0.822 305 A HN 0.418 nan 8.150 nan 0.000 0.444 306 P HA -0.147 nan 4.420 nan 0.000 0.216 306 P C 1.282 178.505 177.300 -0.130 0.000 1.150 306 P CA 1.492 64.493 63.100 -0.164 0.000 0.837 306 P CB -0.041 31.609 31.700 -0.084 0.000 0.786 307 Q N -0.983 118.763 119.800 -0.090 0.000 2.083 307 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 307 Q C 2.133 178.049 176.000 -0.140 0.000 0.969 307 Q CA 1.225 56.973 55.803 -0.092 0.000 0.838 307 Q CB -1.337 27.356 28.738 -0.074 0.000 0.900 307 Q HN 0.085 nan 8.270 nan 0.000 0.436 308 V N 0.364 120.193 119.914 -0.143 0.000 2.283 308 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 308 V C 2.095 178.034 176.094 -0.259 0.000 1.039 308 V CA 1.470 63.673 62.300 -0.161 0.000 1.016 308 V CB -0.605 31.152 31.823 -0.110 0.000 0.650 308 V HN 0.305 nan 8.190 nan 0.000 0.449 309 L N 0.601 121.619 121.223 -0.340 0.000 2.046 309 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 309 L C 2.652 178.973 176.870 -0.914 0.000 1.077 309 L CA 1.772 56.216 54.840 -0.660 0.000 0.747 309 L CB -1.185 40.479 42.059 -0.658 0.000 0.896 309 L HN 0.487 nan 8.230 nan 0.000 0.432 310 G N -0.432 108.066 108.800 -0.505 0.000 2.422 310 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 310 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 310 G C 1.767 176.559 174.900 -0.179 0.000 1.146 310 G CA 0.788 45.726 45.100 -0.269 0.000 0.769 310 G HN 0.470 nan 8.290 nan 0.000 0.547 311 A N 0.759 123.452 122.820 -0.212 0.000 1.930 311 A HA 0.206 4.525 4.320 -0.000 0.000 0.217 311 A C 2.660 180.177 177.584 -0.112 0.000 1.175 311 A CA 1.967 53.899 52.037 -0.175 0.000 0.627 311 A CB -0.866 18.025 19.000 -0.181 0.000 0.815 311 A HN 0.482 nan 8.150 nan 0.000 0.443 312 G N -1.061 107.640 108.800 -0.165 0.000 2.402 312 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.216 312 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.216 312 G C 1.274 176.257 174.900 0.138 0.000 1.162 312 G CA 0.976 46.029 45.100 -0.077 0.000 0.777 312 G HN 0.373 nan 8.290 nan 0.000 0.539 313 F N 1.743 121.696 119.950 0.005 0.000 2.171 313 F HA 0.036 4.562 4.527 -0.000 0.000 0.300 313 F C 2.272 178.095 175.800 0.038 0.000 1.090 313 F CA 0.386 58.401 58.000 0.025 0.000 1.293 313 F CB -0.587 38.421 39.000 0.013 0.000 1.013 313 F HN 0.117 nan 8.300 nan 0.000 0.486 314 D N -0.664 119.859 120.400 0.205 0.000 2.224 314 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 314 D C 2.202 178.606 176.300 0.173 0.000 0.965 314 D CA 1.300 55.386 54.000 0.144 0.000 0.852 314 D CB -0.313 40.518 40.800 0.050 0.000 0.947 314 D HN 0.197 nan 8.370 nan 0.000 0.494 315 T N 1.109 115.758 114.554 0.159 0.000 2.812 315 T HA -0.099 4.251 4.350 -0.000 0.000 0.264 315 T C 1.894 176.760 174.700 0.277 0.000 1.042 315 T CA 0.322 62.557 62.100 0.226 0.000 1.140 315 T CB -0.170 68.785 68.868 0.146 0.000 0.870 315 T HN 0.041 nan 8.240 nan 0.000 0.445 316 L N 1.564 122.910 121.223 0.206 0.000 2.083 316 L HA 0.119 4.459 4.340 -0.000 0.000 0.209 316 L C 2.534 179.521 176.870 0.195 0.000 1.083 316 L CA 1.641 56.579 54.840 0.164 0.000 0.752 316 L CB -0.966 41.172 42.059 0.133 0.000 0.899 316 L HN 0.212 nan 8.230 nan 0.000 0.433 317 A N -1.234 121.704 122.820 0.197 0.000 1.902 317 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 317 A C 2.117 179.840 177.584 0.231 0.000 1.181 317 A CA 1.645 53.786 52.037 0.175 0.000 0.623 317 A CB -1.389 17.705 19.000 0.157 0.000 0.818 317 A HN 0.733 nan 8.150 nan 0.000 0.443 318 W N 0.307 121.664 121.300 0.095 0.000 2.381 318 W HA -0.164 4.496 4.660 -0.000 0.000 0.301 318 W C 2.235 178.817 176.519 0.107 0.000 1.205 318 W CA 1.828 59.224 57.345 0.085 0.000 1.285 318 W CB -0.686 28.818 29.460 0.073 0.000 1.133 318 W HN 0.622 nan 8.180 nan 0.000 0.521 319 H N 0.211 119.230 119.070 -0.084 0.000 2.319 319 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 319 H C 1.365 176.582 175.328 -0.185 0.000 1.092 319 H CA 2.420 58.317 56.048 -0.252 0.000 1.302 319 H CB -0.534 29.187 29.762 -0.069 0.000 1.373 319 H HN 0.051 nan 8.280 nan 0.000 0.497 320 D N 0.239 120.694 120.400 0.091 0.000 2.178 320 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 320 D C 2.598 178.869 176.300 -0.049 0.000 0.974 320 D CA 0.599 54.623 54.000 0.039 0.000 0.841 320 D CB -0.213 40.648 40.800 0.101 0.000 0.953 320 D HN 0.391 nan 8.370 nan 0.000 0.478 321 R N 0.265 120.741 120.500 -0.041 0.000 2.073 321 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 321 R C 2.346 178.584 176.300 -0.103 0.000 1.134 321 R CA 0.785 56.868 56.100 -0.028 0.000 0.952 321 R CB -0.478 29.850 30.300 0.047 0.000 0.850 321 R HN 0.097 nan 8.270 nan 0.000 0.433 322 V N 1.447 121.219 119.914 -0.236 0.000 2.343 322 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 322 V C 2.220 178.163 176.094 -0.251 0.000 1.051 322 V CA 1.382 63.520 62.300 -0.271 0.000 1.036 322 V CB -0.438 31.110 31.823 -0.459 0.000 0.654 322 V HN 0.232 nan 8.190 nan 0.000 0.451 323 L N 0.036 121.073 121.223 -0.310 0.000 2.083 323 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 323 L C 2.443 179.228 176.870 -0.142 0.000 1.083 323 L CA 2.328 57.012 54.840 -0.260 0.000 0.752 323 L CB -0.991 40.871 42.059 -0.329 0.000 0.899 323 L HN 0.327 nan 8.230 nan 0.000 0.433 324 T N -0.149 114.347 114.554 -0.097 0.000 2.788 324 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 324 T C 1.961 176.646 174.700 -0.026 0.000 1.044 324 T CA 1.952 64.030 62.100 -0.036 0.000 1.139 324 T CB -0.271 68.618 68.868 0.034 0.000 0.867 324 T HN 0.318 nan 8.240 nan 0.000 0.454 325 I N 0.595 121.134 120.570 -0.051 0.000 2.202 325 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 325 I C 2.717 178.781 176.117 -0.089 0.000 1.091 325 I CA 1.217 62.483 61.300 -0.057 0.000 1.368 325 I CB -0.304 37.638 38.000 -0.096 0.000 1.058 325 I HN 0.193 nan 8.210 nan 0.000 0.410 326 E N 1.370 121.495 120.200 -0.124 0.000 2.058 326 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 326 E C 2.041 178.589 176.600 -0.087 0.000 0.997 326 E CA 1.400 57.729 56.400 -0.118 0.000 0.801 326 E CB -0.313 29.312 29.700 -0.124 0.000 0.746 326 E HN 0.297 nan 8.360 nan 0.000 0.450 327 L N 1.026 122.197 121.223 -0.087 0.000 2.042 327 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 327 L C 1.199 178.020 176.870 -0.082 0.000 1.076 327 L CA 1.878 56.668 54.840 -0.082 0.000 0.749 327 L CB -0.480 41.523 42.059 -0.094 0.000 0.893 327 L HN 0.157 nan 8.230 nan 0.000 0.432 328 N N -0.085 118.568 118.700 -0.078 0.000 2.314 328 N HA 0.196 4.936 4.740 -0.000 0.000 0.200 328 N C 0.293 175.787 175.510 -0.026 0.000 1.135 328 N CA 0.634 53.651 53.050 -0.055 0.000 0.835 328 N CB 0.214 38.690 38.487 -0.018 0.000 0.989 328 N HN 0.435 nan 8.380 nan 0.000 0.478 329 A N 0.171 122.965 122.820 -0.043 0.000 2.261 329 A HA 0.600 4.920 4.320 -0.000 0.000 0.323 329 A C -0.039 177.521 177.584 -0.039 0.000 1.107 329 A CA -0.419 51.592 52.037 -0.044 0.000 0.883 329 A CB 1.066 20.024 19.000 -0.069 0.000 1.251 329 A HN -0.040 nan 8.150 nan 0.000 0.502 330 V N 1.291 121.182 119.914 -0.040 0.000 2.311 330 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 330 V C 0.909 176.979 176.094 -0.041 0.000 1.022 330 V CA 0.416 62.697 62.300 -0.032 0.000 0.830 330 V CB 0.596 32.401 31.823 -0.029 0.000 1.012 330 V HN 1.034 nan 8.190 nan 0.000 0.452 331 T N -0.724 113.816 114.554 -0.024 0.000 3.186 331 T HA 0.201 4.551 4.350 -0.000 0.000 0.257 331 T C 0.164 174.883 174.700 0.031 0.000 1.029 331 T CA -0.532 61.560 62.100 -0.014 0.000 0.916 331 T CB -0.346 68.525 68.868 0.004 0.000 1.041 331 T HN 0.537 nan 8.240 nan 0.000 0.562 332 D N 2.434 122.844 120.400 0.017 0.000 2.344 332 D HA 0.507 5.147 4.640 -0.000 0.000 0.244 332 D C -0.104 176.214 176.300 0.031 0.000 1.134 332 D CA -0.026 54.000 54.000 0.043 0.000 0.930 332 D CB 0.490 41.298 40.800 0.013 0.000 1.175 332 D HN 0.325 nan 8.370 nan 0.000 0.437 333 N N 0.058 118.810 118.700 0.085 0.000 2.503 333 N HA 0.293 5.033 4.740 -0.000 0.000 0.287 333 N C -2.940 172.608 175.510 0.062 0.000 1.096 333 N CA -1.367 51.711 53.050 0.046 0.000 0.936 333 N CB 1.879 40.520 38.487 0.257 0.000 1.570 333 N HN 0.023 nan 8.380 nan 0.000 0.504 334 P HA 0.338 nan 4.420 nan 0.000 0.279 334 P C -0.892 176.086 177.300 -0.536 0.000 1.282 334 P CA -0.458 62.389 63.100 -0.422 0.000 0.788 334 P CB 0.982 32.253 31.700 -0.714 0.000 1.139 335 V N -3.719 115.786 119.914 -0.681 0.000 3.001 335 V HA 0.635 4.755 4.120 -0.000 0.000 0.314 335 V C -1.013 174.580 176.094 -0.836 0.000 1.099 335 V CA -0.939 60.984 62.300 -0.629 0.000 0.989 335 V CB 1.627 33.284 31.823 -0.277 0.000 1.040 335 V HN 0.220 nan 8.190 nan 0.000 0.434 336 F N 1.911 121.842 119.950 -0.032 0.000 2.366 336 F HA 0.612 5.139 4.527 -0.000 0.000 0.366 336 F C -2.423 173.368 175.800 -0.015 0.000 1.096 336 F CA -2.583 55.405 58.000 -0.020 0.000 1.060 336 F CB 1.337 40.333 39.000 -0.007 0.000 1.282 336 F HN 0.291 nan 8.300 nan 0.000 0.450 337 P HA 0.008 nan 4.420 nan 0.000 0.258 337 P C -1.992 175.350 177.300 0.069 0.000 1.187 337 P CA -0.630 62.499 63.100 0.050 0.000 0.767 337 P CB 0.449 32.166 31.700 0.029 0.000 0.770 338 P HA -0.188 nan 4.420 nan 0.000 0.218 338 P C 0.940 178.261 177.300 0.034 0.000 1.148 338 P CA 1.360 64.487 63.100 0.044 0.000 0.822 338 P CB -0.086 31.633 31.700 0.031 0.000 0.784 339 D N -1.502 118.914 120.400 0.028 0.000 2.312 339 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 339 D C 1.496 177.812 176.300 0.026 0.000 0.964 339 D CA 1.102 55.115 54.000 0.022 0.000 0.877 339 D CB -1.196 39.613 40.800 0.015 0.000 0.924 339 D HN 0.210 nan 8.370 nan 0.000 0.515 340 G N 0.099 108.921 108.800 0.036 0.000 2.148 340 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.254 340 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.254 340 G C 1.215 176.136 174.900 0.036 0.000 0.981 340 G CA 1.196 46.320 45.100 0.040 0.000 0.670 340 G HN 0.649 nan 8.290 nan 0.000 0.528 341 S N -1.285 114.433 115.700 0.030 0.000 2.359 341 S HA 0.156 4.626 4.470 -0.000 0.000 0.224 341 S C 1.243 175.861 174.600 0.031 0.000 1.035 341 S CA 2.022 60.237 58.200 0.025 0.000 1.018 341 S CB -0.487 62.724 63.200 0.017 0.000 0.876 341 S HN 2.054 nan 8.310 nan 0.000 0.448 342 V N -3.293 116.644 119.914 0.038 0.000 2.962 342 V HA 0.573 4.693 4.120 -0.000 0.000 0.313 342 V C -2.491 173.647 176.094 0.073 0.000 1.099 342 V CA -2.212 60.117 62.300 0.048 0.000 0.971 342 V CB 1.325 33.171 31.823 0.038 0.000 1.028 342 V HN -0.105 nan 8.190 nan 0.000 0.430 343 P HA 0.191 nan 4.420 nan 0.000 0.216 343 P C 0.301 177.727 177.300 0.210 0.000 1.150 343 P CA 2.180 65.366 63.100 0.143 0.000 0.837 343 P CB 0.179 31.962 31.700 0.138 0.000 0.786 344 A N -2.081 120.808 122.820 0.115 0.000 2.597 344 A HA 0.630 4.950 4.320 -0.000 0.000 0.292 344 A C -1.923 175.603 177.584 -0.096 0.000 1.057 344 A CA -0.564 51.451 52.037 -0.037 0.000 0.674 344 A CB 0.409 19.362 19.000 -0.078 0.000 1.278 344 A HN -0.058 nan 8.150 nan 0.000 0.416 345 L N 1.072 122.142 121.223 -0.254 0.000 2.362 345 L HA 0.617 4.957 4.340 -0.000 0.000 0.271 345 L C -1.043 175.628 176.870 -0.331 0.000 1.002 345 L CA -0.697 54.041 54.840 -0.170 0.000 0.818 345 L CB 2.243 44.224 42.059 -0.129 0.000 1.298 345 L HN 0.849 nan 8.230 nan 0.000 0.420 346 H N 0.975 119.982 119.070 -0.105 0.000 2.505 346 H HA 0.769 5.324 4.556 -0.000 0.000 0.338 346 H C 0.155 175.422 175.328 -0.103 0.000 1.057 346 H CA -0.167 55.820 56.048 -0.102 0.000 1.202 346 H CB 2.022 31.730 29.762 -0.091 0.000 1.466 346 H HN 0.754 nan 8.280 nan 0.000 0.499 347 G N 0.572 109.349 108.800 -0.040 0.000 2.772 347 G HA2 0.439 4.399 3.960 -0.000 0.000 0.284 347 G HA3 0.439 4.399 3.960 -0.000 0.000 0.284 347 G C -0.316 174.426 174.900 -0.264 0.000 1.217 347 G CA -0.305 44.726 45.100 -0.115 0.000 0.831 347 G HN 0.673 nan 8.290 nan 0.000 0.523 348 G N 0.020 108.545 108.800 -0.458 0.000 4.637 348 G HA2 0.298 4.258 3.960 -0.000 0.000 0.294 348 G HA3 0.298 4.258 3.960 -0.000 0.000 0.294 348 G C 0.281 174.570 174.900 -1.018 0.000 1.215 348 G CA -0.145 44.313 45.100 -1.070 0.000 0.943 348 G HN 0.268 nan 8.290 nan 0.000 0.572 349 N N 0.877 119.186 118.700 -0.652 0.000 2.609 349 N HA -0.048 4.692 4.740 -0.000 0.000 0.190 349 N C 1.474 176.823 175.510 -0.268 0.000 1.157 349 N CA 0.344 53.179 53.050 -0.358 0.000 0.918 349 N CB -0.145 38.222 38.487 -0.200 0.000 0.978 349 N HN 0.626 nan 8.380 nan 0.000 0.448 350 F N -1.257 118.674 119.950 -0.032 0.000 2.789 350 F HA 0.337 4.864 4.527 -0.000 0.000 0.300 350 F C 0.800 176.595 175.800 -0.008 0.000 1.132 350 F CA -0.814 57.172 58.000 -0.024 0.000 1.404 350 F CB -0.755 38.229 39.000 -0.027 0.000 1.114 350 F HN -0.167 nan 8.300 nan 0.000 0.584 351 M N 2.744 122.342 119.600 -0.004 0.000 2.429 351 M HA 0.360 4.840 4.480 -0.000 0.000 0.334 351 M C 0.983 177.334 176.300 0.085 0.000 1.560 351 M CA -0.542 54.825 55.300 0.111 0.000 1.291 351 M CB 0.117 32.702 32.600 -0.025 0.000 1.754 351 M HN 0.236 nan 8.290 nan 0.000 0.456 352 G N 3.406 112.271 108.800 0.110 0.000 3.452 352 G HA2 0.018 3.978 3.960 -0.000 0.000 0.258 352 G HA3 0.018 3.978 3.960 -0.000 0.000 0.258 352 G C 0.705 175.642 174.900 0.062 0.000 1.305 352 G CA -0.178 44.969 45.100 0.079 0.000 1.514 352 G HN 0.805 nan 8.290 nan 0.000 0.593 353 Q N 0.031 119.865 119.800 0.056 0.000 2.167 353 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 353 Q C 1.930 177.897 176.000 -0.055 0.000 0.970 353 Q CA 1.465 57.265 55.803 -0.005 0.000 0.855 353 Q CB -0.132 28.579 28.738 -0.045 0.000 0.911 353 Q HN 0.725 nan 8.270 nan 0.000 0.438 354 H N -1.772 117.276 119.070 -0.037 0.000 2.326 354 H HA -0.052 4.504 4.556 -0.000 0.000 0.301 354 H C 1.797 177.043 175.328 -0.136 0.000 1.081 354 H CA 1.698 57.697 56.048 -0.083 0.000 1.334 354 H CB 0.049 29.749 29.762 -0.103 0.000 1.385 354 H HN 0.066 nan 8.280 nan 0.000 0.504 355 V N 0.441 120.361 119.914 0.010 0.000 2.548 355 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 355 V C 2.473 178.554 176.094 -0.022 0.000 1.055 355 V CA 1.382 63.649 62.300 -0.055 0.000 1.065 355 V CB -0.847 30.957 31.823 -0.031 0.000 0.681 355 V HN 0.564 nan 8.190 nan 0.000 0.462 356 A N -0.017 122.805 122.820 0.003 0.000 1.877 356 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 356 A C 2.199 179.798 177.584 0.025 0.000 1.186 356 A CA 1.714 53.763 52.037 0.021 0.000 0.620 356 A CB -0.485 18.530 19.000 0.025 0.000 0.822 356 A HN 0.483 nan 8.150 nan 0.000 0.443 357 L N -0.132 121.095 121.223 0.007 0.000 2.056 357 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 357 L C 3.004 179.924 176.870 0.083 0.000 1.078 357 L CA 1.802 56.677 54.840 0.059 0.000 0.749 357 L CB -0.946 41.162 42.059 0.081 0.000 0.901 357 L HN 0.659 nan 8.230 nan 0.000 0.433 358 T N -4.499 110.002 114.554 -0.088 0.000 2.821 358 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 358 T C 2.036 176.817 174.700 0.135 0.000 1.046 358 T CA 1.294 63.291 62.100 -0.171 0.000 1.139 358 T CB -0.262 68.284 68.868 -0.536 0.000 0.871 358 T HN 0.113 nan 8.240 nan 0.000 0.454 359 S N 1.573 117.345 115.700 0.121 0.000 2.368 359 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 359 S C 1.867 176.533 174.600 0.110 0.000 1.029 359 S CA 1.227 59.522 58.200 0.158 0.000 0.988 359 S CB -0.546 62.721 63.200 0.112 0.000 0.838 359 S HN 0.523 nan 8.310 nan 0.000 0.462 360 D N 1.541 121.999 120.400 0.096 0.000 2.117 360 D HA 0.014 4.654 4.640 -0.000 0.000 0.198 360 D C 2.112 178.468 176.300 0.094 0.000 0.982 360 D CA 1.164 55.214 54.000 0.083 0.000 0.828 360 D CB -0.400 40.443 40.800 0.072 0.000 0.967 360 D HN 0.374 nan 8.370 nan 0.000 0.464 361 A N 0.704 123.615 122.820 0.152 0.000 1.898 361 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 361 A C 2.143 179.800 177.584 0.122 0.000 1.181 361 A CA 0.902 53.045 52.037 0.177 0.000 0.620 361 A CB -0.664 18.559 19.000 0.371 0.000 0.819 361 A HN 0.239 nan 8.150 nan 0.000 0.442 362 L N -0.135 121.158 121.223 0.117 0.000 2.046 362 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 362 L C 2.642 179.504 176.870 -0.014 0.000 1.077 362 L CA 2.134 56.989 54.840 0.027 0.000 0.747 362 L CB -0.834 41.173 42.059 -0.088 0.000 0.896 362 L HN 0.340 nan 8.230 nan 0.000 0.432 363 A N -1.618 121.207 122.820 0.008 0.000 1.940 363 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 363 A C 2.266 179.828 177.584 -0.036 0.000 1.176 363 A CA 2.343 54.376 52.037 -0.007 0.000 0.631 363 A CB -1.189 17.824 19.000 0.021 0.000 0.814 363 A HN 0.520 nan 8.150 nan 0.000 0.446 364 T N 0.092 114.634 114.554 -0.020 0.000 2.777 364 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 364 T C 2.237 176.884 174.700 -0.088 0.000 1.040 364 T CA 1.472 63.548 62.100 -0.040 0.000 1.141 364 T CB -0.411 68.448 68.868 -0.015 0.000 0.868 364 T HN 0.599 nan 8.240 nan 0.000 0.444 365 A N 0.935 123.703 122.820 -0.086 0.000 1.933 365 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 365 A C 2.561 179.977 177.584 -0.280 0.000 1.175 365 A CA 1.227 53.181 52.037 -0.140 0.000 0.628 365 A CB -0.976 17.977 19.000 -0.077 0.000 0.814 365 A HN 0.352 nan 8.150 nan 0.000 0.444 366 V N -0.297 119.441 119.914 -0.294 0.000 2.343 366 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 366 V C 2.729 178.501 176.094 -0.537 0.000 1.051 366 V CA 2.438 64.419 62.300 -0.531 0.000 1.036 366 V CB -1.127 30.553 31.823 -0.238 0.000 0.654 366 V HN 0.609 nan 8.190 nan 0.000 0.451 367 T N -0.230 114.155 114.554 -0.281 0.000 2.821 367 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 367 T C 1.947 176.513 174.700 -0.224 0.000 1.046 367 T CA 1.503 63.480 62.100 -0.205 0.000 1.139 367 T CB -0.141 68.663 68.868 -0.106 0.000 0.871 367 T HN 0.276 nan 8.240 nan 0.000 0.454 368 V N 1.232 121.013 119.914 -0.223 0.000 2.295 368 V HA -0.104 4.016 4.120 -0.000 0.000 0.246 368 V C 2.395 178.347 176.094 -0.236 0.000 1.049 368 V CA 1.358 63.547 62.300 -0.186 0.000 1.024 368 V CB -0.556 31.173 31.823 -0.157 0.000 0.648 368 V HN 0.320 nan 8.190 nan 0.000 0.447 369 L N 0.340 121.327 121.223 -0.392 0.000 2.093 369 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 369 L C 2.561 179.213 176.870 -0.363 0.000 1.085 369 L CA 2.083 56.678 54.840 -0.408 0.000 0.755 369 L CB -1.191 40.496 42.059 -0.621 0.000 0.904 369 L HN 0.284 nan 8.230 nan 0.000 0.435 370 A N -0.514 121.949 122.820 -0.595 0.000 1.972 370 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 370 A C 2.421 179.979 177.584 -0.044 0.000 1.169 370 A CA 1.512 53.403 52.037 -0.244 0.000 0.635 370 A CB -1.206 17.670 19.000 -0.206 0.000 0.810 370 A HN 0.427 nan 8.150 nan 0.000 0.446 371 G N -0.176 108.569 108.800 -0.091 0.000 2.408 371 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 371 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 371 G C 1.460 176.361 174.900 0.002 0.000 1.150 371 G CA 1.130 46.210 45.100 -0.032 0.000 0.776 371 G HN 0.494 nan 8.290 nan 0.000 0.542 372 L N 1.455 122.674 121.223 -0.007 0.000 2.017 372 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 372 L C 3.022 179.935 176.870 0.073 0.000 1.073 372 L CA 2.274 57.133 54.840 0.031 0.000 0.745 372 L CB -0.824 41.246 42.059 0.018 0.000 0.894 372 L HN 0.214 nan 8.230 nan 0.000 0.432 373 A N -0.842 122.047 122.820 0.115 0.000 1.908 373 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 373 A C 2.327 179.972 177.584 0.102 0.000 1.181 373 A CA 1.766 53.892 52.037 0.148 0.000 0.627 373 A CB -0.798 18.354 19.000 0.254 0.000 0.818 373 A HN 0.596 nan 8.150 nan 0.000 0.445 374 E N -0.058 120.195 120.200 0.088 0.000 2.077 374 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 374 E C 2.048 178.681 176.600 0.056 0.000 0.989 374 E CA 0.896 57.336 56.400 0.068 0.000 0.800 374 E CB -0.205 29.528 29.700 0.055 0.000 0.746 374 E HN 0.387 nan 8.360 nan 0.000 0.452 375 R N 0.277 120.807 120.500 0.051 0.000 2.148 375 R HA -0.025 4.315 4.340 -0.000 0.000 0.223 375 R C 2.347 178.676 176.300 0.048 0.000 1.088 375 R CA 0.750 56.877 56.100 0.045 0.000 0.985 375 R CB -0.341 29.983 30.300 0.041 0.000 0.880 375 R HN 0.396 nan 8.270 nan 0.000 0.451 376 Q N 0.011 119.846 119.800 0.058 0.000 2.119 376 Q HA -0.009 4.331 4.340 -0.000 0.000 0.201 376 Q C 2.144 178.167 176.000 0.039 0.000 0.972 376 Q CA 0.997 56.834 55.803 0.057 0.000 0.847 376 Q CB -0.025 28.758 28.738 0.074 0.000 0.903 376 Q HN 0.305 nan 8.270 nan 0.000 0.433 377 I N 0.579 121.173 120.570 0.040 0.000 2.202 377 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 377 I C 2.421 178.562 176.117 0.040 0.000 1.091 377 I CA 0.873 62.189 61.300 0.027 0.000 1.368 377 I CB -0.412 37.611 38.000 0.037 0.000 1.058 377 I HN 0.149 nan 8.210 nan 0.000 0.410 378 A N 0.832 123.683 122.820 0.051 0.000 1.940 378 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 378 A C 2.433 180.032 177.584 0.026 0.000 1.176 378 A CA 1.992 54.062 52.037 0.056 0.000 0.631 378 A CB -0.645 18.386 19.000 0.052 0.000 0.814 378 A HN 0.392 nan 8.150 nan 0.000 0.446 379 R N -1.014 119.495 120.500 0.016 0.000 2.062 379 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 379 R C 2.026 178.314 176.300 -0.019 0.000 1.125 379 R CA 1.374 57.473 56.100 -0.001 0.000 0.966 379 R CB -0.397 29.910 30.300 0.012 0.000 0.861 379 R HN 0.394 nan 8.270 nan 0.000 0.433 380 L N 1.150 122.366 121.223 -0.012 0.000 2.131 380 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 380 L C 1.971 178.809 176.870 -0.053 0.000 1.092 380 L CA 2.374 57.196 54.840 -0.029 0.000 0.759 380 L CB -0.418 41.623 42.059 -0.030 0.000 0.903 380 L HN 0.441 nan 8.230 nan 0.000 0.435 381 T N -4.405 110.120 114.554 -0.048 0.000 3.081 381 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 381 T C 0.750 175.241 174.700 -0.349 0.000 1.100 381 T CA -0.123 61.921 62.100 -0.094 0.000 1.038 381 T CB -0.432 68.509 68.868 0.121 0.000 0.962 381 T HN 0.233 nan 8.240 nan 0.000 0.516 382 D N 2.682 122.944 120.400 -0.230 0.000 2.339 382 D HA 0.068 4.708 4.640 -0.000 0.000 0.241 382 D C 1.325 177.501 176.300 -0.206 0.000 1.183 382 D CA -0.280 53.564 54.000 -0.260 0.000 0.859 382 D CB 1.225 41.955 40.800 -0.117 0.000 1.067 382 D HN 0.619 nan 8.370 nan 0.000 0.484 383 E N 3.248 123.299 120.200 -0.248 0.000 2.267 383 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 383 E C 1.023 177.573 176.600 -0.083 0.000 0.998 383 E CA 0.810 57.127 56.400 -0.139 0.000 0.830 383 E CB 0.079 29.711 29.700 -0.112 0.000 0.751 383 E HN 0.363 nan 8.360 nan 0.000 0.491 384 R N -0.033 120.420 120.500 -0.079 0.000 2.276 384 R HA 0.189 4.529 4.340 -0.000 0.000 0.196 384 R C 1.629 177.903 176.300 -0.043 0.000 0.961 384 R CA 0.489 56.559 56.100 -0.049 0.000 1.024 384 R CB 0.220 30.497 30.300 -0.038 0.000 0.940 384 R HN 0.271 nan 8.270 nan 0.000 0.480 385 L N -0.076 121.116 121.223 -0.052 0.000 2.878 385 L HA 0.134 4.474 4.340 -0.000 0.000 0.253 385 L C 0.472 177.319 176.870 -0.037 0.000 1.135 385 L CA -0.130 54.686 54.840 -0.039 0.000 0.943 385 L CB 0.274 42.312 42.059 -0.035 0.000 1.307 385 L HN 0.108 nan 8.230 nan 0.000 0.545 386 N N 0.837 119.508 118.700 -0.049 0.000 2.322 386 N HA -0.016 4.724 4.740 -0.000 0.000 0.216 386 N C 0.014 175.505 175.510 -0.031 0.000 1.144 386 N CA -0.358 52.668 53.050 -0.041 0.000 0.830 386 N CB -0.153 38.301 38.487 -0.055 0.000 1.034 386 N HN 0.047 nan 8.380 nan 0.000 0.484 387 R N -0.221 120.262 120.500 -0.028 0.000 3.092 387 R HA -0.171 4.168 4.340 -0.000 0.000 0.245 387 R C 0.830 177.117 176.300 -0.021 0.000 0.881 387 R CA 0.529 56.616 56.100 -0.023 0.000 0.614 387 R CB -2.042 28.247 30.300 -0.019 0.000 1.128 387 R HN 0.634 nan 8.270 nan 0.000 0.483 388 G N -0.855 107.932 108.800 -0.022 0.000 2.195 388 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.246 388 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.246 388 G C 0.274 175.162 174.900 -0.020 0.000 0.984 388 G CA 0.109 45.198 45.100 -0.018 0.000 0.633 388 G HN 0.297 nan 8.290 nan 0.000 0.525 389 L N 1.430 122.637 121.223 -0.027 0.000 2.418 389 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 389 L C -1.615 175.237 176.870 -0.031 0.000 1.143 389 L CA -2.062 52.761 54.840 -0.030 0.000 0.809 389 L CB 0.668 42.709 42.059 -0.031 0.000 1.124 389 L HN -0.095 nan 8.230 nan 0.000 0.456 390 P HA 0.039 nan 4.420 nan 0.000 0.267 390 P C -2.472 174.852 177.300 0.041 0.000 1.200 390 P CA -0.885 62.205 63.100 -0.017 0.000 0.772 390 P CB -0.176 31.392 31.700 -0.219 0.000 0.855 391 P HA -0.008 nan 4.420 nan 0.000 0.266 391 P C -0.255 177.099 177.300 0.090 0.000 1.215 391 P CA 0.356 63.404 63.100 -0.085 0.000 0.763 391 P CB -0.164 31.527 31.700 -0.015 0.000 0.806 392 F N 1.676 121.725 119.950 0.165 0.000 3.034 392 F HA -0.243 4.284 4.527 -0.000 0.000 0.286 392 F C 1.337 177.312 175.800 0.291 0.000 0.804 392 F CA 0.340 58.462 58.000 0.203 0.000 1.161 392 F CB -2.618 36.495 39.000 0.189 0.000 1.317 392 F HN 0.277 nan 8.300 nan 0.000 0.453 393 L N -1.715 119.670 121.223 0.271 0.000 3.843 393 L HA -0.315 4.025 4.340 -0.000 0.000 0.411 393 L C 1.324 178.349 176.870 0.259 0.000 1.205 393 L CA 1.031 56.004 54.840 0.222 0.000 0.945 393 L CB -2.059 40.132 42.059 0.220 0.000 1.929 393 L HN 0.702 nan 8.230 nan 0.000 0.934 394 H N 0.458 119.660 119.070 0.221 0.000 2.671 394 H HA 0.657 5.213 4.556 -0.000 0.000 0.372 394 H C 0.295 175.686 175.328 0.104 0.000 1.227 394 H CA -0.384 55.753 56.048 0.148 0.000 1.426 394 H CB 0.875 30.712 29.762 0.125 0.000 1.480 394 H HN 0.292 nan 8.280 nan 0.000 0.611 395 R N -0.339 120.179 120.500 0.031 0.000 2.888 395 R HA 0.475 4.815 4.340 -0.000 0.000 0.266 395 R C -0.252 176.151 176.300 0.171 0.000 1.020 395 R CA -0.245 55.847 56.100 -0.014 0.000 0.963 395 R CB 2.043 32.353 30.300 0.016 0.000 1.197 395 R HN 1.097 nan 8.270 nan 0.000 0.481 396 G N 1.261 110.131 108.800 0.117 0.000 2.741 396 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.222 396 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.222 396 G C -2.677 172.346 174.900 0.206 0.000 1.364 396 G CA -1.194 43.985 45.100 0.132 0.000 0.866 396 G HN 0.391 nan 8.290 nan 0.000 0.555 397 P HA 0.463 nan 4.420 nan 0.000 0.267 397 P C 0.324 177.643 177.300 0.031 0.000 1.205 397 P CA 0.804 63.962 63.100 0.098 0.000 0.765 397 P CB 0.779 32.505 31.700 0.043 0.000 0.828 398 A N 3.422 126.247 122.820 0.008 0.000 2.477 398 A HA 0.480 4.800 4.320 -0.000 0.000 0.246 398 A C 1.554 179.029 177.584 -0.182 0.000 1.078 398 A CA 0.847 52.703 52.037 -0.302 0.000 0.770 398 A CB -0.974 17.974 19.000 -0.087 0.000 1.011 398 A HN 0.814 nan 8.150 nan 0.000 0.494 399 G N 0.864 109.531 108.800 -0.222 0.000 2.729 399 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 399 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 399 G C 1.012 175.859 174.900 -0.087 0.000 1.252 399 G CA 0.701 45.738 45.100 -0.105 0.000 0.751 399 G HN 1.443 nan 8.290 nan 0.000 0.527 400 L N 1.854 123.033 121.223 -0.072 0.000 2.131 400 L HA 0.311 4.650 4.340 -0.000 0.000 0.210 400 L C 0.810 177.649 176.870 -0.052 0.000 1.092 400 L CA 1.626 56.439 54.840 -0.045 0.000 0.759 400 L CB -0.232 41.815 42.059 -0.021 0.000 0.903 400 L HN 0.456 nan 8.230 nan 0.000 0.435 401 N N -1.546 117.105 118.700 -0.082 0.000 2.321 401 N HA 0.250 4.990 4.740 -0.000 0.000 0.299 401 N C -0.032 175.409 175.510 -0.116 0.000 1.048 401 N CA -0.041 52.974 53.050 -0.058 0.000 0.836 401 N CB 1.982 40.494 38.487 0.041 0.000 1.269 401 N HN -0.099 nan 8.380 nan 0.000 0.486 402 S N 0.084 115.753 115.700 -0.051 0.000 2.603 402 S HA 0.243 4.713 4.470 -0.000 0.000 0.232 402 S C 1.274 175.912 174.600 0.063 0.000 1.016 402 S CA 0.021 58.199 58.200 -0.037 0.000 0.976 402 S CB 0.524 63.654 63.200 -0.118 0.000 0.921 402 S HN 0.923 nan 8.310 nan 0.000 0.516 403 G N 2.530 111.372 108.800 0.070 0.000 2.665 403 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.326 403 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.326 403 G C 0.274 175.093 174.900 -0.136 0.000 1.231 403 G CA 0.922 46.039 45.100 0.029 0.000 0.992 403 G HN 0.477 nan 8.290 nan 0.000 0.549 404 F N 1.314 121.349 119.950 0.141 0.000 2.664 404 F HA 0.474 5.001 4.527 -0.000 0.000 0.301 404 F C 2.393 178.217 175.800 0.040 0.000 1.126 404 F CA 0.876 58.933 58.000 0.095 0.000 1.373 404 F CB 0.177 39.252 39.000 0.126 0.000 1.042 404 F HN 0.317 nan 8.300 nan 0.000 0.535 405 M N 0.015 119.608 119.600 -0.012 0.000 2.149 405 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 405 M C 2.363 178.532 176.300 -0.218 0.000 1.064 405 M CA 2.210 57.231 55.300 -0.464 0.000 1.102 405 M CB -0.428 31.634 32.600 -0.898 0.000 1.369 405 M HN 0.319 nan 8.290 nan 0.000 0.408 406 G N -0.795 107.934 108.800 -0.118 0.000 2.394 406 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 406 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 406 G C 1.485 176.387 174.900 0.002 0.000 1.176 406 G CA 0.723 45.783 45.100 -0.067 0.000 0.786 406 G HN 0.609 nan 8.290 nan 0.000 0.533 407 A N -0.017 122.840 122.820 0.062 0.000 1.978 407 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 407 A C 2.274 179.926 177.584 0.112 0.000 1.170 407 A CA 2.089 54.194 52.037 0.114 0.000 0.636 407 A CB -0.425 18.718 19.000 0.238 0.000 0.810 407 A HN 0.392 nan 8.150 nan 0.000 0.448 408 Q N 0.061 119.941 119.800 0.133 0.000 2.084 408 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 408 Q C 2.108 178.158 176.000 0.083 0.000 0.978 408 Q CA 2.074 57.955 55.803 0.130 0.000 0.844 408 Q CB -0.321 28.542 28.738 0.209 0.000 0.898 408 Q HN 0.433 nan 8.270 nan 0.000 0.426 409 V N 0.550 120.492 119.914 0.048 0.000 2.427 409 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 409 V C 2.374 178.486 176.094 0.030 0.000 1.051 409 V CA 2.017 64.335 62.300 0.030 0.000 1.048 409 V CB -0.840 30.982 31.823 -0.002 0.000 0.666 409 V HN 0.378 nan 8.190 nan 0.000 0.456 410 T N 0.453 115.025 114.554 0.030 0.000 2.720 410 T HA -0.181 4.168 4.350 -0.000 0.000 0.268 410 T C 2.066 176.789 174.700 0.037 0.000 1.037 410 T CA 1.637 63.754 62.100 0.029 0.000 1.144 410 T CB -0.383 68.502 68.868 0.029 0.000 0.864 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.176 124.025 122.820 0.048 0.000 1.902 411 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 411 A C 2.549 180.162 177.584 0.049 0.000 1.181 411 A CA 2.101 54.169 52.037 0.052 0.000 0.623 411 A CB -1.187 17.848 19.000 0.059 0.000 0.818 411 A HN 0.480 nan 8.150 nan 0.000 0.443 412 T N 0.243 114.825 114.554 0.046 0.000 2.746 412 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 412 T C 2.205 176.924 174.700 0.032 0.000 1.039 412 T CA 1.460 63.583 62.100 0.039 0.000 1.142 412 T CB -0.409 68.483 68.868 0.039 0.000 0.866 412 T HN 0.595 nan 8.240 nan 0.000 0.444 413 A N 1.294 124.131 122.820 0.029 0.000 1.902 413 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 413 A C 2.287 179.887 177.584 0.026 0.000 1.181 413 A CA 1.122 53.173 52.037 0.023 0.000 0.623 413 A CB -0.799 18.213 19.000 0.019 0.000 0.818 413 A HN 0.476 nan 8.150 nan 0.000 0.443 414 L N -1.148 120.095 121.223 0.033 0.000 2.046 414 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 414 L C 2.558 179.451 176.870 0.038 0.000 1.077 414 L CA 1.126 55.989 54.840 0.038 0.000 0.747 414 L CB -0.565 41.523 42.059 0.047 0.000 0.896 414 L HN 0.460 nan 8.230 nan 0.000 0.432 415 L N 0.332 121.577 121.223 0.038 0.000 2.027 415 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 415 L C 2.675 179.555 176.870 0.017 0.000 1.074 415 L CA 1.987 56.843 54.840 0.027 0.000 0.745 415 L CB -0.737 41.337 42.059 0.026 0.000 0.898 415 L HN 0.135 nan 8.230 nan 0.000 0.433 416 A N -0.804 122.027 122.820 0.018 0.000 1.908 416 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 416 A C 2.339 179.931 177.584 0.014 0.000 1.181 416 A CA 2.020 54.065 52.037 0.014 0.000 0.627 416 A CB -0.798 18.211 19.000 0.015 0.000 0.818 416 A HN 0.646 nan 8.150 nan 0.000 0.445 417 E N -0.727 119.484 120.200 0.017 0.000 2.072 417 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 417 E C 2.057 178.668 176.600 0.018 0.000 0.985 417 E CA 1.290 57.701 56.400 0.018 0.000 0.801 417 E CB -0.202 29.511 29.700 0.021 0.000 0.750 417 E HN 0.678 nan 8.360 nan 0.000 0.452 418 M N 0.004 119.616 119.600 0.019 0.000 2.108 418 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 418 M C 2.328 178.632 176.300 0.007 0.000 1.066 418 M CA 1.589 56.898 55.300 0.015 0.000 1.107 418 M CB -0.199 32.407 32.600 0.009 0.000 1.356 418 M HN 0.016 nan 8.290 nan 0.000 0.406 419 R N 0.063 120.564 120.500 0.003 0.000 2.193 419 R HA -0.038 4.302 4.340 -0.000 0.000 0.229 419 R C 2.234 178.539 176.300 0.008 0.000 1.110 419 R CA 1.106 57.207 56.100 0.001 0.000 0.988 419 R CB -0.458 29.841 30.300 -0.001 0.000 0.871 419 R HN 0.383 nan 8.270 nan 0.000 0.458 420 A N 0.568 123.394 122.820 0.011 0.000 2.015 420 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 420 A C 0.874 178.469 177.584 0.019 0.000 1.163 420 A CA 1.001 53.046 52.037 0.014 0.000 0.646 420 A CB 0.031 19.038 19.000 0.012 0.000 0.806 420 A HN 0.123 nan 8.150 nan 0.000 0.448 421 T N 0.136 114.702 114.554 0.021 0.000 2.767 421 T HA 0.547 4.897 4.350 -0.000 0.000 0.284 421 T C 0.476 175.198 174.700 0.038 0.000 0.973 421 T CA 0.041 62.159 62.100 0.029 0.000 0.996 421 T CB 1.526 70.411 68.868 0.027 0.000 0.927 421 T HN 0.382 nan 8.240 nan 0.000 0.456 422 G N 3.029 111.865 108.800 0.059 0.000 2.828 422 G HA2 0.667 4.627 3.960 -0.000 0.000 0.244 422 G HA3 0.667 4.627 3.960 -0.000 0.000 0.244 422 G C -2.613 172.335 174.900 0.080 0.000 1.365 422 G CA -1.544 43.594 45.100 0.063 0.000 1.041 422 G HN 0.444 nan 8.290 nan 0.000 0.560 423 P HA 0.272 nan 4.420 nan 0.000 0.267 423 P C 0.295 177.659 177.300 0.106 0.000 1.200 423 P CA 0.371 63.506 63.100 0.059 0.000 0.772 423 P CB 1.334 33.044 31.700 0.015 0.000 0.855 424 A N 1.828 124.712 122.820 0.107 0.000 1.997 424 A HA -0.031 4.289 4.320 -0.000 0.000 0.212 424 A C 2.025 179.681 177.584 0.120 0.000 1.178 424 A CA 0.952 53.092 52.037 0.171 0.000 0.698 424 A CB -0.993 18.077 19.000 0.115 0.000 0.842 424 A HN 0.472 nan 8.150 nan 0.000 0.458 425 S N 0.648 116.373 115.700 0.041 0.000 2.419 425 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 425 S C 1.663 176.229 174.600 -0.055 0.000 1.019 425 S CA 1.524 59.728 58.200 0.007 0.000 0.982 425 S CB -0.688 62.516 63.200 0.006 0.000 0.789 425 S HN 0.789 nan 8.310 nan 0.000 0.490 426 I N -1.383 119.080 120.570 -0.178 0.000 3.444 426 I HA 0.068 4.238 4.170 -0.000 0.000 0.287 426 I C 0.715 176.617 176.117 -0.358 0.000 1.302 426 I CA 0.924 62.055 61.300 -0.281 0.000 1.368 426 I CB -0.335 37.446 38.000 -0.364 0.000 1.048 426 I HN 0.154 nan 8.210 nan 0.000 0.487 427 H N 1.203 120.284 119.070 0.018 0.000 2.524 427 H HA 0.316 4.871 4.556 -0.000 0.000 0.299 427 H C 0.621 175.960 175.328 0.019 0.000 1.074 427 H CA -0.235 55.823 56.048 0.018 0.000 1.115 427 H CB 0.104 29.877 29.762 0.018 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.239 116.984 115.700 0.075 0.000 2.552 428 S HA 0.194 4.664 4.470 -0.000 0.000 0.289 428 S C 0.279 174.917 174.600 0.063 0.000 1.304 428 S CA -0.209 58.029 58.200 0.064 0.000 1.063 428 S CB -0.006 63.217 63.200 0.038 0.000 0.848 428 S HN 0.296 nan 8.310 nan 0.000 0.499 429 I N 3.362 123.967 120.570 0.059 0.000 2.533 429 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 429 I C 0.058 176.200 176.117 0.043 0.000 1.056 429 I CA -0.636 60.694 61.300 0.050 0.000 1.057 429 I CB 2.129 40.159 38.000 0.050 0.000 1.240 429 I HN 0.571 nan 8.210 nan 0.000 0.423 430 S N 3.941 119.663 115.700 0.037 0.000 2.525 430 S HA 0.248 4.718 4.470 -0.000 0.000 0.285 430 S C -0.192 174.428 174.600 0.034 0.000 1.283 430 S CA 0.415 58.636 58.200 0.035 0.000 1.072 430 S CB 0.214 63.432 63.200 0.030 0.000 0.867 430 S HN 0.768 nan 8.310 nan 0.000 0.492 431 T N 3.139 117.715 114.554 0.036 0.000 2.654 431 T HA 0.419 4.769 4.350 -0.000 0.000 0.289 431 T C -0.312 174.410 174.700 0.036 0.000 1.062 431 T CA -0.134 61.986 62.100 0.034 0.000 1.041 431 T CB 0.813 69.702 68.868 0.036 0.000 1.417 431 T HN 0.902 nan 8.240 nan 0.000 0.510 432 N N 0.591 119.312 118.700 0.035 0.000 2.727 432 N HA -0.224 4.516 4.740 -0.000 0.000 0.251 432 N C 0.271 175.801 175.510 0.033 0.000 1.040 432 N CA 0.786 53.858 53.050 0.038 0.000 0.712 432 N CB -1.193 37.321 38.487 0.045 0.000 0.912 432 N HN 1.557 nan 8.380 nan 0.000 0.545 433 A N -0.664 122.171 122.820 0.026 0.000 2.822 433 A HA 0.016 4.335 4.320 -0.000 0.000 0.287 433 A C 1.332 178.932 177.584 0.026 0.000 1.479 433 A CA 2.031 54.082 52.037 0.022 0.000 0.779 433 A CB -2.280 16.731 19.000 0.019 0.000 1.022 433 A HN 2.253 nan 8.150 nan 0.000 0.532 434 A N -2.328 120.509 122.820 0.028 0.000 3.413 434 A HA -0.363 3.957 4.320 -0.000 0.000 0.268 434 A C 1.403 179.007 177.584 0.035 0.000 1.128 434 A CA 2.071 54.125 52.037 0.029 0.000 1.062 434 A CB -2.523 16.491 19.000 0.024 0.000 1.121 434 A HN 2.231 nan 8.150 nan 0.000 0.895 435 N N -0.019 118.705 118.700 0.039 0.000 2.142 435 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 435 N C 0.987 176.528 175.510 0.053 0.000 1.023 435 N CA 1.868 54.946 53.050 0.046 0.000 0.852 435 N CB -0.161 38.358 38.487 0.054 0.000 0.998 435 N HN 0.750 nan 8.380 nan 0.000 0.424 436 Q N 0.568 120.398 119.800 0.051 0.000 3.091 436 Q HA 0.067 4.407 4.340 -0.000 0.000 0.301 436 Q C -0.437 175.595 176.000 0.052 0.000 1.337 436 Q CA -0.286 55.552 55.803 0.058 0.000 1.083 436 Q CB 0.542 29.310 28.738 0.049 0.000 1.477 436 Q HN 0.509 nan 8.270 nan 0.000 0.537 437 D N -0.487 119.942 120.400 0.049 0.000 2.348 437 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 437 D C 0.690 177.014 176.300 0.041 0.000 0.970 437 D CA 0.437 54.461 54.000 0.040 0.000 0.889 437 D CB 0.066 40.886 40.800 0.033 0.000 0.912 437 D HN 0.210 nan 8.370 nan 0.000 0.524 438 V N -1.786 118.157 119.914 0.049 0.000 2.760 438 V HA 0.758 4.878 4.120 -0.000 0.000 0.309 438 V C -0.438 175.693 176.094 0.063 0.000 1.077 438 V CA -1.241 61.087 62.300 0.047 0.000 0.910 438 V CB 1.948 33.794 31.823 0.038 0.000 1.008 438 V HN 0.097 nan 8.190 nan 0.000 0.424 439 V N 1.022 120.971 119.914 0.059 0.000 2.925 439 V HA 0.764 4.884 4.120 -0.000 0.000 0.311 439 V C 1.056 177.186 176.094 0.061 0.000 1.104 439 V CA 0.278 62.620 62.300 0.069 0.000 0.954 439 V CB 1.412 33.273 31.823 0.063 0.000 1.022 439 V HN 1.313 nan 8.190 nan 0.000 0.427 440 S N 2.808 118.549 115.700 0.068 0.000 2.395 440 S HA 0.070 4.540 4.470 -0.000 0.000 0.225 440 S C 1.177 175.809 174.600 0.052 0.000 1.027 440 S CA 1.191 59.423 58.200 0.054 0.000 0.965 440 S CB -0.863 62.373 63.200 0.059 0.000 0.812 440 S HN 1.416 nan 8.310 nan 0.000 0.482 441 L N 0.249 121.507 121.223 0.058 0.000 4.232 441 L HA -0.196 4.143 4.340 -0.000 0.000 0.415 441 L C 1.525 178.427 176.870 0.054 0.000 1.168 441 L CA 0.023 54.898 54.840 0.058 0.000 0.966 441 L CB -2.298 39.805 42.059 0.073 0.000 2.052 441 L HN 0.528 nan 8.230 nan 0.000 0.887 442 G N -0.283 108.546 108.800 0.049 0.000 2.442 442 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 442 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 442 G C 1.275 176.201 174.900 0.043 0.000 1.141 442 G CA 1.453 46.579 45.100 0.044 0.000 0.763 442 G HN 0.475 nan 8.290 nan 0.000 0.554 443 T N 1.223 115.800 114.554 0.040 0.000 2.777 443 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 443 T C 2.374 177.097 174.700 0.038 0.000 1.040 443 T CA 0.914 63.035 62.100 0.034 0.000 1.141 443 T CB -0.103 68.781 68.868 0.027 0.000 0.868 443 T HN 0.274 nan 8.240 nan 0.000 0.444 444 I N 1.560 122.154 120.570 0.041 0.000 2.252 444 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 444 I C 3.005 179.153 176.117 0.051 0.000 1.102 444 I CA 0.990 62.316 61.300 0.043 0.000 1.385 444 I CB -0.525 37.503 38.000 0.047 0.000 1.064 444 I HN 0.204 nan 8.210 nan 0.000 0.414 445 A N 0.876 123.730 122.820 0.057 0.000 1.883 445 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 445 A C 2.543 180.165 177.584 0.064 0.000 1.186 445 A CA 2.113 54.187 52.037 0.062 0.000 0.624 445 A CB -0.926 18.110 19.000 0.061 0.000 0.822 445 A HN 0.437 nan 8.150 nan 0.000 0.444 446 A N -0.510 122.348 122.820 0.063 0.000 1.898 446 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 446 A C 2.249 179.872 177.584 0.065 0.000 1.181 446 A CA 1.512 53.594 52.037 0.074 0.000 0.620 446 A CB -0.441 18.602 19.000 0.070 0.000 0.819 446 A HN 0.553 nan 8.150 nan 0.000 0.442 447 R N -0.532 119.999 120.500 0.053 0.000 2.075 447 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 447 R C 2.020 178.349 176.300 0.049 0.000 1.126 447 R CA 1.366 57.494 56.100 0.047 0.000 0.963 447 R CB -0.468 29.853 30.300 0.036 0.000 0.858 447 R HN 0.506 nan 8.270 nan 0.000 0.435 448 L N -0.243 121.009 121.223 0.049 0.000 2.093 448 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 448 L C 2.778 179.678 176.870 0.050 0.000 1.085 448 L CA 0.831 55.699 54.840 0.047 0.000 0.755 448 L CB -0.551 41.537 42.059 0.049 0.000 0.904 448 L HN 0.384 nan 8.230 nan 0.000 0.435 449 C N 0.377 119.710 119.300 0.055 0.000 2.425 449 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 449 C C 3.108 178.137 174.990 0.065 0.000 1.280 449 C CA 0.937 59.987 59.018 0.053 0.000 1.744 449 C CB -0.576 27.196 27.740 0.053 0.000 1.989 449 C HN 0.499 nan 8.230 nan 0.000 0.491 450 R N 1.308 121.849 120.500 0.069 0.000 2.073 450 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 450 R C 2.110 178.458 176.300 0.079 0.000 1.134 450 R CA 2.116 58.262 56.100 0.078 0.000 0.952 450 R CB -0.866 29.478 30.300 0.073 0.000 0.850 450 R HN 0.526 nan 8.270 nan 0.000 0.433 451 E N 0.800 121.039 120.200 0.065 0.000 2.085 451 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 451 E C 1.880 178.524 176.600 0.074 0.000 0.994 451 E CA 1.419 57.856 56.400 0.062 0.000 0.801 451 E CB -0.140 29.589 29.700 0.048 0.000 0.743 451 E HN 0.439 nan 8.360 nan 0.000 0.453 452 K N 0.268 120.712 120.400 0.074 0.000 2.097 452 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 452 K C 2.297 178.987 176.600 0.150 0.000 1.050 452 K CA 0.775 57.111 56.287 0.082 0.000 0.938 452 K CB -0.116 32.410 32.500 0.044 0.000 0.718 452 K HN 0.094 nan 8.250 nan 0.000 0.442 453 I N 1.383 122.053 120.570 0.167 0.000 2.226 453 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 453 I C 1.553 177.788 176.117 0.196 0.000 1.100 453 I CA 1.161 62.612 61.300 0.252 0.000 1.374 453 I CB -0.224 37.891 38.000 0.192 0.000 1.057 453 I HN 0.139 nan 8.210 nan 0.000 0.413 454 D N 0.575 121.050 120.400 0.126 0.000 2.144 454 D HA -0.131 4.508 4.640 -0.000 0.000 0.199 454 D C 2.329 178.682 176.300 0.089 0.000 0.984 454 D CA 0.916 54.966 54.000 0.084 0.000 0.834 454 D CB -0.204 40.636 40.800 0.065 0.000 0.955 454 D HN 0.185 nan 8.370 nan 0.000 0.465 455 R N -0.129 120.441 120.500 0.116 0.000 2.075 455 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 455 R C 2.137 178.548 176.300 0.184 0.000 1.126 455 R CA 0.457 56.626 56.100 0.115 0.000 0.963 455 R CB -1.045 29.314 30.300 0.098 0.000 0.858 455 R HN 0.341 nan 8.270 nan 0.000 0.435 456 W N 1.969 123.270 121.300 0.003 0.000 2.363 456 W HA -0.090 4.570 4.660 -0.000 0.000 0.296 456 W C 2.089 178.601 176.519 -0.011 0.000 1.212 456 W CA 1.379 58.726 57.345 0.003 0.000 1.260 456 W CB -0.601 28.868 29.460 0.015 0.000 1.131 456 W HN 0.139 nan 8.180 nan 0.000 0.530 457 A N 0.135 122.954 122.820 -0.003 0.000 1.933 457 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 457 A C 1.869 179.369 177.584 -0.141 0.000 1.175 457 A CA 1.969 53.893 52.037 -0.189 0.000 0.628 457 A CB -0.760 18.156 19.000 -0.140 0.000 0.814 457 A HN 0.452 nan 8.150 nan 0.000 0.444 458 E N -0.405 119.770 120.200 -0.042 0.000 2.106 458 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 458 E C 1.828 178.415 176.600 -0.022 0.000 0.984 458 E CA 1.093 57.471 56.400 -0.037 0.000 0.806 458 E CB -0.228 29.474 29.700 0.003 0.000 0.750 458 E HN 0.703 nan 8.360 nan 0.000 0.458 459 I N 0.772 121.364 120.570 0.037 0.000 2.252 459 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 459 I C 2.184 178.315 176.117 0.024 0.000 1.102 459 I CA 0.915 62.255 61.300 0.067 0.000 1.385 459 I CB -0.124 37.972 38.000 0.160 0.000 1.064 459 I HN 0.110 nan 8.210 nan 0.000 0.414 460 L N 0.448 121.654 121.223 -0.027 0.000 2.131 460 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 460 L C 2.811 179.579 176.870 -0.170 0.000 1.092 460 L CA 1.197 55.977 54.840 -0.100 0.000 0.759 460 L CB -0.653 41.250 42.059 -0.259 0.000 0.903 460 L HN 0.241 nan 8.230 nan 0.000 0.435 461 A N 0.291 122.982 122.820 -0.215 0.000 1.898 461 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 461 A C 2.204 179.677 177.584 -0.185 0.000 1.181 461 A CA 1.404 53.282 52.037 -0.265 0.000 0.620 461 A CB -0.579 18.269 19.000 -0.253 0.000 0.819 461 A HN 0.344 nan 8.150 nan 0.000 0.442 462 I N -0.835 119.673 120.570 -0.103 0.000 2.226 462 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 462 I C 2.425 178.486 176.117 -0.094 0.000 1.100 462 I CA 1.157 62.425 61.300 -0.055 0.000 1.374 462 I CB -0.282 37.720 38.000 0.003 0.000 1.057 462 I HN 0.386 nan 8.210 nan 0.000 0.413 463 L N 1.288 122.469 121.223 -0.071 0.000 2.046 463 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 463 L C 2.565 179.384 176.870 -0.084 0.000 1.077 463 L CA 2.148 56.950 54.840 -0.064 0.000 0.747 463 L CB -0.849 41.212 42.059 0.003 0.000 0.896 463 L HN 0.189 nan 8.230 nan 0.000 0.432 464 A N -0.497 122.274 122.820 -0.082 0.000 1.908 464 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 464 A C 2.267 179.794 177.584 -0.095 0.000 1.181 464 A CA 2.074 54.079 52.037 -0.054 0.000 0.627 464 A CB -0.940 17.992 19.000 -0.114 0.000 0.818 464 A HN 0.512 nan 8.150 nan 0.000 0.445 465 L N -0.987 120.144 121.223 -0.153 0.000 2.093 465 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 465 L C 2.689 179.394 176.870 -0.275 0.000 1.085 465 L CA 1.090 55.862 54.840 -0.113 0.000 0.755 465 L CB -0.662 41.395 42.059 -0.003 0.000 0.904 465 L HN 0.490 nan 8.230 nan 0.000 0.435 466 C N -0.266 118.731 119.300 -0.506 0.000 2.446 466 C HA -0.115 4.344 4.460 -0.000 0.000 0.277 466 C C 2.739 177.526 174.990 -0.339 0.000 1.275 466 C CA 0.420 58.978 59.018 -0.765 0.000 1.727 466 C CB -0.677 26.724 27.740 -0.566 0.000 2.010 466 C HN 0.430 nan 8.230 nan 0.000 0.486 467 L N 0.902 122.023 121.223 -0.170 0.000 2.093 467 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 467 L C 2.861 179.717 176.870 -0.024 0.000 1.085 467 L CA 1.445 56.247 54.840 -0.063 0.000 0.755 467 L CB -0.695 41.362 42.059 -0.004 0.000 0.904 467 L HN 0.335 nan 8.230 nan 0.000 0.435 468 A N -0.280 122.533 122.820 -0.011 0.000 1.902 468 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 468 A C 2.209 179.820 177.584 0.045 0.000 1.181 468 A CA 2.022 54.083 52.037 0.039 0.000 0.623 468 A CB -0.533 18.509 19.000 0.070 0.000 0.818 468 A HN 0.422 nan 8.150 nan 0.000 0.443 469 Q N -0.376 119.447 119.800 0.039 0.000 2.079 469 Q HA -0.000 4.340 4.340 -0.000 0.000 0.200 469 Q C 2.059 178.084 176.000 0.041 0.000 0.974 469 Q CA 2.042 57.899 55.803 0.090 0.000 0.840 469 Q CB -0.507 28.359 28.738 0.214 0.000 0.898 469 Q HN 0.550 nan 8.270 nan 0.000 0.430 470 A N 0.399 123.212 122.820 -0.013 0.000 1.902 470 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 470 A C 2.301 179.888 177.584 0.005 0.000 1.181 470 A CA 1.792 53.822 52.037 -0.012 0.000 0.623 470 A CB -1.212 17.766 19.000 -0.037 0.000 0.818 470 A HN 0.545 nan 8.150 nan 0.000 0.443 471 A N -0.020 122.808 122.820 0.013 0.000 1.902 471 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 471 A C 1.911 179.510 177.584 0.024 0.000 1.181 471 A CA 1.674 53.724 52.037 0.022 0.000 0.623 471 A CB -0.550 18.469 19.000 0.031 0.000 0.818 471 A HN 0.651 nan 8.150 nan 0.000 0.443 472 E N -0.225 119.994 120.200 0.031 0.000 2.150 472 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 472 E C 1.903 178.516 176.600 0.021 0.000 0.985 472 E CA 0.899 57.318 56.400 0.031 0.000 0.814 472 E CB -0.257 29.469 29.700 0.042 0.000 0.752 472 E HN 0.612 nan 8.360 nan 0.000 0.466 473 L N 0.433 121.667 121.223 0.018 0.000 2.093 473 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 473 L C 2.632 179.502 176.870 0.000 0.000 1.085 473 L CA 0.873 55.716 54.840 0.004 0.000 0.755 473 L CB -0.125 41.932 42.059 -0.003 0.000 0.904 473 L HN 0.016 nan 8.230 nan 0.000 0.435 474 R N -0.309 120.194 120.500 0.003 0.000 2.080 474 R HA -0.035 4.305 4.340 -0.000 0.000 0.222 474 R C 1.800 178.104 176.300 0.006 0.000 1.107 474 R CA 1.587 57.689 56.100 0.002 0.000 0.980 474 R CB -0.375 29.927 30.300 0.003 0.000 0.879 474 R HN 0.336 nan 8.270 nan 0.000 0.439 475 C N 0.120 119.426 119.300 0.011 0.000 3.183 475 C HA 0.668 5.128 4.460 -0.000 0.000 0.285 475 C C 0.656 175.654 174.990 0.014 0.000 1.313 475 C CA -0.296 58.729 59.018 0.012 0.000 1.711 475 C CB -0.723 27.027 27.740 0.016 0.000 2.135 475 C HN 0.736 nan 8.230 nan 0.000 0.651 476 G N 1.653 110.461 108.800 0.014 0.000 2.746 476 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.685 476 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.685 476 G C 0.703 175.615 174.900 0.020 0.000 1.350 476 G CA 0.073 45.182 45.100 0.015 0.000 0.837 476 G HN 0.734 nan 8.290 nan 0.000 0.564 477 S N -0.793 114.919 115.700 0.020 0.000 2.419 477 S HA 0.049 4.519 4.470 -0.000 0.000 0.233 477 S C 2.428 177.042 174.600 0.024 0.000 1.016 477 S CA 1.948 60.162 58.200 0.024 0.000 0.974 477 S CB -0.267 62.947 63.200 0.023 0.000 0.786 477 S HN 2.183 nan 8.310 nan 0.000 0.492 478 G N 0.887 109.699 108.800 0.020 0.000 2.744 478 G HA2 0.326 4.286 3.960 -0.000 0.000 0.211 478 G HA3 0.326 4.286 3.960 -0.000 0.000 0.211 478 G C 0.559 175.471 174.900 0.020 0.000 1.143 478 G CA 0.026 45.137 45.100 0.019 0.000 0.788 478 G HN 0.621 nan 8.290 nan 0.000 0.534 479 L N 0.791 122.027 121.223 0.021 0.000 3.597 479 L HA -0.157 4.183 4.340 -0.000 0.000 0.440 479 L C 0.057 176.939 176.870 0.020 0.000 1.277 479 L CA 0.110 54.964 54.840 0.023 0.000 0.852 479 L CB -1.769 40.306 42.059 0.027 0.000 1.708 479 L HN 0.356 nan 8.230 nan 0.000 0.885 480 D N 1.194 121.604 120.400 0.017 0.000 2.487 480 D HA 0.236 4.876 4.640 -0.000 0.000 0.243 480 D C 1.362 177.671 176.300 0.015 0.000 1.154 480 D CA 1.564 55.573 54.000 0.015 0.000 0.876 480 D CB 1.018 41.825 40.800 0.012 0.000 1.161 480 D HN 0.548 nan 8.370 nan 0.000 0.478 481 G N 2.692 111.502 108.800 0.015 0.000 2.199 481 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 481 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 481 G C 0.461 175.373 174.900 0.019 0.000 0.982 481 G CA 0.248 45.358 45.100 0.016 0.000 0.632 481 G HN 0.589 nan 8.290 nan 0.000 0.529 482 V N 2.507 122.433 119.914 0.021 0.000 2.715 482 V HA 0.498 4.618 4.120 -0.000 0.000 0.299 482 V C 1.484 177.593 176.094 0.025 0.000 1.054 482 V CA 0.174 62.489 62.300 0.026 0.000 1.077 482 V CB 1.419 33.258 31.823 0.028 0.000 0.972 482 V HN 1.058 nan 8.190 nan 0.000 0.484 483 S N 4.770 120.488 115.700 0.030 0.000 2.576 483 S HA 0.135 4.605 4.470 -0.000 0.000 0.272 483 S C -1.724 172.888 174.600 0.021 0.000 1.352 483 S CA -0.656 57.560 58.200 0.027 0.000 1.021 483 S CB 0.514 63.735 63.200 0.035 0.000 0.887 483 S HN 0.578 nan 8.310 nan 0.000 0.542 484 P HA -0.059 nan 4.420 nan 0.000 0.215 484 P C 1.588 178.893 177.300 0.008 0.000 1.153 484 P CA 1.937 65.044 63.100 0.012 0.000 0.853 484 P CB -0.224 31.481 31.700 0.008 0.000 0.788 485 A N -0.345 122.478 122.820 0.004 0.000 1.898 485 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 485 A C 2.473 180.056 177.584 -0.002 0.000 1.181 485 A CA 1.957 53.989 52.037 -0.008 0.000 0.620 485 A CB -1.830 17.160 19.000 -0.017 0.000 0.819 485 A HN 0.269 nan 8.150 nan 0.000 0.442 486 G N -0.289 108.520 108.800 0.014 0.000 2.418 486 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 486 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 486 G C 1.685 176.604 174.900 0.031 0.000 1.158 486 G CA 1.096 46.212 45.100 0.026 0.000 0.771 486 G HN 0.557 nan 8.290 nan 0.000 0.545 487 K N 0.190 120.607 120.400 0.027 0.000 2.026 487 K HA -0.066 4.254 4.320 -0.000 0.000 0.208 487 K C 2.457 179.076 176.600 0.032 0.000 1.048 487 K CA 1.356 57.661 56.287 0.030 0.000 0.929 487 K CB -0.158 32.357 32.500 0.024 0.000 0.713 487 K HN 0.235 nan 8.250 nan 0.000 0.439 488 K N 1.338 121.752 120.400 0.023 0.000 2.063 488 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 488 K C 2.161 178.783 176.600 0.037 0.000 1.048 488 K CA 1.082 57.383 56.287 0.023 0.000 0.928 488 K CB -0.107 32.397 32.500 0.007 0.000 0.713 488 K HN 0.110 nan 8.250 nan 0.000 0.442 489 L N 0.537 121.780 121.223 0.033 0.000 2.027 489 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 489 L C 2.064 179.001 176.870 0.113 0.000 1.074 489 L CA 1.136 56.015 54.840 0.064 0.000 0.745 489 L CB -0.166 41.913 42.059 0.034 0.000 0.898 489 L HN 0.019 nan 8.230 nan 0.000 0.433 490 V N 0.028 119.996 119.914 0.090 0.000 2.343 490 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 490 V C 2.486 178.636 176.094 0.092 0.000 1.051 490 V CA 2.067 64.424 62.300 0.095 0.000 1.036 490 V CB -0.698 31.168 31.823 0.071 0.000 0.654 490 V HN 0.557 nan 8.190 nan 0.000 0.451 491 Q N -0.016 119.826 119.800 0.071 0.000 2.050 491 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 491 Q C 2.455 178.496 176.000 0.068 0.000 0.980 491 Q CA 1.821 57.660 55.803 0.060 0.000 0.840 491 Q CB -0.476 28.288 28.738 0.043 0.000 0.898 491 Q HN 0.668 nan 8.270 nan 0.000 0.424 492 A N 1.003 123.872 122.820 0.081 0.000 1.908 492 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 492 A C 2.097 179.749 177.584 0.114 0.000 1.181 492 A CA 1.197 53.287 52.037 0.089 0.000 0.627 492 A CB -0.724 18.345 19.000 0.116 0.000 0.818 492 A HN 0.286 nan 8.150 nan 0.000 0.445 493 L N -1.167 120.157 121.223 0.169 0.000 2.017 493 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 493 L C 2.698 179.708 176.870 0.233 0.000 1.073 493 L CA 1.059 56.049 54.840 0.251 0.000 0.745 493 L CB -0.463 41.733 42.059 0.227 0.000 0.894 493 L HN 0.262 nan 8.230 nan 0.000 0.432 494 R N 0.392 120.980 120.500 0.147 0.000 2.241 494 R HA -0.144 4.196 4.340 -0.000 0.000 0.224 494 R C 1.874 178.196 176.300 0.037 0.000 1.101 494 R CA 0.796 56.959 56.100 0.104 0.000 0.995 494 R CB -0.450 29.898 30.300 0.080 0.000 0.870 494 R HN 0.550 nan 8.270 nan 0.000 0.463 495 E N 0.011 120.220 120.200 0.015 0.000 2.150 495 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 495 E C 1.473 177.998 176.600 -0.125 0.000 0.985 495 E CA 0.810 57.187 56.400 -0.039 0.000 0.814 495 E CB 0.253 29.933 29.700 -0.033 0.000 0.752 495 E HN 0.249 nan 8.360 nan 0.000 0.466 496 Q N -1.192 118.477 119.800 -0.219 0.000 2.322 496 Q HA 0.136 4.476 4.340 -0.000 0.000 0.250 496 Q C -0.327 175.210 176.000 -0.772 0.000 0.853 496 Q CA 0.315 55.790 55.803 -0.547 0.000 0.951 496 Q CB 0.860 29.107 28.738 -0.819 0.000 1.114 496 Q HN 0.111 nan 8.270 nan 0.000 0.523 497 F N 2.099 122.044 119.950 -0.009 0.000 2.434 497 F HA 0.434 4.961 4.527 -0.000 0.000 0.355 497 F C -2.148 173.667 175.800 0.024 0.000 1.115 497 F CA -2.638 55.367 58.000 0.008 0.000 1.010 497 F CB 1.358 40.368 39.000 0.016 0.000 1.234 497 F HN -0.194 nan 8.300 nan 0.000 0.439 498 P HA 0.203 nan 4.420 nan 0.000 0.272 498 P C -2.488 174.885 177.300 0.121 0.000 1.230 498 P CA -1.081 62.077 63.100 0.095 0.000 0.788 498 P CB 0.129 31.860 31.700 0.051 0.000 0.949 499 P HA 0.063 nan 4.420 nan 0.000 0.270 499 P C -0.644 176.706 177.300 0.084 0.000 1.223 499 P CA -0.071 63.092 63.100 0.105 0.000 0.785 499 P CB 0.266 32.012 31.700 0.077 0.000 0.923 500 L N 2.364 123.642 121.223 0.092 0.000 2.389 500 L HA 0.140 4.480 4.340 -0.000 0.000 0.265 500 L C 0.979 177.860 176.870 0.019 0.000 1.167 500 L CA 0.571 55.415 54.840 0.007 0.000 1.045 500 L CB -0.776 41.209 42.059 -0.122 0.000 1.351 500 L HN 0.319 nan 8.230 nan 0.000 0.419 501 E N 0.844 121.056 120.200 0.020 0.000 2.216 501 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 501 E C 0.298 176.912 176.600 0.023 0.000 0.988 501 E CA 0.579 56.994 56.400 0.025 0.000 0.834 501 E CB 0.299 30.013 29.700 0.023 0.000 0.772 501 E HN 0.564 nan 8.360 nan 0.000 0.479 502 T N 0.195 114.751 114.554 0.004 0.000 2.894 502 T HA 0.119 4.469 4.350 -0.000 0.000 0.309 502 T C -1.759 172.921 174.700 -0.033 0.000 1.208 502 T CA -0.999 61.101 62.100 0.001 0.000 1.016 502 T CB 1.371 70.240 68.868 0.003 0.000 1.192 502 T HN -0.215 nan 8.240 nan 0.000 0.491 503 D N 2.780 123.156 120.400 -0.039 0.000 2.525 503 D HA 0.322 4.962 4.640 -0.000 0.000 0.235 503 D C 0.589 176.849 176.300 -0.068 0.000 1.137 503 D CA 0.708 54.664 54.000 -0.075 0.000 0.868 503 D CB 0.364 41.126 40.800 -0.063 0.000 1.180 503 D HN 0.680 nan 8.370 nan 0.000 0.465 504 R N 0.354 120.800 120.500 -0.089 0.000 2.692 504 R HA 0.609 4.949 4.340 -0.000 0.000 0.269 504 R C -3.144 173.116 176.300 -0.066 0.000 1.030 504 R CA -1.653 54.410 56.100 -0.062 0.000 0.882 504 R CB 0.244 30.517 30.300 -0.045 0.000 1.250 504 R HN 0.006 nan 8.270 nan 0.000 0.465 505 P HA 0.135 nan 4.420 nan 0.000 0.267 505 P C -0.338 176.949 177.300 -0.021 0.000 1.205 505 P CA -0.241 62.841 63.100 -0.030 0.000 0.765 505 P CB 0.580 32.271 31.700 -0.015 0.000 0.828 506 L N 1.626 122.837 121.223 -0.020 0.000 2.731 506 L HA 0.184 4.524 4.340 -0.000 0.000 0.240 506 L C 2.299 179.180 176.870 0.018 0.000 1.120 506 L CA 0.381 55.222 54.840 0.002 0.000 0.913 506 L CB -0.272 41.782 42.059 -0.007 0.000 1.213 506 L HN 0.531 nan 8.230 nan 0.000 0.515 507 G N 0.112 108.918 108.800 0.011 0.000 2.513 507 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 1.409 176.322 174.900 0.022 0.000 1.160 507 G CA 0.773 45.881 45.100 0.013 0.000 0.767 507 G HN 0.356 nan 8.290 nan 0.000 0.571 508 Q N -0.207 119.612 119.800 0.032 0.000 2.119 508 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 508 Q C 2.571 178.621 176.000 0.083 0.000 0.972 508 Q CA 1.312 57.143 55.803 0.046 0.000 0.847 508 Q CB -0.074 28.689 28.738 0.042 0.000 0.903 508 Q HN 0.629 nan 8.270 nan 0.000 0.433 509 E N 0.385 120.651 120.200 0.110 0.000 2.106 509 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 509 E C 1.932 178.541 176.600 0.014 0.000 0.984 509 E CA 0.765 57.286 56.400 0.203 0.000 0.806 509 E CB -0.011 29.832 29.700 0.237 0.000 0.750 509 E HN 0.338 nan 8.360 nan 0.000 0.458 510 I N 1.159 121.712 120.570 -0.029 0.000 2.163 510 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 510 I C 2.554 178.635 176.117 -0.060 0.000 1.085 510 I CA 1.093 62.345 61.300 -0.080 0.000 1.347 510 I CB -0.332 37.648 38.000 -0.032 0.000 1.044 510 I HN 0.100 nan 8.210 nan 0.000 0.408 511 A N 0.680 123.494 122.820 -0.009 0.000 1.902 511 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 511 A C 2.542 180.137 177.584 0.019 0.000 1.181 511 A CA 1.912 53.950 52.037 0.003 0.000 0.623 511 A CB -0.891 18.120 19.000 0.017 0.000 0.818 511 A HN 0.443 nan 8.150 nan 0.000 0.443 512 A N -0.619 122.240 122.820 0.065 0.000 1.902 512 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 512 A C 2.140 179.802 177.584 0.131 0.000 1.181 512 A CA 1.796 53.907 52.037 0.123 0.000 0.623 512 A CB -0.610 18.521 19.000 0.218 0.000 0.818 512 A HN 0.665 nan 8.150 nan 0.000 0.443 513 L N -0.294 120.954 121.223 0.041 0.000 2.056 513 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 513 L C 2.679 179.469 176.870 -0.134 0.000 1.078 513 L CA 2.054 56.831 54.840 -0.105 0.000 0.749 513 L CB -0.909 40.847 42.059 -0.505 0.000 0.901 513 L HN 0.347 nan 8.230 nan 0.000 0.433 514 A N -1.479 121.257 122.820 -0.139 0.000 1.908 514 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 514 A C 2.269 179.793 177.584 -0.101 0.000 1.181 514 A CA 2.432 54.379 52.037 -0.150 0.000 0.627 514 A CB -1.271 17.673 19.000 -0.095 0.000 0.818 514 A HN 0.510 nan 8.150 nan 0.000 0.445 515 T N -1.473 113.065 114.554 -0.027 0.000 2.788 515 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 515 T C 1.853 176.559 174.700 0.010 0.000 1.044 515 T CA 1.923 64.027 62.100 0.006 0.000 1.139 515 T CB -0.389 68.502 68.868 0.039 0.000 0.867 515 T HN 0.815 nan 8.240 nan 0.000 0.454 516 H N 1.072 120.099 119.070 -0.071 0.000 2.357 516 H HA 0.127 4.683 4.556 -0.000 0.000 0.301 516 H C 1.986 177.235 175.328 -0.132 0.000 1.082 516 H CA 1.163 57.172 56.048 -0.065 0.000 1.342 516 H CB -0.476 29.271 29.762 -0.025 0.000 1.389 516 H HN 0.243 nan 8.280 nan 0.000 0.511 517 L N -0.033 120.982 121.223 -0.346 0.000 2.131 517 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 517 L C 2.221 178.922 176.870 -0.281 0.000 1.092 517 L CA 0.923 55.418 54.840 -0.575 0.000 0.759 517 L CB -0.451 41.087 42.059 -0.868 0.000 0.903 517 L HN 0.327 nan 8.230 nan 0.000 0.435 518 L N -0.801 120.306 121.223 -0.193 0.000 2.376 518 L HA -0.141 4.199 4.340 -0.000 0.000 0.219 518 L C 2.190 179.038 176.870 -0.038 0.000 1.133 518 L CA 0.927 55.726 54.840 -0.069 0.000 0.816 518 L CB -0.188 41.862 42.059 -0.015 0.000 0.933 518 L HN 0.365 nan 8.230 nan 0.000 0.449 519 Q N -1.393 118.293 119.800 -0.189 0.000 2.316 519 Q HA 0.196 4.536 4.340 -0.000 0.000 0.235 519 Q C -0.108 175.486 176.000 -0.677 0.000 0.863 519 Q CA 0.088 55.747 55.803 -0.241 0.000 0.939 519 Q CB 1.011 29.706 28.738 -0.072 0.000 1.108 519 Q HN 0.447 nan 8.270 nan 0.000 0.522 520 Q N -0.113 119.242 119.800 -0.742 0.000 2.379 520 Q HA 0.472 4.812 4.340 -0.000 0.000 0.278 520 Q C -1.266 174.621 176.000 -0.188 0.000 1.068 520 Q CA -0.443 54.992 55.803 -0.613 0.000 0.816 520 Q CB 2.621 31.124 28.738 -0.393 0.000 1.387 520 Q HN -0.081 nan 8.270 nan 0.000 0.413 521 S N 2.113 117.774 115.700 -0.065 0.000 2.690 521 S HA 0.560 5.030 4.470 -0.000 0.000 0.291 521 S C -2.390 172.029 174.600 -0.301 0.000 1.138 521 S CA -1.163 56.966 58.200 -0.119 0.000 1.013 521 S CB 0.876 64.051 63.200 -0.042 0.000 1.053 521 S HN 0.422 nan 8.310 nan 0.000 0.539 522 P HA 0.283 nan 4.420 nan 0.000 0.279 522 P C -0.709 176.401 177.300 -0.317 0.000 1.318 522 P CA -0.167 62.557 63.100 -0.627 0.000 0.819 522 P CB 0.219 31.230 31.700 -1.147 0.000 0.927 523 V N 0.000 119.822 119.914 -0.153 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.243 62.300 -0.095 0.000 1.235 523 V CB 0.000 31.782 31.823 -0.068 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556