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 2o7b_1_G DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.179 nan 4.420 nan 0.000 0.268 9 P C -1.482 175.827 177.300 0.014 0.000 1.208 9 P CA -0.393 62.718 63.100 0.018 0.000 0.777 9 P CB 0.834 32.548 31.700 0.023 0.000 0.875 10 A N 1.607 124.434 122.820 0.011 0.000 2.371 10 A HA 0.547 4.867 4.320 -0.000 0.000 0.311 10 A C -0.910 176.677 177.584 0.005 0.000 1.068 10 A CA -0.614 51.427 52.037 0.006 0.000 0.744 10 A CB 1.192 20.195 19.000 0.005 0.000 1.239 10 A HN 0.332 nan 8.150 nan 0.000 0.435 11 V N 2.393 122.307 119.914 -0.000 0.000 2.383 11 V HA 0.286 4.406 4.120 -0.000 0.000 0.275 11 V C 0.318 176.409 176.094 -0.005 0.000 1.036 11 V CA -0.306 61.993 62.300 -0.002 0.000 0.889 11 V CB 1.216 33.033 31.823 -0.010 0.000 0.985 11 V HN 0.954 nan 8.190 nan 0.000 0.459 12 E N 4.639 124.839 120.200 -0.000 0.000 2.115 12 E HA 0.367 4.717 4.350 -0.000 0.000 0.282 12 E C -0.958 175.642 176.600 -0.001 0.000 0.987 12 E CA -0.796 55.604 56.400 -0.001 0.000 0.797 12 E CB 1.275 30.977 29.700 0.004 0.000 1.086 12 E HN 0.563 nan 8.360 nan 0.000 0.397 13 L N 5.408 126.627 121.223 -0.007 0.000 2.265 13 L HA 0.277 4.617 4.340 -0.000 0.000 0.288 13 L C -0.183 176.686 176.870 -0.002 0.000 1.058 13 L CA 0.468 55.302 54.840 -0.009 0.000 0.809 13 L CB 1.167 43.214 42.059 -0.020 0.000 1.179 13 L HN 0.729 nan 8.230 nan 0.000 0.429 14 D N 2.928 123.332 120.400 0.007 0.000 3.013 14 D HA 0.194 4.834 4.640 -0.000 0.000 0.235 14 D C 1.325 177.635 176.300 0.016 0.000 1.540 14 D CA 0.747 54.754 54.000 0.012 0.000 1.303 14 D CB 0.693 41.504 40.800 0.019 0.000 0.980 14 D HN 0.572 nan 8.370 nan 0.000 0.250 15 R N -1.796 118.725 120.500 0.036 0.000 2.243 15 R HA 0.202 4.542 4.340 -0.000 0.000 0.193 15 R C 0.138 176.486 176.300 0.079 0.000 0.933 15 R CA -0.123 56.005 56.100 0.047 0.000 1.105 15 R CB 0.603 30.933 30.300 0.051 0.000 1.169 15 R HN 0.237 nan 8.270 nan 0.000 0.599 16 H N 0.066 119.128 119.070 -0.013 0.000 2.538 16 H HA 0.534 5.090 4.556 -0.000 0.000 0.353 16 H C -1.467 173.854 175.328 -0.012 0.000 1.109 16 H CA -0.655 55.385 56.048 -0.014 0.000 1.192 16 H CB 1.485 31.239 29.762 -0.014 0.000 1.555 16 H HN -0.015 nan 8.280 nan 0.000 0.518 17 I N 4.412 124.665 120.570 -0.529 0.000 2.619 17 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 17 I C -1.163 174.692 176.117 -0.436 0.000 1.100 17 I CA -0.877 60.238 61.300 -0.308 0.000 1.043 17 I CB 1.479 39.376 38.000 -0.171 0.000 1.239 17 I HN 0.839 nan 8.210 nan 0.000 0.420 18 D N 6.066 126.366 120.400 -0.168 0.000 2.387 18 D HA 0.212 4.852 4.640 -0.000 0.000 0.251 18 D C 1.015 177.287 176.300 -0.047 0.000 1.141 18 D CA -0.565 53.392 54.000 -0.072 0.000 0.987 18 D CB 0.986 41.818 40.800 0.054 0.000 1.116 18 D HN 0.503 nan 8.370 nan 0.000 0.491 19 L N -0.352 120.867 121.223 -0.008 0.000 2.079 19 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 19 L C 1.499 178.404 176.870 0.059 0.000 1.081 19 L CA 1.409 56.263 54.840 0.022 0.000 0.752 19 L CB -0.485 41.600 42.059 0.043 0.000 0.896 19 L HN 0.439 nan 8.230 nan 0.000 0.433 20 D N -0.188 120.249 120.400 0.061 0.000 2.117 20 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 20 D C 2.345 178.685 176.300 0.067 0.000 0.982 20 D CA 1.091 55.143 54.000 0.087 0.000 0.828 20 D CB -0.127 40.716 40.800 0.073 0.000 0.967 20 D HN 0.398 nan 8.370 nan 0.000 0.464 21 Q N 0.317 120.137 119.800 0.033 0.000 2.084 21 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 21 Q C 2.229 178.225 176.000 -0.007 0.000 0.978 21 Q CA 1.380 57.191 55.803 0.012 0.000 0.844 21 Q CB -0.121 28.614 28.738 -0.005 0.000 0.898 21 Q HN 0.211 nan 8.270 nan 0.000 0.426 22 A N 0.873 123.684 122.820 -0.015 0.000 1.902 22 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 22 A C 1.957 179.516 177.584 -0.042 0.000 1.181 22 A CA 1.637 53.652 52.037 -0.036 0.000 0.623 22 A CB -0.831 18.146 19.000 -0.037 0.000 0.818 22 A HN 0.451 nan 8.150 nan 0.000 0.443 23 H N -0.071 118.942 119.070 -0.094 0.000 2.423 23 H HA 0.027 4.583 4.556 -0.000 0.000 0.297 23 H C 2.257 177.498 175.328 -0.145 0.000 1.075 23 H CA 1.418 57.369 56.048 -0.161 0.000 1.342 23 H CB -0.142 29.421 29.762 -0.331 0.000 1.395 23 H HN 0.413 nan 8.280 nan 0.000 0.530 24 A N 0.496 123.303 122.820 -0.021 0.000 1.902 24 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 24 A C 2.834 180.376 177.584 -0.071 0.000 1.181 24 A CA 1.691 53.720 52.037 -0.014 0.000 0.623 24 A CB -0.886 18.131 19.000 0.028 0.000 0.818 24 A HN 0.289 nan 8.150 nan 0.000 0.443 25 V N -0.280 119.583 119.914 -0.085 0.000 2.307 25 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 25 V C 3.065 179.060 176.094 -0.164 0.000 1.045 25 V CA 1.837 64.080 62.300 -0.095 0.000 1.024 25 V CB -1.239 30.534 31.823 -0.083 0.000 0.651 25 V HN 0.611 nan 8.190 nan 0.000 0.449 26 A N 0.819 123.499 122.820 -0.232 0.000 1.908 26 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 26 A C 2.398 179.757 177.584 -0.376 0.000 1.181 26 A CA 2.301 54.145 52.037 -0.322 0.000 0.627 26 A CB -0.698 18.114 19.000 -0.313 0.000 0.818 26 A HN 0.698 nan 8.150 nan 0.000 0.445 27 S N -2.006 113.496 115.700 -0.328 0.000 2.603 27 S HA 0.371 4.841 4.470 -0.000 0.000 0.220 27 S C 1.393 176.134 174.600 0.236 0.000 0.967 27 S CA 1.039 59.213 58.200 -0.044 0.000 0.920 27 S CB -0.300 62.785 63.200 -0.192 0.000 0.773 27 S HN 1.957 nan 8.310 nan 0.000 0.529 28 G N 0.342 109.199 108.800 0.094 0.000 2.159 28 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.256 28 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.256 28 G C 0.841 175.809 174.900 0.113 0.000 0.977 28 G CA 0.108 45.320 45.100 0.187 0.000 0.652 28 G HN 0.965 nan 8.290 nan 0.000 0.531 29 G N -0.413 108.428 108.800 0.068 0.000 2.572 29 G HA2 0.561 4.521 3.960 -0.000 0.000 0.216 29 G HA3 0.561 4.521 3.960 -0.000 0.000 0.216 29 G C 0.647 175.572 174.900 0.042 0.000 1.133 29 G CA 1.707 46.843 45.100 0.061 0.000 0.791 29 G HN 1.818 nan 8.290 nan 0.000 0.538 30 A N -0.371 122.463 122.820 0.024 0.000 2.475 30 A HA 0.789 5.109 4.320 -0.000 0.000 0.301 30 A C -0.243 177.344 177.584 0.004 0.000 1.059 30 A CA -0.833 51.213 52.037 0.015 0.000 0.710 30 A CB 1.547 20.553 19.000 0.009 0.000 1.288 30 A HN 0.206 nan 8.150 nan 0.000 0.408 31 R N 0.063 120.566 120.500 0.005 0.000 2.543 31 R HA 0.646 4.986 4.340 -0.000 0.000 0.268 31 R C -0.741 175.554 176.300 -0.010 0.000 1.067 31 R CA -0.373 55.727 56.100 -0.001 0.000 1.142 31 R CB 1.212 31.514 30.300 0.004 0.000 1.110 31 R HN 0.683 nan 8.270 nan 0.000 0.549 32 I N 0.874 121.435 120.570 -0.015 0.000 2.509 32 I HA 0.386 4.556 4.170 -0.000 0.000 0.293 32 I C -1.325 174.783 176.117 -0.015 0.000 1.020 32 I CA -0.884 60.404 61.300 -0.019 0.000 1.088 32 I CB 1.831 39.812 38.000 -0.031 0.000 1.267 32 I HN 0.199 nan 8.210 nan 0.000 0.430 33 V N 7.259 127.166 119.914 -0.012 0.000 2.789 33 V HA 0.411 4.531 4.120 -0.000 0.000 0.311 33 V C -0.687 175.400 176.094 -0.010 0.000 1.073 33 V CA -0.770 61.524 62.300 -0.010 0.000 0.921 33 V CB 1.925 33.745 31.823 -0.005 0.000 1.009 33 V HN 0.524 nan 8.190 nan 0.000 0.426 34 L N 3.821 125.037 121.223 -0.011 0.000 2.265 34 L HA 0.749 5.089 4.340 -0.000 0.000 0.288 34 L C 0.679 177.545 176.870 -0.006 0.000 1.058 34 L CA 0.238 55.072 54.840 -0.010 0.000 0.809 34 L CB 0.932 42.983 42.059 -0.012 0.000 1.179 34 L HN 0.868 nan 8.230 nan 0.000 0.429 35 A N 6.831 129.649 122.820 -0.004 0.000 2.445 35 A HA 0.366 4.686 4.320 -0.000 0.000 0.242 35 A C -1.595 175.988 177.584 -0.002 0.000 1.075 35 A CA -0.748 51.288 52.037 -0.001 0.000 0.777 35 A CB -0.370 18.632 19.000 0.003 0.000 1.013 35 A HN 0.788 nan 8.150 nan 0.000 0.493 36 P HA -0.189 nan 4.420 nan 0.000 0.216 36 P C -1.290 176.008 177.300 -0.002 0.000 1.157 36 P CA 2.178 65.277 63.100 -0.002 0.000 0.880 36 P CB -0.729 30.970 31.700 -0.001 0.000 0.791 37 P HA -0.132 nan 4.420 nan 0.000 0.218 37 P C 1.233 178.533 177.300 0.000 0.000 1.149 37 P CA 1.856 64.956 63.100 0.001 0.000 0.817 37 P CB -0.413 31.289 31.700 0.003 0.000 0.785 38 A N 0.581 123.400 122.820 -0.000 0.000 1.897 38 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 38 A C 2.553 180.134 177.584 -0.005 0.000 1.181 38 A CA 1.110 53.147 52.037 -0.001 0.000 0.620 38 A CB -1.202 17.797 19.000 -0.002 0.000 0.821 38 A HN 0.031 nan 8.150 nan 0.000 0.443 39 R N -0.134 120.362 120.500 -0.007 0.000 2.091 39 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 39 R C 1.238 177.531 176.300 -0.012 0.000 1.136 39 R CA 1.989 58.082 56.100 -0.012 0.000 0.959 39 R CB -0.370 29.924 30.300 -0.011 0.000 0.856 39 R HN 0.443 nan 8.270 nan 0.000 0.437 40 D N 0.005 120.400 120.400 -0.008 0.000 2.144 40 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 40 D C 2.058 178.354 176.300 -0.007 0.000 0.978 40 D CA 0.981 54.977 54.000 -0.008 0.000 0.833 40 D CB -0.176 40.621 40.800 -0.005 0.000 0.961 40 D HN 0.283 nan 8.370 nan 0.000 0.470 41 R N 0.089 120.587 120.500 -0.003 0.000 2.096 41 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 41 R C 2.463 178.763 176.300 -0.001 0.000 1.127 41 R CA 0.920 57.020 56.100 0.002 0.000 0.968 41 R CB -0.437 29.867 30.300 0.006 0.000 0.861 41 R HN 0.224 nan 8.270 nan 0.000 0.440 42 C N -0.096 119.200 119.300 -0.006 0.000 2.446 42 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 42 C C 2.570 177.544 174.990 -0.027 0.000 1.275 42 C CA 0.448 59.459 59.018 -0.012 0.000 1.727 42 C CB -0.767 26.962 27.740 -0.017 0.000 2.010 42 C HN 0.460 nan 8.230 nan 0.000 0.486 43 R N 1.113 121.596 120.500 -0.028 0.000 2.081 43 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 43 R C 2.374 178.654 176.300 -0.034 0.000 1.131 43 R CA 1.637 57.715 56.100 -0.037 0.000 0.960 43 R CB -0.460 29.823 30.300 -0.028 0.000 0.856 43 R HN 0.556 nan 8.270 nan 0.000 0.436 44 A N 0.121 122.928 122.820 -0.022 0.000 1.902 44 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 44 A C 2.174 179.743 177.584 -0.025 0.000 1.181 44 A CA 1.801 53.828 52.037 -0.018 0.000 0.623 44 A CB -0.561 18.436 19.000 -0.005 0.000 0.818 44 A HN 0.300 nan 8.150 nan 0.000 0.443 45 S N -0.798 114.891 115.700 -0.020 0.000 2.383 45 S HA -0.190 4.280 4.470 -0.000 0.000 0.227 45 S C 2.019 176.563 174.600 -0.094 0.000 1.026 45 S CA 1.539 59.725 58.200 -0.024 0.000 0.981 45 S CB -0.330 62.884 63.200 0.023 0.000 0.818 45 S HN 0.681 nan 8.310 nan 0.000 0.472 46 E N 0.397 120.547 120.200 -0.084 0.000 2.085 46 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 46 E C 2.048 178.581 176.600 -0.112 0.000 0.994 46 E CA 1.131 57.465 56.400 -0.111 0.000 0.801 46 E CB -0.370 29.266 29.700 -0.107 0.000 0.743 46 E HN 0.603 nan 8.360 nan 0.000 0.453 47 A N 1.165 123.937 122.820 -0.081 0.000 1.930 47 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 47 A C 2.140 179.671 177.584 -0.088 0.000 1.175 47 A CA 1.214 53.213 52.037 -0.063 0.000 0.627 47 A CB -0.370 18.607 19.000 -0.038 0.000 0.815 47 A HN 0.178 nan 8.150 nan 0.000 0.443 48 R N -1.125 119.308 120.500 -0.112 0.000 2.092 48 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 48 R C 2.086 178.224 176.300 -0.270 0.000 1.119 48 R CA 1.328 57.349 56.100 -0.132 0.000 0.970 48 R CB -0.558 29.693 30.300 -0.080 0.000 0.864 48 R HN 0.497 nan 8.270 nan 0.000 0.440 49 L N 0.634 121.596 121.223 -0.436 0.000 2.046 49 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 49 L C 2.106 178.825 176.870 -0.251 0.000 1.077 49 L CA 2.112 56.603 54.840 -0.582 0.000 0.747 49 L CB -0.995 40.745 42.059 -0.533 0.000 0.896 49 L HN 0.155 nan 8.230 nan 0.000 0.432 50 G N -1.047 107.664 108.800 -0.148 0.000 2.422 50 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 50 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 50 G C 1.581 176.449 174.900 -0.053 0.000 1.146 50 G CA 0.798 45.859 45.100 -0.066 0.000 0.769 50 G HN 0.651 nan 8.290 nan 0.000 0.547 51 A N 0.001 122.785 122.820 -0.060 0.000 1.930 51 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 51 A C 2.569 180.145 177.584 -0.014 0.000 1.175 51 A CA 1.568 53.588 52.037 -0.029 0.000 0.627 51 A CB -0.498 18.489 19.000 -0.022 0.000 0.815 51 A HN 0.235 nan 8.150 nan 0.000 0.443 52 V N 0.258 120.153 119.914 -0.031 0.000 2.343 52 V HA -0.261 3.858 4.120 -0.000 0.000 0.247 52 V C 2.398 178.513 176.094 0.033 0.000 1.051 52 V CA 2.039 64.354 62.300 0.025 0.000 1.036 52 V CB -0.562 31.287 31.823 0.043 0.000 0.654 52 V HN 0.579 nan 8.190 nan 0.000 0.451 53 I N -0.633 119.938 120.570 0.003 0.000 2.233 53 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 53 I C 2.716 178.839 176.117 0.010 0.000 1.093 53 I CA 1.509 62.816 61.300 0.013 0.000 1.380 53 I CB -0.457 37.541 38.000 -0.002 0.000 1.067 53 I HN 0.182 nan 8.210 nan 0.000 0.413 54 R N 1.169 121.670 120.500 0.002 0.000 2.105 54 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 54 R C 1.779 178.085 176.300 0.010 0.000 1.135 54 R CA 1.702 57.804 56.100 0.002 0.000 0.967 54 R CB -0.034 30.265 30.300 -0.002 0.000 0.861 54 R HN 0.409 nan 8.270 nan 0.000 0.442 55 E N -0.849 119.362 120.200 0.018 0.000 2.478 55 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 55 E C 0.282 176.902 176.600 0.033 0.000 1.045 55 E CA 0.416 56.832 56.400 0.026 0.000 0.868 55 E CB 0.527 30.247 29.700 0.033 0.000 0.885 55 E HN 0.439 nan 8.360 nan 0.000 0.505 56 A N 1.905 124.746 122.820 0.035 0.000 2.822 56 A HA -0.226 4.094 4.320 -0.000 0.000 0.287 56 A C 0.001 177.623 177.584 0.063 0.000 1.479 56 A CA 0.529 52.589 52.037 0.038 0.000 0.779 56 A CB -1.380 17.631 19.000 0.019 0.000 1.022 56 A HN 0.120 nan 8.150 nan 0.000 0.532 57 R N 0.130 120.685 120.500 0.092 0.000 2.590 57 R HA 0.121 4.461 4.340 -0.000 0.000 0.274 57 R C 0.509 176.923 176.300 0.190 0.000 1.061 57 R CA -0.110 56.070 56.100 0.133 0.000 1.081 57 R CB 0.097 30.486 30.300 0.148 0.000 0.984 57 R HN 0.714 nan 8.270 nan 0.000 0.448 58 H N 1.832 120.943 119.070 0.068 0.000 3.160 58 H HA 0.201 4.757 4.556 0.000 0.000 0.257 58 H C -0.900 174.497 175.328 0.114 0.000 1.140 58 H CA -0.364 55.715 56.048 0.052 0.000 1.492 58 H CB 0.197 29.963 29.762 0.006 0.000 1.529 58 H HN 0.048 nan 8.280 nan 0.000 0.490 59 V N 6.556 126.672 119.914 0.337 0.000 2.577 59 V HA -0.003 4.117 4.120 -0.000 0.000 0.303 59 V C -0.700 175.617 176.094 0.372 0.000 1.042 59 V CA -0.988 61.542 62.300 0.383 0.000 0.872 59 V CB 1.201 33.239 31.823 0.358 0.000 0.998 59 V HN 0.660 nan 8.190 nan 0.000 0.423 60 Y N 3.975 124.513 120.300 0.397 0.000 2.895 60 Y HA 0.315 4.865 4.550 -0.000 0.000 0.334 60 Y C 1.404 177.385 175.900 0.134 0.000 1.261 60 Y CA 1.978 60.200 58.100 0.203 0.000 1.560 60 Y CB 0.488 39.117 38.460 0.282 0.000 1.253 60 Y HN 1.062 nan 8.280 nan 0.000 0.582 61 G N 3.971 112.450 108.800 -0.534 0.000 2.267 61 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 61 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 61 G C 0.657 175.515 174.900 -0.071 0.000 0.998 61 G CA 0.600 45.513 45.100 -0.311 0.000 0.620 61 G HN 0.673 nan 8.290 nan 0.000 0.529 62 L N 0.064 121.286 121.223 -0.003 0.000 2.609 62 L HA 0.303 4.643 4.340 -0.000 0.000 0.230 62 L C 2.139 179.015 176.870 0.009 0.000 1.064 62 L CA 1.532 56.400 54.840 0.047 0.000 0.873 62 L CB 0.570 42.706 42.059 0.127 0.000 1.139 62 L HN 0.475 nan 8.230 nan 0.000 0.490 63 T N -4.251 110.302 114.554 -0.002 0.000 3.328 63 T HA 0.169 4.519 4.350 -0.000 0.000 0.305 63 T C 0.272 174.933 174.700 -0.066 0.000 0.939 63 T CA 0.156 62.246 62.100 -0.017 0.000 0.950 63 T CB 0.070 68.960 68.868 0.036 0.000 1.182 63 T HN 0.153 nan 8.240 nan 0.000 0.545 64 T N -1.762 112.698 114.554 -0.157 0.000 2.864 64 T HA 0.782 5.132 4.350 -0.000 0.000 0.299 64 T C 0.618 175.015 174.700 -0.506 0.000 1.166 64 T CA -0.259 61.712 62.100 -0.215 0.000 1.007 64 T CB 1.446 70.273 68.868 -0.068 0.000 1.219 64 T HN 0.300 nan 8.240 nan 0.000 0.506 65 G N -0.065 108.495 108.800 -0.400 0.000 2.516 65 G HA2 0.560 4.520 3.960 -0.000 0.000 0.276 65 G HA3 0.560 4.520 3.960 -0.000 0.000 0.276 65 G C -1.073 173.363 174.900 -0.774 0.000 1.390 65 G CA -0.770 44.026 45.100 -0.508 0.000 1.050 65 G HN 0.571 nan 8.290 nan 0.000 0.519 66 F N -1.088 118.824 119.950 -0.063 0.000 2.538 66 F HA 0.609 5.136 4.527 0.000 0.000 0.325 66 F C 1.102 177.001 175.800 0.165 0.000 1.066 66 F CA 0.371 58.385 58.000 0.022 0.000 0.946 66 F CB 1.535 40.565 39.000 0.050 0.000 1.199 66 F HN 1.035 nan 8.300 nan 0.000 0.473 67 G N 1.988 111.094 108.800 0.510 0.000 2.596 67 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.295 67 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.295 67 G C -1.890 173.123 174.900 0.188 0.000 1.240 67 G CA -0.074 45.188 45.100 0.269 0.000 0.985 67 G HN 0.515 nan 8.290 nan 0.000 0.555 68 P HA 0.083 nan 4.420 nan 0.000 0.222 68 P C 1.799 179.139 177.300 0.066 0.000 1.147 68 P CA 0.967 64.113 63.100 0.076 0.000 0.790 68 P CB -0.088 31.643 31.700 0.051 0.000 0.780 69 L N -1.575 119.690 121.223 0.069 0.000 2.627 69 L HA 0.116 4.456 4.340 -0.000 0.000 0.233 69 L C 2.019 178.896 176.870 0.012 0.000 1.144 69 L CA 0.158 55.016 54.840 0.031 0.000 0.892 69 L CB -0.752 41.318 42.059 0.018 0.000 1.039 69 L HN -0.035 nan 8.230 nan 0.000 0.442 70 A N 1.302 124.160 122.820 0.064 0.000 2.172 70 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 70 A C 2.007 179.624 177.584 0.055 0.000 1.154 70 A CA 1.309 53.386 52.037 0.067 0.000 0.701 70 A CB -0.495 18.645 19.000 0.234 0.000 0.789 70 A HN 0.649 nan 8.150 nan 0.000 0.465 71 N N -0.418 118.306 118.700 0.041 0.000 2.515 71 N HA -0.056 4.684 4.740 -0.000 0.000 0.185 71 N C 0.062 175.567 175.510 -0.007 0.000 1.109 71 N CA 0.313 53.380 53.050 0.028 0.000 0.903 71 N CB -0.215 38.287 38.487 0.024 0.000 0.969 71 N HN 0.198 nan 8.380 nan 0.000 0.450 72 R N 1.036 121.521 120.500 -0.025 0.000 2.205 72 R HA 0.385 4.725 4.340 -0.000 0.000 0.342 72 R C -0.212 176.044 176.300 -0.074 0.000 1.058 72 R CA -0.280 55.792 56.100 -0.047 0.000 0.904 72 R CB 0.734 31.007 30.300 -0.046 0.000 1.089 72 R HN 0.152 nan 8.270 nan 0.000 0.471 73 L N 4.099 125.272 121.223 -0.084 0.000 2.397 73 L HA 0.350 4.690 4.340 -0.000 0.000 0.271 73 L C 0.105 176.919 176.870 -0.093 0.000 1.148 73 L CA -0.351 54.423 54.840 -0.111 0.000 0.825 73 L CB 0.566 42.533 42.059 -0.154 0.000 1.117 73 L HN 0.357 nan 8.230 nan 0.000 0.456 74 I N 1.564 122.078 120.570 -0.094 0.000 2.474 74 I HA 0.216 4.386 4.170 -0.000 0.000 0.294 74 I C 0.324 176.408 176.117 -0.056 0.000 1.005 74 I CA -0.242 61.013 61.300 -0.075 0.000 1.113 74 I CB 1.678 39.623 38.000 -0.091 0.000 1.289 74 I HN 0.516 nan 8.210 nan 0.000 0.436 75 S N 3.159 118.833 115.700 -0.042 0.000 2.565 75 S HA 0.335 4.805 4.470 -0.000 0.000 0.276 75 S C 1.487 176.073 174.600 -0.024 0.000 1.326 75 S CA 0.118 58.299 58.200 -0.032 0.000 1.045 75 S CB 1.194 64.379 63.200 -0.026 0.000 0.918 75 S HN 0.889 nan 8.310 nan 0.000 0.505 76 G N 2.869 111.659 108.800 -0.018 0.000 2.507 76 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.221 76 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.221 76 G C 1.177 176.069 174.900 -0.012 0.000 1.119 76 G CA 1.239 46.332 45.100 -0.012 0.000 0.751 76 G HN 0.949 nan 8.290 nan 0.000 0.574 77 E N 0.124 120.316 120.200 -0.013 0.000 2.265 77 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 77 E C 1.260 177.854 176.600 -0.009 0.000 0.996 77 E CA 0.985 57.378 56.400 -0.012 0.000 0.832 77 E CB -0.169 29.524 29.700 -0.011 0.000 0.756 77 E HN 0.360 nan 8.360 nan 0.000 0.491 78 N N 0.588 119.282 118.700 -0.010 0.000 2.203 78 N HA 0.061 4.801 4.740 -0.000 0.000 0.207 78 N C 1.308 176.817 175.510 -0.002 0.000 1.130 78 N CA 0.132 53.178 53.050 -0.006 0.000 0.861 78 N CB 1.184 39.666 38.487 -0.008 0.000 1.005 78 N HN 0.056 nan 8.380 nan 0.000 0.507 79 V N 1.205 121.117 119.914 -0.003 0.000 2.407 79 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 79 V C 2.420 178.524 176.094 0.016 0.000 1.055 79 V CA 1.353 63.657 62.300 0.006 0.000 1.049 79 V CB -0.221 31.606 31.823 0.006 0.000 0.662 79 V HN 0.237 nan 8.190 nan 0.000 0.455 80 R N 0.247 120.750 120.500 0.005 0.000 2.083 80 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 80 R C 2.358 178.658 176.300 0.001 0.000 1.137 80 R CA 2.070 58.170 56.100 -0.000 0.000 0.951 80 R CB -1.412 28.883 30.300 -0.008 0.000 0.851 80 R HN 0.514 nan 8.270 nan 0.000 0.434 81 T N 2.303 116.863 114.554 0.009 0.000 2.777 81 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 81 T C 1.898 176.620 174.700 0.037 0.000 1.040 81 T CA 1.037 63.148 62.100 0.018 0.000 1.141 81 T CB -0.294 68.589 68.868 0.025 0.000 0.868 81 T HN 0.090 nan 8.240 nan 0.000 0.444 82 L N 1.357 122.612 121.223 0.053 0.000 1.990 82 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 82 L C 2.426 179.407 176.870 0.185 0.000 1.072 82 L CA 1.867 56.776 54.840 0.116 0.000 0.755 82 L CB -0.628 41.471 42.059 0.066 0.000 0.889 82 L HN 0.257 nan 8.230 nan 0.000 0.432 83 Q N -0.919 118.949 119.800 0.113 0.000 2.172 83 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 83 Q C 2.220 178.171 176.000 -0.082 0.000 0.964 83 Q CA 1.139 56.977 55.803 0.059 0.000 0.855 83 Q CB -0.288 28.479 28.738 0.049 0.000 0.918 83 Q HN 0.704 nan 8.270 nan 0.000 0.444 84 A N 1.707 124.461 122.820 -0.110 0.000 1.930 84 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 84 A C 1.732 179.040 177.584 -0.460 0.000 1.175 84 A CA 1.366 53.231 52.037 -0.287 0.000 0.627 84 A CB -0.297 18.577 19.000 -0.211 0.000 0.815 84 A HN 0.252 nan 8.150 nan 0.000 0.443 85 N N -0.333 118.275 118.700 -0.154 0.000 2.396 85 N HA -0.071 4.668 4.740 -0.000 0.000 0.180 85 N C 1.508 177.036 175.510 0.031 0.000 1.028 85 N CA 1.060 54.119 53.050 0.015 0.000 0.893 85 N CB -0.426 38.148 38.487 0.145 0.000 0.967 85 N HN 0.459 nan 8.380 nan 0.000 0.440 86 L N 0.769 121.936 121.223 -0.093 0.000 1.994 86 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 86 L C 1.902 178.467 176.870 -0.508 0.000 1.071 86 L CA 1.453 56.065 54.840 -0.379 0.000 0.745 86 L CB -0.729 40.929 42.059 -0.667 0.000 0.892 86 L HN -0.118 nan 8.230 nan 0.000 0.431 87 V N -0.158 119.532 119.914 -0.374 0.000 2.332 87 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 87 V C 2.403 178.355 176.094 -0.237 0.000 1.055 87 V CA 2.295 64.398 62.300 -0.327 0.000 1.038 87 V CB -1.061 30.594 31.823 -0.280 0.000 0.651 87 V HN 0.632 nan 8.190 nan 0.000 0.450 88 H N -0.458 118.505 119.070 -0.179 0.000 2.270 88 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 88 H C 2.384 177.650 175.328 -0.103 0.000 1.077 88 H CA 1.703 57.680 56.048 -0.118 0.000 1.294 88 H CB -0.252 29.488 29.762 -0.037 0.000 1.371 88 H HN 0.672 nan 8.280 nan 0.000 0.491 89 H N 0.705 119.801 119.070 0.043 0.000 2.456 89 H HA -0.068 4.488 4.556 0.000 0.000 0.296 89 H C 1.876 177.176 175.328 -0.047 0.000 1.079 89 H CA 0.958 57.003 56.048 -0.006 0.000 1.322 89 H CB -0.281 29.478 29.762 -0.004 0.000 1.388 89 H HN 0.325 nan 8.280 nan 0.000 0.538 90 L N 1.022 121.945 121.223 -0.499 0.000 2.395 90 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 90 L C 1.912 178.650 176.870 -0.220 0.000 1.130 90 L CA 0.364 54.986 54.840 -0.363 0.000 0.826 90 L CB -0.078 41.696 42.059 -0.477 0.000 0.941 90 L HN 0.283 nan 8.230 nan 0.000 0.451 91 A N -0.000 122.656 122.820 -0.272 0.000 3.074 91 A HA 0.159 4.479 4.320 -0.000 0.000 0.251 91 A C 1.258 178.806 177.584 -0.061 0.000 1.695 91 A CA 0.273 52.024 52.037 -0.477 0.000 1.343 91 A CB -0.625 18.041 19.000 -0.557 0.000 1.078 91 A HN 0.359 nan 8.150 nan 0.000 0.644 92 S N -0.635 115.124 115.700 0.099 0.000 2.575 92 S HA 0.361 4.831 4.470 -0.000 0.000 0.237 92 S C 0.894 175.595 174.600 0.168 0.000 0.975 92 S CA 0.091 58.368 58.200 0.128 0.000 0.960 92 S CB 0.081 63.326 63.200 0.075 0.000 0.822 92 S HN 0.751 nan 8.310 nan 0.000 0.472 93 G N 1.588 110.589 108.800 0.334 0.000 2.491 93 G HA2 0.499 4.459 3.960 -0.000 0.000 0.242 93 G HA3 0.499 4.459 3.960 -0.000 0.000 0.242 93 G C -0.115 174.754 174.900 -0.051 0.000 1.266 93 G CA 0.099 45.238 45.100 0.064 0.000 0.844 93 G HN 0.977 nan 8.290 nan 0.000 0.571 94 V N -0.718 119.161 119.914 -0.058 0.000 3.156 94 V HA 1.038 5.158 4.120 -0.000 0.000 0.310 94 V C 0.606 176.665 176.094 -0.059 0.000 1.234 94 V CA -0.103 62.164 62.300 -0.054 0.000 1.065 94 V CB 1.095 32.907 31.823 -0.018 0.000 1.088 94 V HN 2.537 nan 8.190 nan 0.000 0.451 95 G N 0.401 109.174 108.800 -0.044 0.000 2.712 95 G HA2 0.060 4.020 3.960 -0.000 0.000 0.683 95 G HA3 0.060 4.020 3.960 -0.000 0.000 0.683 95 G C -2.769 172.107 174.900 -0.040 0.000 1.320 95 G CA -0.307 44.773 45.100 -0.034 0.000 0.847 95 G HN 1.115 nan 8.290 nan 0.000 0.553 96 P HA 0.407 nan 4.420 nan 0.000 0.269 96 P C 0.851 178.134 177.300 -0.028 0.000 1.209 96 P CA 0.412 63.501 63.100 -0.019 0.000 0.776 96 P CB 0.819 32.517 31.700 -0.003 0.000 0.876 97 V N 1.384 121.282 119.914 -0.027 0.000 3.051 97 V HA 0.154 4.274 4.120 -0.000 0.000 0.306 97 V C 0.693 176.782 176.094 -0.008 0.000 1.083 97 V CA -0.685 61.594 62.300 -0.034 0.000 1.104 97 V CB -0.494 31.313 31.823 -0.027 0.000 1.027 97 V HN 0.300 nan 8.190 nan 0.000 0.483 98 L N 2.721 123.936 121.223 -0.014 0.000 2.483 98 L HA 0.239 4.579 4.340 -0.000 0.000 0.276 98 L C 0.647 177.539 176.870 0.037 0.000 1.213 98 L CA -0.213 54.631 54.840 0.007 0.000 0.843 98 L CB 0.161 42.214 42.059 -0.009 0.000 1.107 98 L HN 1.026 nan 8.230 nan 0.000 0.487 99 D N 0.173 120.611 120.400 0.064 0.000 2.361 99 D HA -0.122 4.518 4.640 -0.000 0.000 0.239 99 D C 0.709 177.105 176.300 0.159 0.000 1.200 99 D CA -0.404 53.667 54.000 0.118 0.000 0.915 99 D CB 0.485 41.361 40.800 0.126 0.000 1.170 99 D HN 0.553 nan 8.370 nan 0.000 0.444 100 W N 1.048 122.355 121.300 0.010 0.000 2.290 100 W HA -0.302 4.358 4.660 -0.000 0.000 0.328 100 W C 2.208 178.724 176.519 -0.005 0.000 1.272 100 W CA 2.859 60.210 57.345 0.009 0.000 1.262 100 W CB -0.824 28.644 29.460 0.013 0.000 1.151 100 W HN 0.435 nan 8.180 nan 0.000 0.473 101 T N -0.279 114.417 114.554 0.236 0.000 2.746 101 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 101 T C 1.560 176.192 174.700 -0.114 0.000 1.039 101 T CA 2.324 64.411 62.100 -0.021 0.000 1.142 101 T CB -0.902 68.047 68.868 0.134 0.000 0.866 101 T HN 0.193 nan 8.240 nan 0.000 0.444 102 T N 1.929 116.474 114.554 -0.015 0.000 2.777 102 T HA 0.030 4.380 4.350 -0.000 0.000 0.266 102 T C 2.421 177.080 174.700 -0.069 0.000 1.040 102 T CA 1.077 63.164 62.100 -0.021 0.000 1.141 102 T CB -0.506 68.378 68.868 0.026 0.000 0.868 102 T HN 0.427 nan 8.240 nan 0.000 0.444 103 A N 1.699 124.467 122.820 -0.086 0.000 1.933 103 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 103 A C 2.366 179.850 177.584 -0.166 0.000 1.175 103 A CA 1.296 53.268 52.037 -0.108 0.000 0.628 103 A CB -0.429 18.514 19.000 -0.095 0.000 0.814 103 A HN 0.400 nan 8.150 nan 0.000 0.444 104 R N -0.605 119.731 120.500 -0.274 0.000 2.115 104 R HA 0.032 4.372 4.340 -0.000 0.000 0.226 104 R C 2.396 178.566 176.300 -0.217 0.000 1.100 104 R CA 0.985 56.895 56.100 -0.316 0.000 0.980 104 R CB -0.369 29.594 30.300 -0.561 0.000 0.875 104 R HN 0.498 nan 8.270 nan 0.000 0.445 105 A N 1.162 123.873 122.820 -0.182 0.000 1.930 105 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 105 A C 2.106 179.637 177.584 -0.088 0.000 1.175 105 A CA 1.222 53.185 52.037 -0.123 0.000 0.627 105 A CB -0.421 18.529 19.000 -0.082 0.000 0.815 105 A HN 0.318 nan 8.150 nan 0.000 0.443 106 M N -0.284 119.267 119.600 -0.081 0.000 2.099 106 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 106 M C 1.878 178.140 176.300 -0.063 0.000 1.067 106 M CA 1.982 57.246 55.300 -0.059 0.000 1.124 106 M CB -0.235 32.334 32.600 -0.052 0.000 1.353 106 M HN 0.183 nan 8.290 nan 0.000 0.410 107 V N 1.151 121.017 119.914 -0.081 0.000 2.332 107 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 107 V C 2.434 178.487 176.094 -0.068 0.000 1.055 107 V CA 1.784 64.041 62.300 -0.072 0.000 1.038 107 V CB -0.946 30.827 31.823 -0.084 0.000 0.651 107 V HN 0.597 nan 8.190 nan 0.000 0.450 108 L N 0.909 122.081 121.223 -0.085 0.000 2.046 108 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 108 L C 2.445 179.278 176.870 -0.063 0.000 1.077 108 L CA 2.377 57.170 54.840 -0.078 0.000 0.747 108 L CB -0.939 41.063 42.059 -0.094 0.000 0.896 108 L HN 0.212 nan 8.230 nan 0.000 0.432 109 A N -0.427 122.357 122.820 -0.059 0.000 1.902 109 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 109 A C 2.458 180.018 177.584 -0.039 0.000 1.181 109 A CA 1.851 53.858 52.037 -0.050 0.000 0.623 109 A CB -0.616 18.358 19.000 -0.043 0.000 0.818 109 A HN 0.488 nan 8.150 nan 0.000 0.443 110 R N -0.663 119.816 120.500 -0.035 0.000 2.075 110 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 110 R C 1.944 178.231 176.300 -0.023 0.000 1.126 110 R CA 1.538 57.624 56.100 -0.024 0.000 0.963 110 R CB -0.677 29.610 30.300 -0.022 0.000 0.858 110 R HN 0.440 nan 8.270 nan 0.000 0.435 111 L N -0.073 121.132 121.223 -0.031 0.000 2.012 111 L HA -0.115 4.224 4.340 -0.000 0.000 0.210 111 L C 1.922 178.775 176.870 -0.028 0.000 1.073 111 L CA 1.673 56.496 54.840 -0.029 0.000 0.748 111 L CB -0.546 41.492 42.059 -0.036 0.000 0.891 111 L HN 0.077 nan 8.230 nan 0.000 0.431 112 V N -1.005 118.886 119.914 -0.038 0.000 2.332 112 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 112 V C 2.769 178.846 176.094 -0.029 0.000 1.055 112 V CA 1.823 64.098 62.300 -0.041 0.000 1.038 112 V CB -0.966 30.821 31.823 -0.060 0.000 0.651 112 V HN 0.651 nan 8.190 nan 0.000 0.450 113 S N -0.243 115.442 115.700 -0.025 0.000 2.356 113 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 113 S C 1.943 176.541 174.600 -0.003 0.000 1.032 113 S CA 1.795 59.986 58.200 -0.015 0.000 1.005 113 S CB -0.373 62.820 63.200 -0.011 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.789 122.359 120.570 0.000 0.000 2.208 114 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 114 I C 2.713 178.834 176.117 0.006 0.000 1.097 114 I CA 1.144 62.450 61.300 0.010 0.000 1.363 114 I CB -0.526 37.477 38.000 0.005 0.000 1.051 114 I HN 0.389 nan 8.210 nan 0.000 0.413 115 A N 0.027 122.845 122.820 -0.004 0.000 2.131 115 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 115 A C 2.075 179.660 177.584 0.002 0.000 1.158 115 A CA 1.213 53.248 52.037 -0.004 0.000 0.665 115 A CB -0.344 18.649 19.000 -0.011 0.000 0.795 115 A HN 0.418 nan 8.150 nan 0.000 0.460 116 Q N -1.161 118.642 119.800 0.005 0.000 2.488 116 Q HA 0.084 4.424 4.340 -0.000 0.000 0.211 116 Q C 1.248 177.258 176.000 0.017 0.000 0.967 116 Q CA 0.768 56.576 55.803 0.009 0.000 0.926 116 Q CB -0.586 28.155 28.738 0.004 0.000 0.992 116 Q HN 1.037 nan 8.270 nan 0.000 0.506 117 G N 0.477 109.291 108.800 0.022 0.000 2.225 117 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.264 117 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.264 117 G C 0.493 175.429 174.900 0.060 0.000 1.060 117 G CA 0.436 45.556 45.100 0.032 0.000 0.833 117 G HN 0.523 nan 8.290 nan 0.000 0.498 118 A N -1.023 121.843 122.820 0.077 0.000 2.585 118 A HA 0.718 5.038 4.320 -0.000 0.000 0.266 118 A C 1.698 179.402 177.584 0.201 0.000 1.178 118 A CA 1.371 53.479 52.037 0.118 0.000 0.966 118 A CB 0.305 19.333 19.000 0.046 0.000 1.170 118 A HN 0.770 nan 8.150 nan 0.000 0.558 119 S N -1.153 114.664 115.700 0.194 0.000 2.502 119 S HA 0.363 4.833 4.470 -0.000 0.000 0.215 119 S C 1.530 176.320 174.600 0.317 0.000 1.009 119 S CA 0.673 59.019 58.200 0.244 0.000 0.908 119 S CB 0.420 63.691 63.200 0.118 0.000 0.801 119 S HN 1.635 nan 8.310 nan 0.000 0.505 120 G N 1.919 110.820 108.800 0.167 0.000 2.162 120 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 120 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 120 G C 0.237 175.118 174.900 -0.033 0.000 0.976 120 G CA 0.029 45.107 45.100 -0.037 0.000 0.655 120 G HN 0.905 nan 8.290 nan 0.000 0.533 121 A N 0.439 123.263 122.820 0.007 0.000 2.540 121 A HA 0.595 4.915 4.320 -0.000 0.000 0.239 121 A C 1.177 178.712 177.584 -0.081 0.000 1.061 121 A CA 1.046 53.071 52.037 -0.021 0.000 0.758 121 A CB 0.174 19.171 19.000 -0.005 0.000 0.991 121 A HN 2.043 nan 8.150 nan 0.000 0.502 122 S N 1.783 117.400 115.700 -0.138 0.000 2.614 122 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 122 S C 0.772 175.265 174.600 -0.178 0.000 1.303 122 S CA 0.133 58.173 58.200 -0.267 0.000 1.000 122 S CB 0.680 63.535 63.200 -0.574 0.000 0.935 122 S HN 0.722 nan 8.310 nan 0.000 0.551 123 E N 1.563 121.655 120.200 -0.179 0.000 2.085 123 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 123 E C 2.158 178.712 176.600 -0.077 0.000 0.994 123 E CA 1.279 57.618 56.400 -0.102 0.000 0.801 123 E CB -0.808 28.842 29.700 -0.082 0.000 0.743 123 E HN 0.908 nan 8.360 nan 0.000 0.453 124 G N 0.506 109.253 108.800 -0.089 0.000 2.422 124 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 124 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 124 G C 1.625 176.509 174.900 -0.027 0.000 1.146 124 G CA 1.297 46.374 45.100 -0.038 0.000 0.769 124 G HN 0.190 nan 8.290 nan 0.000 0.547 125 T N 1.296 115.825 114.554 -0.041 0.000 2.746 125 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 125 T C 2.382 177.070 174.700 -0.020 0.000 1.039 125 T CA 0.938 63.026 62.100 -0.020 0.000 1.142 125 T CB -0.149 68.706 68.868 -0.023 0.000 0.866 125 T HN 0.249 nan 8.240 nan 0.000 0.444 126 I N 1.301 121.853 120.570 -0.031 0.000 2.226 126 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 126 I C 2.898 179.003 176.117 -0.020 0.000 1.100 126 I CA 1.050 62.335 61.300 -0.025 0.000 1.374 126 I CB -0.461 37.521 38.000 -0.030 0.000 1.057 126 I HN 0.192 nan 8.210 nan 0.000 0.413 127 A N 0.784 123.592 122.820 -0.020 0.000 1.933 127 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 127 A C 2.333 179.914 177.584 -0.006 0.000 1.175 127 A CA 1.327 53.356 52.037 -0.013 0.000 0.628 127 A CB -0.405 18.588 19.000 -0.012 0.000 0.814 127 A HN 0.254 nan 8.150 nan 0.000 0.444 128 R N -0.214 120.286 120.500 0.000 0.000 2.096 128 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 128 R C 2.033 178.340 176.300 0.011 0.000 1.127 128 R CA 1.163 57.270 56.100 0.013 0.000 0.968 128 R CB -1.002 29.311 30.300 0.022 0.000 0.861 128 R HN 0.602 nan 8.270 nan 0.000 0.440 129 L N 0.125 121.348 121.223 -0.001 0.000 2.056 129 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 129 L C 2.486 179.346 176.870 -0.018 0.000 1.078 129 L CA 1.118 55.952 54.840 -0.010 0.000 0.749 129 L CB -0.461 41.587 42.059 -0.018 0.000 0.901 129 L HN 0.063 nan 8.230 nan 0.000 0.433 130 I N -0.052 120.508 120.570 -0.018 0.000 2.226 130 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 130 I C 2.134 178.240 176.117 -0.017 0.000 1.100 130 I CA 1.190 62.477 61.300 -0.021 0.000 1.374 130 I CB -0.395 37.594 38.000 -0.018 0.000 1.057 130 I HN 0.254 nan 8.210 nan 0.000 0.413 131 D N 0.782 121.176 120.400 -0.010 0.000 2.123 131 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 131 D C 2.127 178.423 176.300 -0.007 0.000 0.992 131 D CA 0.976 54.971 54.000 -0.008 0.000 0.833 131 D CB -0.345 40.452 40.800 -0.005 0.000 0.954 131 D HN 0.153 nan 8.370 nan 0.000 0.455 132 L N 0.768 121.993 121.223 0.002 0.000 2.012 132 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 132 L C 2.143 178.997 176.870 -0.027 0.000 1.073 132 L CA 1.438 56.285 54.840 0.012 0.000 0.748 132 L CB -0.916 41.166 42.059 0.039 0.000 0.891 132 L HN 0.102 nan 8.230 nan 0.000 0.431 133 L N 0.145 121.339 121.223 -0.049 0.000 2.191 133 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 133 L C 1.897 178.738 176.870 -0.048 0.000 1.103 133 L CA 0.890 55.682 54.840 -0.080 0.000 0.769 133 L CB -0.553 41.459 42.059 -0.080 0.000 0.908 133 L HN 0.376 nan 8.230 nan 0.000 0.438 134 N N -0.534 118.153 118.700 -0.022 0.000 2.398 134 N HA -0.007 4.732 4.740 -0.000 0.000 0.188 134 N C 0.834 176.354 175.510 0.017 0.000 1.122 134 N CA 0.349 53.398 53.050 -0.002 0.000 0.866 134 N CB 0.197 38.682 38.487 -0.004 0.000 0.970 134 N HN 0.338 nan 8.380 nan 0.000 0.462 135 S N 0.280 115.991 115.700 0.020 0.000 2.713 135 S HA 0.212 4.682 4.470 -0.000 0.000 0.277 135 S C 0.913 175.584 174.600 0.119 0.000 1.168 135 S CA -0.647 57.578 58.200 0.043 0.000 0.994 135 S CB 1.210 64.418 63.200 0.013 0.000 1.054 135 S HN 0.289 nan 8.310 nan 0.000 0.555 136 E N -0.341 119.954 120.200 0.158 0.000 2.444 136 E HA 0.296 4.646 4.350 -0.000 0.000 0.191 136 E C -0.071 176.829 176.600 0.501 0.000 1.041 136 E CA -0.251 56.334 56.400 0.309 0.000 0.883 136 E CB -0.306 29.485 29.700 0.152 0.000 1.024 136 E HN 0.510 nan 8.360 nan 0.000 0.470 137 L N 0.624 122.049 121.223 0.337 0.000 2.304 137 L HA 0.810 5.150 4.340 -0.000 0.000 0.268 137 L C -0.254 176.728 176.870 0.186 0.000 1.010 137 L CA -1.254 53.814 54.840 0.380 0.000 0.813 137 L CB 1.768 43.931 42.059 0.172 0.000 1.315 137 L HN 0.076 nan 8.230 nan 0.000 0.445 138 A N 0.994 123.948 122.820 0.224 0.000 2.515 138 A HA 0.821 5.141 4.320 -0.000 0.000 0.298 138 A C -2.801 174.863 177.584 0.135 0.000 1.059 138 A CA -1.431 50.596 52.037 -0.016 0.000 0.698 138 A CB 1.885 20.689 19.000 -0.327 0.000 1.289 138 A HN 0.372 nan 8.150 nan 0.000 0.404 139 P HA 0.378 nan 4.420 nan 0.000 0.275 139 P C -0.361 176.842 177.300 -0.161 0.000 1.228 139 P CA 0.092 63.031 63.100 -0.268 0.000 0.786 139 P CB 1.304 32.857 31.700 -0.246 0.000 0.927 140 A N 3.369 126.069 122.820 -0.200 0.000 2.316 140 A HA 0.507 4.827 4.320 -0.000 0.000 0.311 140 A C 0.206 177.720 177.584 -0.116 0.000 1.339 140 A CA -0.470 51.508 52.037 -0.097 0.000 0.960 140 A CB -0.420 18.543 19.000 -0.062 0.000 1.152 140 A HN 0.446 nan 8.150 nan 0.000 0.547 141 V N 1.050 120.902 119.914 -0.104 0.000 2.656 141 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 141 V C -2.812 173.178 176.094 -0.173 0.000 1.051 141 V CA -2.611 59.603 62.300 -0.143 0.000 0.893 141 V CB 1.875 33.649 31.823 -0.081 0.000 0.999 141 V HN 0.658 nan 8.190 nan 0.000 0.426 142 P HA 0.106 nan 4.420 nan 0.000 0.266 142 P C 0.837 178.054 177.300 -0.138 0.000 1.195 142 P CA 0.437 63.399 63.100 -0.230 0.000 0.768 142 P CB 1.363 32.855 31.700 -0.347 0.000 0.838 143 S N 2.853 118.506 115.700 -0.079 0.000 2.461 143 S HA 0.002 4.472 4.470 -0.000 0.000 0.228 143 S C 0.848 175.431 174.600 -0.028 0.000 1.005 143 S CA 0.168 58.343 58.200 -0.041 0.000 0.942 143 S CB -0.130 63.059 63.200 -0.019 0.000 0.776 143 S HN 0.432 nan 8.310 nan 0.000 0.514 144 R N -0.330 120.149 120.500 -0.035 0.000 2.787 144 R HA 0.634 4.974 4.340 -0.000 0.000 0.271 144 R C 0.728 177.023 176.300 -0.009 0.000 0.993 144 R CA -0.109 55.981 56.100 -0.015 0.000 0.993 144 R CB 1.525 31.818 30.300 -0.011 0.000 1.155 144 R HN 0.296 nan 8.270 nan 0.000 0.486 145 G N 0.112 108.917 108.800 0.008 0.000 2.551 145 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.186 145 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.186 145 G C 0.017 174.933 174.900 0.027 0.000 1.002 145 G CA -0.028 45.085 45.100 0.022 0.000 0.723 145 G HN 0.608 nan 8.290 nan 0.000 0.481 146 T N 0.569 115.137 114.554 0.023 0.000 2.859 146 T HA 0.541 4.891 4.350 -0.000 0.000 0.281 146 T C 1.362 176.080 174.700 0.030 0.000 1.005 146 T CA 0.406 62.520 62.100 0.024 0.000 1.025 146 T CB 1.675 70.555 68.868 0.020 0.000 0.977 146 T HN 1.148 nan 8.240 nan 0.000 0.458 147 V N 1.530 121.464 119.914 0.034 0.000 3.444 147 V HA 0.612 4.732 4.120 -0.000 0.000 0.308 147 V C 1.174 177.300 176.094 0.054 0.000 1.371 147 V CA 0.207 62.533 62.300 0.044 0.000 1.141 147 V CB -1.331 30.519 31.823 0.046 0.000 1.037 147 V HN 1.378 nan 8.190 nan 0.000 0.433 153 L N -0.369 120.828 121.223 -0.043 0.000 2.017 153 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 153 L C 2.378 179.204 176.870 -0.074 0.000 1.073 153 L CA 1.414 56.207 54.840 -0.080 0.000 0.745 153 L CB -0.603 41.388 42.059 -0.114 0.000 0.894 153 L HN 0.093 nan 8.230 nan 0.000 0.432 154 T N 0.451 114.986 114.554 -0.031 0.000 2.643 154 T HA -0.079 4.271 4.350 -0.000 0.000 0.264 154 T C -0.460 174.309 174.700 0.116 0.000 1.045 154 T CA 1.671 63.785 62.100 0.023 0.000 1.155 154 T CB -1.125 67.781 68.868 0.063 0.000 0.863 154 T HN 0.296 nan 8.240 nan 0.000 0.420 155 P HA 0.019 nan 4.420 nan 0.000 0.218 155 P C 1.537 178.866 177.300 0.048 0.000 1.149 155 P CA 0.949 64.094 63.100 0.076 0.000 0.817 155 P CB -0.213 31.494 31.700 0.013 0.000 0.785 156 L N -0.748 120.475 121.223 -0.000 0.000 2.156 156 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 156 L C 2.743 179.577 176.870 -0.059 0.000 1.095 156 L CA 1.198 56.020 54.840 -0.031 0.000 0.770 156 L CB -0.963 41.072 42.059 -0.041 0.000 0.914 156 L HN -0.060 nan 8.230 nan 0.000 0.439 157 A N -0.899 121.864 122.820 -0.094 0.000 1.898 157 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 157 A C 2.119 179.592 177.584 -0.184 0.000 1.181 157 A CA 1.237 53.166 52.037 -0.179 0.000 0.620 157 A CB -0.702 18.136 19.000 -0.271 0.000 0.819 157 A HN 0.397 nan 8.150 nan 0.000 0.442 158 H N -1.165 117.851 119.070 -0.089 0.000 2.387 158 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 158 H C 2.096 177.356 175.328 -0.113 0.000 1.090 158 H CA 1.763 57.758 56.048 -0.089 0.000 1.332 158 H CB -0.261 29.453 29.762 -0.081 0.000 1.386 158 H HN 0.589 nan 8.280 nan 0.000 0.516 159 M N 0.565 120.165 119.600 0.001 0.000 2.117 159 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 159 M C 2.141 178.395 176.300 -0.076 0.000 1.065 159 M CA 1.297 56.558 55.300 -0.064 0.000 1.114 159 M CB -0.127 32.442 32.600 -0.053 0.000 1.361 159 M HN -0.004 nan 8.290 nan 0.000 0.408 160 V N 1.330 121.202 119.914 -0.068 0.000 2.287 160 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 160 V C 2.450 178.509 176.094 -0.058 0.000 1.053 160 V CA 1.862 64.125 62.300 -0.062 0.000 1.027 160 V CB -0.740 31.034 31.823 -0.081 0.000 0.646 160 V HN 0.544 nan 8.190 nan 0.000 0.447 161 L N -0.901 120.278 121.223 -0.073 0.000 2.042 161 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 161 L C 2.676 179.513 176.870 -0.054 0.000 1.076 161 L CA 1.760 56.570 54.840 -0.050 0.000 0.749 161 L CB -0.797 41.229 42.059 -0.054 0.000 0.893 161 L HN 0.409 nan 8.230 nan 0.000 0.432 162 C N -0.051 119.171 119.300 -0.129 0.000 2.413 162 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 162 C C 2.669 177.583 174.990 -0.128 0.000 1.228 162 C CA 0.521 59.357 59.018 -0.303 0.000 1.731 162 C CB -0.913 26.478 27.740 -0.582 0.000 2.042 162 C HN 0.442 nan 8.230 nan 0.000 0.468 163 L N 0.320 121.528 121.223 -0.025 0.000 2.450 163 L HA -0.166 4.174 4.340 -0.000 0.000 0.224 163 L C 2.357 179.304 176.870 0.129 0.000 1.149 163 L CA 1.223 56.146 54.840 0.138 0.000 0.816 163 L CB -0.646 41.456 42.059 0.072 0.000 0.932 163 L HN 0.546 nan 8.230 nan 0.000 0.449 164 Q N -0.430 119.417 119.800 0.077 0.000 2.319 164 Q HA 0.135 4.475 4.340 -0.000 0.000 0.202 164 Q C 1.338 177.394 176.000 0.093 0.000 0.896 164 Q CA 0.481 56.325 55.803 0.068 0.000 0.942 164 Q CB 0.714 29.472 28.738 0.033 0.000 1.083 164 Q HN 0.536 nan 8.270 nan 0.000 0.510 165 G N 1.819 110.709 108.800 0.150 0.000 2.143 165 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.249 165 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.249 165 G C 0.555 175.524 174.900 0.116 0.000 0.981 165 G CA 0.116 45.323 45.100 0.178 0.000 0.665 165 G HN 0.323 nan 8.290 nan 0.000 0.528 166 R N 0.027 120.570 120.500 0.071 0.000 2.507 166 R HA 0.465 4.805 4.340 -0.000 0.000 0.298 166 R C 0.992 177.304 176.300 0.019 0.000 0.999 166 R CA 0.487 56.614 56.100 0.044 0.000 1.082 166 R CB 0.866 31.190 30.300 0.040 0.000 1.246 166 R HN 0.520 nan 8.270 nan 0.000 0.553 167 G N -0.250 108.546 108.800 -0.006 0.000 2.704 167 G HA2 0.238 4.198 3.960 -0.000 0.000 0.293 167 G HA3 0.238 4.198 3.960 -0.000 0.000 0.293 167 G C -1.463 173.373 174.900 -0.107 0.000 1.421 167 G CA -0.661 44.405 45.100 -0.056 0.000 0.870 167 G HN -0.127 nan 8.290 nan 0.000 0.492 168 D N -0.479 119.872 120.400 -0.082 0.000 2.361 168 D HA 0.548 5.188 4.640 -0.000 0.000 0.239 168 D C -0.433 175.751 176.300 -0.194 0.000 1.200 168 D CA 0.625 54.608 54.000 -0.029 0.000 0.915 168 D CB 0.758 41.566 40.800 0.013 0.000 1.170 168 D HN 0.111 nan 8.370 nan 0.000 0.444 169 F N -0.654 119.322 119.950 0.044 0.000 2.611 169 F HA 0.531 5.058 4.527 -0.000 0.000 0.324 169 F C -0.233 175.614 175.800 0.079 0.000 1.061 169 F CA -0.912 57.122 58.000 0.057 0.000 0.954 169 F CB 1.205 40.240 39.000 0.057 0.000 1.301 169 F HN -0.070 nan 8.300 nan 0.000 0.482 170 L N 1.669 123.098 121.223 0.343 0.000 2.381 170 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 170 L C -0.946 176.150 176.870 0.378 0.000 0.997 170 L CA -1.026 53.990 54.840 0.294 0.000 0.818 170 L CB 1.883 44.115 42.059 0.288 0.000 1.310 170 L HN 0.596 nan 8.230 nan 0.000 0.416 171 D N 1.855 122.376 120.400 0.202 0.000 2.432 171 D HA 0.129 4.769 4.640 -0.000 0.000 0.258 171 D C 0.845 177.001 176.300 -0.241 0.000 1.146 171 D CA -0.662 53.384 54.000 0.077 0.000 1.015 171 D CB 1.131 41.930 40.800 -0.002 0.000 1.107 171 D HN 0.443 nan 8.370 nan 0.000 0.529 172 R N -0.431 119.658 120.500 -0.685 0.000 2.139 172 R HA -0.154 4.186 4.340 -0.000 0.000 0.243 172 R C 0.567 176.532 176.300 -0.559 0.000 1.145 172 R CA 1.592 56.951 56.100 -1.235 0.000 0.976 172 R CB -0.078 29.588 30.300 -1.056 0.000 0.866 172 R HN 0.460 nan 8.270 nan 0.000 0.449 173 D N -1.426 118.798 120.400 -0.294 0.000 2.349 173 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 173 D C 1.032 177.290 176.300 -0.071 0.000 1.029 173 D CA 1.082 54.992 54.000 -0.151 0.000 0.879 173 D CB 0.670 41.407 40.800 -0.105 0.000 0.906 173 D HN 0.560 nan 8.370 nan 0.000 0.528 174 G N 0.809 109.584 108.800 -0.042 0.000 2.175 174 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.244 174 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.244 174 G C 0.585 175.509 174.900 0.040 0.000 0.982 174 G CA 0.211 45.332 45.100 0.034 0.000 0.641 174 G HN 0.291 nan 8.290 nan 0.000 0.527 175 T N 2.991 117.557 114.554 0.021 0.000 2.902 175 T HA 0.406 4.756 4.350 -0.000 0.000 0.301 175 T C 0.776 175.514 174.700 0.063 0.000 1.012 175 T CA 0.033 62.151 62.100 0.030 0.000 1.151 175 T CB 0.765 69.640 68.868 0.012 0.000 0.946 175 T HN 0.281 nan 8.240 nan 0.000 0.542 176 R N 2.904 123.441 120.500 0.060 0.000 2.357 176 R HA 0.502 4.842 4.340 -0.000 0.000 0.296 176 R C -0.389 175.963 176.300 0.086 0.000 1.052 176 R CA -0.385 55.763 56.100 0.079 0.000 0.988 176 R CB 0.783 31.118 30.300 0.057 0.000 1.025 176 R HN 0.561 nan 8.270 nan 0.000 0.469 177 L N 2.164 123.464 121.223 0.128 0.000 2.370 177 L HA 0.286 4.626 4.340 -0.000 0.000 0.266 177 L C 0.100 177.068 176.870 0.163 0.000 1.002 177 L CA -1.242 53.676 54.840 0.129 0.000 0.818 177 L CB 2.084 44.225 42.059 0.136 0.000 1.325 177 L HN 0.618 nan 8.230 nan 0.000 0.418 178 D N 1.131 121.606 120.400 0.126 0.000 2.377 178 D HA 0.094 4.734 4.640 -0.000 0.000 0.245 178 D C 1.196 177.621 176.300 0.209 0.000 1.196 178 D CA -0.013 54.066 54.000 0.131 0.000 0.962 178 D CB 1.016 41.865 40.800 0.082 0.000 1.127 178 D HN 0.570 nan 8.370 nan 0.000 0.471 179 G N 0.027 108.947 108.800 0.200 0.000 2.529 179 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 179 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 179 G C 1.506 176.538 174.900 0.220 0.000 1.177 179 G CA 2.060 47.328 45.100 0.281 0.000 0.773 179 G HN 0.720 nan 8.290 nan 0.000 0.573 180 A N 0.543 123.434 122.820 0.119 0.000 1.902 180 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 180 A C 2.229 179.831 177.584 0.030 0.000 1.181 180 A CA 2.333 54.409 52.037 0.065 0.000 0.623 180 A CB -0.446 18.581 19.000 0.046 0.000 0.818 180 A HN 0.419 nan 8.150 nan 0.000 0.443 181 E N 0.173 120.396 120.200 0.038 0.000 2.150 181 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 181 E C 1.943 178.507 176.600 -0.061 0.000 0.985 181 E CA 1.416 57.818 56.400 0.003 0.000 0.814 181 E CB -0.828 28.887 29.700 0.025 0.000 0.752 181 E HN 0.397 nan 8.360 nan 0.000 0.466 182 G N 0.867 109.620 108.800 -0.078 0.000 2.421 182 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 182 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 182 G C 1.605 176.147 174.900 -0.597 0.000 1.171 182 G CA 0.934 45.756 45.100 -0.462 0.000 0.775 182 G HN 0.321 nan 8.290 nan 0.000 0.543 183 L N -0.203 120.799 121.223 -0.368 0.000 2.079 183 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 183 L C 3.201 179.977 176.870 -0.157 0.000 1.081 183 L CA 1.097 55.797 54.840 -0.232 0.000 0.752 183 L CB -0.363 41.657 42.059 -0.065 0.000 0.896 183 L HN 0.188 nan 8.230 nan 0.000 0.433 184 R N -0.269 120.163 120.500 -0.114 0.000 2.057 184 R HA -0.150 4.190 4.340 -0.000 0.000 0.229 184 R C 2.418 178.667 176.300 -0.086 0.000 1.136 184 R CA 1.153 57.208 56.100 -0.075 0.000 0.952 184 R CB -0.366 29.907 30.300 -0.045 0.000 0.848 184 R HN 0.117 nan 8.270 nan 0.000 0.430 185 R N 0.850 121.287 120.500 -0.105 0.000 2.091 185 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 185 R C 1.871 178.112 176.300 -0.097 0.000 1.136 185 R CA 2.033 58.079 56.100 -0.089 0.000 0.959 185 R CB -0.912 29.336 30.300 -0.087 0.000 0.856 185 R HN 0.321 nan 8.270 nan 0.000 0.437 186 G N -0.734 107.969 108.800 -0.161 0.000 2.985 186 G HA2 0.004 3.964 3.960 -0.000 0.000 0.209 186 G HA3 0.004 3.964 3.960 -0.000 0.000 0.209 186 G C -0.431 174.413 174.900 -0.093 0.000 1.165 186 G CA -0.057 44.965 45.100 -0.129 0.000 0.776 186 G HN 0.370 nan 8.290 nan 0.000 0.541 187 R N -0.919 119.529 120.500 -0.087 0.000 3.205 187 R HA -0.138 4.202 4.340 -0.000 0.000 0.249 187 R C -0.710 175.557 176.300 -0.055 0.000 0.937 187 R CA 0.358 56.423 56.100 -0.057 0.000 0.641 187 R CB -2.160 28.118 30.300 -0.036 0.000 1.114 187 R HN 0.345 nan 8.270 nan 0.000 0.451 188 L N 0.623 121.802 121.223 -0.074 0.000 2.330 188 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 188 L C 0.531 177.385 176.870 -0.026 0.000 1.013 188 L CA -1.180 53.629 54.840 -0.052 0.000 0.816 188 L CB 1.705 43.716 42.059 -0.080 0.000 1.287 188 L HN 0.013 nan 8.230 nan 0.000 0.435 189 Q N 2.303 122.102 119.800 -0.003 0.000 2.222 189 Q HA 0.409 4.749 4.340 -0.000 0.000 0.252 189 Q C -2.361 173.656 176.000 0.028 0.000 0.926 189 Q CA -2.006 53.803 55.803 0.009 0.000 0.899 189 Q CB 1.498 30.242 28.738 0.011 0.000 1.250 189 Q HN 0.294 nan 8.270 nan 0.000 0.441 190 P HA 0.005 nan 4.420 nan 0.000 0.268 190 P C -0.259 177.068 177.300 0.045 0.000 1.204 190 P CA -0.487 62.642 63.100 0.050 0.000 0.768 190 P CB 0.559 32.285 31.700 0.043 0.000 0.842 191 L N 3.327 124.581 121.223 0.051 0.000 2.513 191 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 191 L C -0.061 176.829 176.870 0.034 0.000 1.187 191 L CA 0.640 55.503 54.840 0.039 0.000 0.895 191 L CB -0.502 41.578 42.059 0.034 0.000 1.147 191 L HN 0.279 nan 8.230 nan 0.000 0.483 192 D N 4.669 125.093 120.400 0.040 0.000 2.440 192 D HA 0.245 4.885 4.640 -0.000 0.000 0.239 192 D C -0.089 176.249 176.300 0.065 0.000 1.084 192 D CA -0.175 53.852 54.000 0.045 0.000 0.843 192 D CB 0.795 41.627 40.800 0.053 0.000 1.097 192 D HN 0.627 nan 8.370 nan 0.000 0.531 193 L N 3.185 124.433 121.223 0.042 0.000 2.848 193 L HA 0.108 4.448 4.340 -0.000 0.000 0.240 193 L C 1.884 178.782 176.870 0.047 0.000 1.232 193 L CA -0.137 54.733 54.840 0.051 0.000 1.031 193 L CB -0.157 41.911 42.059 0.016 0.000 1.338 193 L HN 0.397 nan 8.230 nan 0.000 0.509 194 S N -2.057 113.660 115.700 0.028 0.000 2.442 194 S HA -0.213 4.257 4.470 -0.000 0.000 0.236 194 S C 1.428 175.959 174.600 -0.116 0.000 1.007 194 S CA 0.951 59.113 58.200 -0.063 0.000 0.965 194 S CB -0.445 62.677 63.200 -0.129 0.000 0.773 194 S HN 0.545 nan 8.310 nan 0.000 0.504 195 H N 1.489 120.552 119.070 -0.011 0.000 2.547 195 H HA 0.368 4.924 4.556 -0.000 0.000 0.266 195 H C 0.570 175.889 175.328 -0.015 0.000 0.988 195 H CA 0.355 56.393 56.048 -0.017 0.000 1.147 195 H CB -0.114 29.634 29.762 -0.023 0.000 1.365 195 H HN 0.357 nan 8.280 nan 0.000 0.589 196 R N 0.853 121.401 120.500 0.080 0.000 3.651 196 R HA -0.134 4.206 4.340 -0.000 0.000 0.292 196 R C -0.723 175.623 176.300 0.076 0.000 1.161 196 R CA 0.839 56.975 56.100 0.061 0.000 0.787 196 R CB -1.778 28.548 30.300 0.043 0.000 1.249 196 R HN 0.537 nan 8.270 nan 0.000 0.476 197 D N -0.930 119.519 120.400 0.081 0.000 2.491 197 D HA 0.228 4.868 4.640 -0.000 0.000 0.228 197 D C 1.223 177.561 176.300 0.064 0.000 1.183 197 D CA 0.331 54.375 54.000 0.073 0.000 0.827 197 D CB 0.339 41.166 40.800 0.046 0.000 0.989 197 D HN 0.299 nan 8.370 nan 0.000 0.494 198 A N 0.346 123.199 122.820 0.055 0.000 1.972 198 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 198 A C 1.916 179.517 177.584 0.028 0.000 1.169 198 A CA 0.753 52.803 52.037 0.021 0.000 0.635 198 A CB -0.481 18.515 19.000 -0.006 0.000 0.810 198 A HN 0.287 nan 8.150 nan 0.000 0.446 199 L N -0.674 120.598 121.223 0.081 0.000 2.456 199 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 199 L C 2.628 179.552 176.870 0.091 0.000 1.148 199 L CA 1.231 56.131 54.840 0.101 0.000 0.825 199 L CB -0.477 41.694 42.059 0.185 0.000 0.937 199 L HN 0.384 nan 8.230 nan 0.000 0.450 200 A N -1.263 121.609 122.820 0.086 0.000 2.119 200 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 200 A C 2.094 179.698 177.584 0.034 0.000 1.152 200 A CA 0.953 53.034 52.037 0.073 0.000 0.708 200 A CB -0.219 18.823 19.000 0.071 0.000 0.805 200 A HN 0.398 nan 8.150 nan 0.000 0.460 201 L N -1.242 119.991 121.223 0.016 0.000 2.500 201 L HA 0.146 4.486 4.340 -0.000 0.000 0.219 201 L C -0.023 176.833 176.870 -0.023 0.000 1.057 201 L CA 0.195 55.030 54.840 -0.008 0.000 0.854 201 L CB 0.445 42.493 42.059 -0.018 0.000 1.078 201 L HN 0.032 nan 8.230 nan 0.000 0.480 202 V N 2.030 121.924 119.914 -0.033 0.000 2.247 202 V HA 0.397 4.517 4.120 -0.000 0.000 0.262 202 V C -0.488 175.586 176.094 -0.032 0.000 1.096 202 V CA -0.218 62.044 62.300 -0.063 0.000 0.895 202 V CB -0.119 31.628 31.823 -0.127 0.000 1.141 202 V HN 0.327 nan 8.190 nan 0.000 0.478 203 N N 1.975 120.668 118.700 -0.011 0.000 3.533 203 N HA 0.487 5.227 4.740 -0.000 0.000 0.229 203 N C -0.058 175.475 175.510 0.038 0.000 1.418 203 N CA 0.575 53.637 53.050 0.020 0.000 0.880 203 N CB 2.181 40.698 38.487 0.050 0.000 1.415 203 N HN 0.776 nan 8.380 nan 0.000 0.491 204 G N -0.008 108.846 108.800 0.091 0.000 2.697 204 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.240 204 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.240 204 G C 0.220 175.167 174.900 0.079 0.000 1.346 204 G CA 0.499 45.658 45.100 0.098 0.000 0.887 204 G HN 1.216 nan 8.290 nan 0.000 0.569 205 T N -2.999 111.586 114.554 0.052 0.000 3.258 205 T HA 0.567 4.917 4.350 -0.000 0.000 0.263 205 T C 1.809 176.515 174.700 0.011 0.000 0.983 205 T CA 0.927 63.049 62.100 0.037 0.000 0.907 205 T CB 0.421 69.307 68.868 0.030 0.000 1.096 205 T HN 0.816 nan 8.240 nan 0.000 0.556 206 S N 1.716 117.419 115.700 0.004 0.000 2.370 206 S HA -0.083 4.387 4.470 -0.000 0.000 0.226 206 S C 2.477 177.070 174.600 -0.012 0.000 1.033 206 S CA 1.307 59.501 58.200 -0.011 0.000 1.011 206 S CB -0.615 62.575 63.200 -0.016 0.000 0.852 206 S HN 0.837 nan 8.310 nan 0.000 0.457 207 A N 2.744 125.561 122.820 -0.005 0.000 1.841 207 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 207 A C 2.293 179.880 177.584 0.005 0.000 1.195 207 A CA 1.830 53.864 52.037 -0.004 0.000 0.611 207 A CB -0.852 18.148 19.000 -0.000 0.000 0.835 207 A HN 0.658 nan 8.150 nan 0.000 0.443 208 M N -1.394 118.214 119.600 0.013 0.000 2.149 208 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 208 M C 1.800 178.108 176.300 0.013 0.000 1.064 208 M CA 2.362 57.674 55.300 0.020 0.000 1.102 208 M CB -1.339 31.276 32.600 0.024 0.000 1.369 208 M HN 0.180 nan 8.290 nan 0.000 0.408 209 T N 1.092 115.645 114.554 -0.003 0.000 2.777 209 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 209 T C 1.969 176.665 174.700 -0.006 0.000 1.040 209 T CA 1.630 63.719 62.100 -0.018 0.000 1.141 209 T CB -0.734 68.115 68.868 -0.032 0.000 0.868 209 T HN 0.721 nan 8.240 nan 0.000 0.444 210 G N 1.245 110.041 108.800 -0.008 0.000 2.418 210 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 210 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 210 G C 1.523 176.436 174.900 0.022 0.000 1.158 210 G CA 0.456 45.552 45.100 -0.008 0.000 0.771 210 G HN 0.482 nan 8.290 nan 0.000 0.545 211 I N 1.390 121.979 120.570 0.031 0.000 2.226 211 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 211 I C 3.255 179.425 176.117 0.088 0.000 1.100 211 I CA 1.034 62.367 61.300 0.055 0.000 1.374 211 I CB -0.166 37.864 38.000 0.050 0.000 1.057 211 I HN 0.233 nan 8.210 nan 0.000 0.413 212 A N 1.185 124.059 122.820 0.090 0.000 1.969 212 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 212 A C 2.234 179.924 177.584 0.176 0.000 1.169 212 A CA 1.685 53.813 52.037 0.153 0.000 0.635 212 A CB -0.776 18.285 19.000 0.102 0.000 0.810 212 A HN 0.511 nan 8.150 nan 0.000 0.445 213 L N -2.118 119.171 121.223 0.109 0.000 2.156 213 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 213 L C 1.939 178.917 176.870 0.180 0.000 1.095 213 L CA 1.493 56.406 54.840 0.121 0.000 0.770 213 L CB -1.054 41.042 42.059 0.062 0.000 0.914 213 L HN -0.002 nan 8.230 nan 0.000 0.439 214 V N 0.805 120.824 119.914 0.175 0.000 2.453 214 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 214 V C 2.440 178.656 176.094 0.204 0.000 1.048 214 V CA 1.632 64.075 62.300 0.239 0.000 1.049 214 V CB -0.942 30.991 31.823 0.182 0.000 0.672 214 V HN 0.491 nan 8.190 nan 0.000 0.457 215 N N 0.952 119.747 118.700 0.158 0.000 2.120 215 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 215 N C 1.908 177.471 175.510 0.087 0.000 1.024 215 N CA 1.710 54.830 53.050 0.117 0.000 0.852 215 N CB -0.554 37.988 38.487 0.091 0.000 1.003 215 N HN 0.480 nan 8.380 nan 0.000 0.424 216 A N 0.241 123.138 122.820 0.128 0.000 1.902 216 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 216 A C 2.120 179.730 177.584 0.043 0.000 1.181 216 A CA 1.864 53.959 52.037 0.097 0.000 0.623 216 A CB -0.923 18.197 19.000 0.200 0.000 0.818 216 A HN 0.452 nan 8.150 nan 0.000 0.443 217 H N -0.216 118.830 119.070 -0.040 0.000 2.326 217 H HA 0.073 4.629 4.556 -0.000 0.000 0.301 217 H C 2.219 177.474 175.328 -0.122 0.000 1.081 217 H CA 1.885 57.827 56.048 -0.177 0.000 1.334 217 H CB -0.256 29.267 29.762 -0.397 0.000 1.385 217 H HN 0.391 nan 8.280 nan 0.000 0.504 218 A N -0.299 122.543 122.820 0.037 0.000 1.902 218 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 218 A C 2.719 180.288 177.584 -0.025 0.000 1.181 218 A CA 1.553 53.613 52.037 0.039 0.000 0.623 218 A CB -1.251 17.808 19.000 0.097 0.000 0.818 218 A HN 0.649 nan 8.150 nan 0.000 0.443 219 C N -1.343 117.960 119.300 0.005 0.000 2.422 219 C HA -0.038 4.422 4.460 -0.000 0.000 0.279 219 C C 2.788 177.749 174.990 -0.048 0.000 1.305 219 C CA 1.137 60.194 59.018 0.066 0.000 1.757 219 C CB -1.345 26.469 27.740 0.124 0.000 1.962 219 C HN 0.735 nan 8.230 nan 0.000 0.499 220 R N -0.043 120.336 120.500 -0.202 0.000 2.073 220 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 220 R C 2.269 178.362 176.300 -0.345 0.000 1.134 220 R CA 1.626 57.525 56.100 -0.335 0.000 0.952 220 R CB -0.440 29.567 30.300 -0.488 0.000 0.850 220 R HN 0.605 nan 8.270 nan 0.000 0.433 221 H N 0.508 119.437 119.070 -0.236 0.000 2.357 221 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 221 H C 2.181 177.485 175.328 -0.041 0.000 1.082 221 H CA 1.652 57.608 56.048 -0.153 0.000 1.342 221 H CB -0.201 29.473 29.762 -0.147 0.000 1.389 221 H HN 0.255 nan 8.280 nan 0.000 0.511 222 L N -0.185 120.999 121.223 -0.064 0.000 2.131 222 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 222 L C 2.737 179.439 176.870 -0.280 0.000 1.092 222 L CA 0.974 55.598 54.840 -0.360 0.000 0.759 222 L CB -0.718 40.739 42.059 -1.004 0.000 0.903 222 L HN 0.291 nan 8.230 nan 0.000 0.435 223 G N -0.057 108.706 108.800 -0.061 0.000 2.408 223 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 223 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 223 G C 1.399 176.378 174.900 0.132 0.000 1.150 223 G CA 0.452 45.690 45.100 0.229 0.000 0.776 223 G HN 0.309 nan 8.290 nan 0.000 0.542 224 N N 0.098 118.770 118.700 -0.046 0.000 2.188 224 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 224 N C 1.834 177.260 175.510 -0.140 0.000 1.018 224 N CA 0.833 53.805 53.050 -0.130 0.000 0.858 224 N CB -0.320 38.027 38.487 -0.233 0.000 0.989 224 N HN 0.583 nan 8.380 nan 0.000 0.426 225 W N 1.556 122.808 121.300 -0.080 0.000 2.418 225 W HA 0.083 4.743 4.660 -0.000 0.000 0.292 225 W C 2.479 178.971 176.519 -0.044 0.000 1.213 225 W CA 1.015 58.309 57.345 -0.084 0.000 1.283 225 W CB -0.344 29.021 29.460 -0.158 0.000 1.119 225 W HN 0.024 nan 8.180 nan 0.000 0.542 226 A N -0.199 122.744 122.820 0.204 0.000 1.933 226 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 226 A C 1.985 179.657 177.584 0.145 0.000 1.175 226 A CA 2.091 54.261 52.037 0.222 0.000 0.628 226 A CB -1.050 18.176 19.000 0.376 0.000 0.814 226 A HN 0.102 nan 8.150 nan 0.000 0.444 227 V N -0.418 119.567 119.914 0.119 0.000 2.323 227 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 227 V C 3.057 179.137 176.094 -0.023 0.000 1.041 227 V CA 1.793 64.107 62.300 0.022 0.000 1.025 227 V CB -1.106 30.740 31.823 0.038 0.000 0.656 227 V HN 0.605 nan 8.190 nan 0.000 0.451 228 A N -0.271 122.529 122.820 -0.033 0.000 1.933 228 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 228 A C 2.175 179.782 177.584 0.038 0.000 1.175 228 A CA 1.749 53.755 52.037 -0.051 0.000 0.628 228 A CB -0.502 18.384 19.000 -0.190 0.000 0.814 228 A HN 0.515 nan 8.150 nan 0.000 0.444 229 L N -1.156 120.129 121.223 0.103 0.000 2.179 229 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 229 L C 2.653 179.584 176.870 0.102 0.000 1.096 229 L CA 1.448 56.363 54.840 0.125 0.000 0.779 229 L CB -0.788 41.367 42.059 0.159 0.000 0.922 229 L HN 0.308 nan 8.230 nan 0.000 0.443 230 T N 0.125 114.730 114.554 0.084 0.000 2.777 230 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 230 T C 2.060 176.864 174.700 0.173 0.000 1.040 230 T CA 1.302 63.461 62.100 0.098 0.000 1.141 230 T CB -0.111 68.760 68.868 0.005 0.000 0.868 230 T HN 0.424 nan 8.240 nan 0.000 0.444 231 A N 1.321 124.207 122.820 0.111 0.000 1.877 231 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 231 A C 2.204 179.904 177.584 0.193 0.000 1.186 231 A CA 1.227 53.393 52.037 0.216 0.000 0.620 231 A CB -0.813 18.249 19.000 0.103 0.000 0.822 231 A HN 0.400 nan 8.150 nan 0.000 0.443 232 L N -0.755 120.540 121.223 0.120 0.000 2.141 232 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 232 L C 2.188 179.111 176.870 0.089 0.000 1.094 232 L CA 1.764 56.659 54.840 0.091 0.000 0.763 232 L CB -0.638 41.466 42.059 0.075 0.000 0.908 232 L HN 0.389 nan 8.230 nan 0.000 0.437 233 L N -0.221 121.066 121.223 0.107 0.000 2.046 233 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 233 L C 2.462 179.387 176.870 0.091 0.000 1.077 233 L CA 1.999 56.893 54.840 0.090 0.000 0.747 233 L CB -0.937 41.184 42.059 0.104 0.000 0.896 233 L HN 0.238 nan 8.230 nan 0.000 0.432 234 A N -0.876 122.030 122.820 0.144 0.000 1.972 234 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 234 A C 2.130 179.730 177.584 0.028 0.000 1.169 234 A CA 1.707 53.791 52.037 0.078 0.000 0.635 234 A CB -0.574 18.482 19.000 0.093 0.000 0.810 234 A HN 0.637 nan 8.150 nan 0.000 0.446 235 E N -1.189 119.043 120.200 0.053 0.000 2.347 235 E HA -0.093 4.256 4.350 -0.000 0.000 0.196 235 E C 1.485 178.094 176.600 0.015 0.000 1.008 235 E CA 0.816 57.232 56.400 0.027 0.000 0.852 235 E CB -0.192 29.531 29.700 0.039 0.000 0.783 235 E HN 0.682 nan 8.360 nan 0.000 0.505 236 C N -0.041 119.271 119.300 0.020 0.000 2.735 236 C HA 0.190 4.650 4.460 -0.000 0.000 0.271 236 C C 1.730 176.721 174.990 0.000 0.000 1.281 236 C CA -0.038 58.985 59.018 0.009 0.000 1.719 236 C CB -0.126 27.620 27.740 0.009 0.000 2.024 236 C HN 0.325 nan 8.230 nan 0.000 0.566 237 L N -0.216 121.007 121.223 0.001 0.000 3.122 237 L HA 0.288 4.628 4.340 -0.000 0.000 0.274 237 L C 0.432 177.289 176.870 -0.022 0.000 1.222 237 L CA -0.036 54.799 54.840 -0.008 0.000 1.028 237 L CB -0.233 41.826 42.059 -0.000 0.000 1.386 237 L HN 0.223 nan 8.230 nan 0.000 0.578 238 R N 0.766 121.248 120.500 -0.029 0.000 3.422 238 R HA -0.146 4.194 4.340 -0.000 0.000 0.267 238 R C 0.706 176.960 176.300 -0.078 0.000 1.074 238 R CA 0.418 56.489 56.100 -0.048 0.000 0.718 238 R CB -1.867 28.410 30.300 -0.037 0.000 1.157 238 R HN 0.500 nan 8.270 nan 0.000 0.440 239 G N 0.631 109.372 108.800 -0.098 0.000 2.554 239 G HA2 0.152 4.112 3.960 -0.000 0.000 0.238 239 G HA3 0.152 4.112 3.960 -0.000 0.000 0.238 239 G C 0.029 174.768 174.900 -0.269 0.000 1.259 239 G CA -0.488 44.510 45.100 -0.171 0.000 0.843 239 G HN 0.231 nan 8.290 nan 0.000 0.582 240 R N 0.371 120.684 120.500 -0.313 0.000 2.221 240 R HA 0.244 4.584 4.340 -0.000 0.000 0.327 240 R C 1.552 177.516 176.300 -0.561 0.000 1.033 240 R CA 0.219 56.123 56.100 -0.326 0.000 0.887 240 R CB 0.891 31.068 30.300 -0.206 0.000 1.057 240 R HN 0.702 nan 8.270 nan 0.000 0.455 241 T N -1.313 112.962 114.554 -0.465 0.000 3.088 241 T HA -0.115 4.235 4.350 -0.000 0.000 0.259 241 T C 1.402 175.944 174.700 -0.262 0.000 1.122 241 T CA 0.730 62.540 62.100 -0.484 0.000 1.095 241 T CB -0.014 68.724 68.868 -0.217 0.000 0.930 241 T HN 0.743 nan 8.240 nan 0.000 0.508 242 E N 1.789 121.876 120.200 -0.189 0.000 2.265 242 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 242 E C 2.182 178.753 176.600 -0.048 0.000 0.996 242 E CA 0.872 57.225 56.400 -0.078 0.000 0.832 242 E CB -0.520 29.150 29.700 -0.050 0.000 0.756 242 E HN 0.598 nan 8.360 nan 0.000 0.491 243 A N 0.710 123.455 122.820 -0.124 0.000 2.119 243 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 243 A C 0.977 178.703 177.584 0.236 0.000 1.153 243 A CA 0.595 52.632 52.037 0.000 0.000 0.692 243 A CB -0.576 18.396 19.000 -0.047 0.000 0.799 243 A HN 0.492 nan 8.150 nan 0.000 0.458 244 W N -0.240 121.059 121.300 -0.001 0.000 3.239 244 W HA 0.598 5.258 4.660 -0.000 0.000 0.368 244 W C 0.837 177.358 176.519 0.003 0.000 1.154 244 W CA -1.083 56.263 57.345 0.001 0.000 1.860 244 W CB -1.323 28.139 29.460 0.004 0.000 1.094 244 W HN 0.339 nan 8.180 nan 0.000 0.643 245 A N 0.862 123.792 122.820 0.184 0.000 2.498 245 A HA 0.423 4.743 4.320 -0.000 0.000 0.239 245 A C 1.695 179.335 177.584 0.092 0.000 1.068 245 A CA 0.698 52.801 52.037 0.110 0.000 0.766 245 A CB 0.562 19.601 19.000 0.064 0.000 1.003 245 A HN 0.255 nan 8.150 nan 0.000 0.497 246 A N 2.435 125.298 122.820 0.071 0.000 1.972 246 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 246 A C 2.343 179.950 177.584 0.040 0.000 1.169 246 A CA 2.232 54.300 52.037 0.052 0.000 0.635 246 A CB -0.930 18.095 19.000 0.041 0.000 0.810 246 A HN 1.763 nan 8.150 nan 0.000 0.446 247 A N -0.298 122.544 122.820 0.036 0.000 1.978 247 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 247 A C 2.117 179.715 177.584 0.024 0.000 1.170 247 A CA 1.513 53.565 52.037 0.025 0.000 0.636 247 A CB -0.520 18.493 19.000 0.022 0.000 0.810 247 A HN 0.499 nan 8.150 nan 0.000 0.448 248 L N -0.678 120.566 121.223 0.035 0.000 2.156 248 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 248 L C 2.764 179.651 176.870 0.028 0.000 1.095 248 L CA 1.244 56.104 54.840 0.032 0.000 0.770 248 L CB -0.339 41.749 42.059 0.048 0.000 0.914 248 L HN 0.329 nan 8.230 nan 0.000 0.439 249 S N -0.325 115.396 115.700 0.034 0.000 2.368 249 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 249 S C 1.469 176.075 174.600 0.010 0.000 1.029 249 S CA 1.213 59.430 58.200 0.029 0.000 0.988 249 S CB -0.242 62.979 63.200 0.035 0.000 0.838 249 S HN 0.435 nan 8.310 nan 0.000 0.462 250 D N 1.517 121.923 120.400 0.008 0.000 2.178 250 D HA -0.006 4.634 4.640 -0.000 0.000 0.201 250 D C 1.745 178.036 176.300 -0.016 0.000 0.980 250 D CA 0.672 54.670 54.000 -0.004 0.000 0.842 250 D CB -0.269 40.532 40.800 0.001 0.000 0.948 250 D HN 0.325 nan 8.370 nan 0.000 0.472 251 L N -0.498 120.719 121.223 -0.010 0.000 2.291 251 L HA 0.007 4.347 4.340 -0.000 0.000 0.214 251 L C 1.579 178.428 176.870 -0.035 0.000 1.120 251 L CA 0.569 55.399 54.840 -0.018 0.000 0.799 251 L CB 0.145 42.200 42.059 -0.007 0.000 0.925 251 L HN -0.167 nan 8.230 nan 0.000 0.446 252 R N 0.771 121.248 120.500 -0.038 0.000 2.644 252 R HA 0.189 4.529 4.340 -0.000 0.000 0.271 252 R C -2.233 174.002 176.300 -0.108 0.000 1.687 252 R CA -1.389 54.667 56.100 -0.074 0.000 1.655 252 R CB 0.871 31.168 30.300 -0.005 0.000 1.285 252 R HN -0.140 nan 8.270 nan 0.000 0.643 253 P HA -0.074 nan 4.420 nan 0.000 0.272 253 P C -0.702 176.523 177.300 -0.125 0.000 1.542 253 P CA 0.226 63.260 63.100 -0.110 0.000 0.846 253 P CB -0.366 31.281 31.700 -0.087 0.000 1.782 254 H N 0.944 120.014 119.070 0.001 0.000 2.819 254 H HA 0.104 4.660 4.556 -0.000 0.000 0.303 254 H C -1.326 174.013 175.328 0.019 0.000 1.058 254 H CA -1.572 54.478 56.048 0.005 0.000 1.471 254 H CB 0.619 30.378 29.762 -0.005 0.000 1.480 254 H HN 0.094 nan 8.280 nan 0.000 0.517 255 P HA -0.171 nan 4.420 nan 0.000 0.216 255 P C 1.653 179.027 177.300 0.124 0.000 1.157 255 P CA 1.755 64.918 63.100 0.104 0.000 0.880 255 P CB 0.117 31.872 31.700 0.092 0.000 0.791 256 G N -0.481 108.409 108.800 0.151 0.000 2.422 256 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 256 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 256 G C 1.671 176.662 174.900 0.151 0.000 1.146 256 G CA 0.784 46.001 45.100 0.196 0.000 0.769 256 G HN 0.335 nan 8.290 nan 0.000 0.547 257 Q N 0.106 119.962 119.800 0.094 0.000 2.083 257 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 257 Q C 2.461 178.490 176.000 0.048 0.000 0.969 257 Q CA 1.502 57.329 55.803 0.040 0.000 0.838 257 Q CB -0.200 28.578 28.738 0.066 0.000 0.900 257 Q HN 0.507 nan 8.270 nan 0.000 0.436 258 K N 0.208 120.650 120.400 0.069 0.000 2.063 258 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 258 K C 1.685 178.317 176.600 0.052 0.000 1.048 258 K CA 1.920 58.238 56.287 0.052 0.000 0.928 258 K CB -0.195 32.333 32.500 0.047 0.000 0.713 258 K HN 0.204 nan 8.250 nan 0.000 0.442 259 D N -0.132 120.316 120.400 0.080 0.000 2.097 259 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 259 D C 1.713 178.075 176.300 0.103 0.000 0.989 259 D CA 1.555 55.606 54.000 0.084 0.000 0.827 259 D CB -0.083 40.779 40.800 0.103 0.000 0.966 259 D HN 0.337 nan 8.370 nan 0.000 0.456 260 A N 0.592 123.503 122.820 0.151 0.000 1.883 260 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 260 A C 2.413 179.950 177.584 -0.079 0.000 1.186 260 A CA 2.478 54.567 52.037 0.088 0.000 0.624 260 A CB -1.233 17.719 19.000 -0.080 0.000 0.822 260 A HN 0.332 nan 8.150 nan 0.000 0.444 261 A N -0.213 122.559 122.820 -0.080 0.000 1.902 261 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 261 A C 2.529 180.091 177.584 -0.037 0.000 1.181 261 A CA 2.290 54.270 52.037 -0.096 0.000 0.623 261 A CB -1.085 17.916 19.000 0.002 0.000 0.818 261 A HN 1.111 nan 8.150 nan 0.000 0.443 262 A N -0.288 122.531 122.820 -0.000 0.000 1.902 262 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 262 A C 2.241 179.822 177.584 -0.004 0.000 1.181 262 A CA 1.666 53.712 52.037 0.014 0.000 0.623 262 A CB -0.454 18.556 19.000 0.017 0.000 0.818 262 A HN 0.546 nan 8.150 nan 0.000 0.443 263 R N -0.649 119.838 120.500 -0.022 0.000 2.096 263 R HA 0.012 4.352 4.340 -0.000 0.000 0.235 263 R C 2.038 178.295 176.300 -0.071 0.000 1.127 263 R CA 1.290 57.367 56.100 -0.038 0.000 0.968 263 R CB -0.441 29.845 30.300 -0.023 0.000 0.861 263 R HN 0.512 nan 8.270 nan 0.000 0.440 264 L N 0.108 121.237 121.223 -0.156 0.000 2.056 264 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 264 L C 2.533 179.407 176.870 0.008 0.000 1.078 264 L CA 1.385 56.057 54.840 -0.280 0.000 0.749 264 L CB -0.327 41.200 42.059 -0.888 0.000 0.901 264 L HN 0.152 nan 8.230 nan 0.000 0.433 265 R N -0.139 120.416 120.500 0.093 0.000 2.081 265 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 265 R C 2.392 178.754 176.300 0.103 0.000 1.131 265 R CA 1.377 57.584 56.100 0.178 0.000 0.960 265 R CB -0.517 29.866 30.300 0.139 0.000 0.856 265 R HN 0.361 nan 8.270 nan 0.000 0.436 266 A N 1.289 124.138 122.820 0.049 0.000 1.902 266 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 266 A C 2.049 179.648 177.584 0.025 0.000 1.181 266 A CA 1.041 53.094 52.037 0.026 0.000 0.623 266 A CB -0.258 18.742 19.000 0.001 0.000 0.818 266 A HN 0.097 nan 8.150 nan 0.000 0.443 267 R N -0.152 120.360 120.500 0.021 0.000 2.091 267 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 267 R C 1.935 178.268 176.300 0.055 0.000 1.136 267 R CA 1.787 57.898 56.100 0.019 0.000 0.959 267 R CB -1.369 28.934 30.300 0.004 0.000 0.856 267 R HN 0.672 nan 8.270 nan 0.000 0.437 268 V N -0.875 119.102 119.914 0.105 0.000 3.633 268 V HA 0.111 4.231 4.120 -0.000 0.000 0.283 268 V C 0.276 176.410 176.094 0.066 0.000 1.305 268 V CA -0.580 61.784 62.300 0.106 0.000 1.153 268 V CB -0.456 31.471 31.823 0.174 0.000 0.950 268 V HN -0.101 nan 8.190 nan 0.000 0.432 269 D N 1.653 122.085 120.400 0.053 0.000 2.458 269 D HA 0.398 5.038 4.640 -0.000 0.000 0.243 269 D C 1.455 177.768 176.300 0.021 0.000 1.146 269 D CA 1.866 55.886 54.000 0.034 0.000 0.877 269 D CB 0.635 41.452 40.800 0.027 0.000 1.176 269 D HN 0.570 nan 8.370 nan 0.000 0.461 270 G N 2.403 111.211 108.800 0.013 0.000 2.176 270 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 270 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 270 G C 0.451 175.354 174.900 0.005 0.000 0.979 270 G CA 0.430 45.534 45.100 0.008 0.000 0.641 270 G HN 0.816 nan 8.290 nan 0.000 0.530 271 S N 0.112 115.816 115.700 0.007 0.000 2.548 271 S HA 0.677 5.147 4.470 -0.000 0.000 0.277 271 S C 1.255 175.847 174.600 -0.014 0.000 1.315 271 S CA 0.771 58.972 58.200 0.003 0.000 1.050 271 S CB 1.369 64.576 63.200 0.013 0.000 0.918 271 S HN 1.604 nan 8.310 nan 0.000 0.497 272 A N 5.278 128.089 122.820 -0.015 0.000 2.390 272 A HA 0.324 4.644 4.320 -0.000 0.000 0.232 272 A C 1.757 179.322 177.584 -0.031 0.000 1.233 272 A CA -0.332 51.690 52.037 -0.026 0.000 0.907 272 A CB 0.066 19.056 19.000 -0.016 0.000 0.967 272 A HN 0.746 nan 8.150 nan 0.000 0.512 273 R N -0.058 120.427 120.500 -0.025 0.000 2.290 273 R HA 0.106 4.445 4.340 -0.000 0.000 0.197 273 R C 0.636 176.910 176.300 -0.044 0.000 0.913 273 R CA 0.787 56.872 56.100 -0.026 0.000 1.040 273 R CB -0.298 29.996 30.300 -0.010 0.000 0.992 273 R HN 0.490 nan 8.270 nan 0.000 0.500 274 V N -1.575 118.303 119.914 -0.061 0.000 2.837 274 V HA 0.465 4.585 4.120 -0.000 0.000 0.310 274 V C 0.485 176.501 176.094 -0.131 0.000 1.059 274 V CA -0.980 61.261 62.300 -0.098 0.000 1.004 274 V CB 2.080 33.837 31.823 -0.111 0.000 1.045 274 V HN -0.275 nan 8.190 nan 0.000 0.465 275 V N 3.881 123.701 119.914 -0.157 0.000 2.383 275 V HA 0.446 4.566 4.120 -0.000 0.000 0.275 275 V C 1.034 177.002 176.094 -0.211 0.000 1.036 275 V CA -0.215 61.977 62.300 -0.179 0.000 0.889 275 V CB 0.754 32.508 31.823 -0.116 0.000 0.985 275 V HN 0.939 nan 8.190 nan 0.000 0.459 276 R N 1.573 121.901 120.500 -0.286 0.000 2.365 276 R HA 0.217 4.557 4.340 -0.000 0.000 0.223 276 R C 0.134 176.348 176.300 -0.143 0.000 0.899 276 R CA -0.188 55.786 56.100 -0.210 0.000 1.059 276 R CB 0.231 30.421 30.300 -0.183 0.000 1.086 276 R HN 0.755 nan 8.270 nan 0.000 0.522 277 H N 0.199 119.243 119.070 -0.044 0.000 2.897 277 H HA 0.048 4.604 4.556 -0.000 0.000 0.347 277 H C -0.215 175.091 175.328 -0.038 0.000 1.068 277 H CA -0.351 55.676 56.048 -0.035 0.000 1.426 277 H CB 1.006 30.750 29.762 -0.030 0.000 1.410 277 H HN -0.184 nan 8.280 nan 0.000 0.597 278 V N 5.742 125.721 119.914 0.108 0.000 2.385 278 V HA -0.040 4.080 4.120 -0.000 0.000 0.269 278 V C 1.672 177.787 176.094 0.035 0.000 1.043 278 V CA 0.004 62.330 62.300 0.044 0.000 0.906 278 V CB 0.302 32.142 31.823 0.029 0.000 0.995 278 V HN 0.738 nan 8.190 nan 0.000 0.467 279 I N 3.150 123.732 120.570 0.021 0.000 2.361 279 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 279 I C 2.066 178.181 176.117 -0.003 0.000 1.133 279 I CA 1.927 63.232 61.300 0.008 0.000 1.413 279 I CB -0.242 37.761 38.000 0.004 0.000 1.073 279 I HN 0.558 nan 8.210 nan 0.000 0.424 280 A N 0.913 123.733 122.820 0.000 0.000 2.216 280 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 280 A C 2.103 179.683 177.584 -0.007 0.000 1.160 280 A CA 0.953 52.988 52.037 -0.003 0.000 0.725 280 A CB -0.512 18.489 19.000 0.000 0.000 0.784 280 A HN 0.496 nan 8.150 nan 0.000 0.472 281 E N 0.041 120.236 120.200 -0.008 0.000 2.208 281 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 281 E C 1.108 177.692 176.600 -0.027 0.000 0.988 281 E CA 0.211 56.602 56.400 -0.014 0.000 0.828 281 E CB -0.178 29.513 29.700 -0.014 0.000 0.763 281 E HN 0.620 nan 8.360 nan 0.000 0.478 282 R N 1.666 122.146 120.500 -0.033 0.000 2.401 282 R HA 0.096 4.436 4.340 -0.000 0.000 0.299 282 R C -0.350 175.934 176.300 -0.026 0.000 1.064 282 R CA -0.041 56.036 56.100 -0.039 0.000 1.000 282 R CB 0.445 30.718 30.300 -0.045 0.000 0.973 282 R HN -0.133 nan 8.270 nan 0.000 0.438 283 R N 5.123 125.607 120.500 -0.026 0.000 2.294 283 R HA 0.296 4.636 4.340 -0.000 0.000 0.319 283 R C -0.471 175.818 176.300 -0.019 0.000 0.984 283 R CA -0.624 55.465 56.100 -0.019 0.000 0.861 283 R CB 1.226 31.515 30.300 -0.017 0.000 1.104 283 R HN 0.473 nan 8.270 nan 0.000 0.451 284 L N 2.694 123.908 121.223 -0.015 0.000 2.350 284 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 284 L C 0.213 177.076 176.870 -0.012 0.000 1.099 284 L CA -0.363 54.469 54.840 -0.014 0.000 0.808 284 L CB 0.820 42.873 42.059 -0.011 0.000 1.149 284 L HN 0.441 nan 8.230 nan 0.000 0.442 285 D N 0.563 120.955 120.400 -0.012 0.000 2.340 285 D HA 0.312 4.952 4.640 -0.000 0.000 0.243 285 D C 0.623 176.918 176.300 -0.009 0.000 0.988 285 D CA -0.365 53.629 54.000 -0.010 0.000 0.959 285 D CB 2.111 42.905 40.800 -0.011 0.000 1.226 285 D HN 0.563 nan 8.370 nan 0.000 0.509 286 A N 1.143 123.959 122.820 -0.007 0.000 1.917 286 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 286 A C 1.949 179.530 177.584 -0.006 0.000 1.182 286 A CA 2.325 54.358 52.037 -0.006 0.000 0.633 286 A CB -1.082 17.915 19.000 -0.005 0.000 0.819 286 A HN 0.655 nan 8.150 nan 0.000 0.448 287 G N -0.772 108.024 108.800 -0.007 0.000 2.498 287 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 287 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 287 G C 0.975 175.871 174.900 -0.008 0.000 1.119 287 G CA 1.090 46.185 45.100 -0.007 0.000 0.766 287 G HN 0.534 nan 8.290 nan 0.000 0.552 288 D N 0.366 120.761 120.400 -0.009 0.000 2.289 288 D HA -0.006 4.634 4.640 -0.000 0.000 0.207 288 D C 1.123 177.418 176.300 -0.008 0.000 0.966 288 D CA 0.025 54.019 54.000 -0.009 0.000 0.868 288 D CB 0.272 41.065 40.800 -0.012 0.000 0.943 288 D HN 0.139 nan 8.370 nan 0.000 0.514 289 I N 1.570 122.136 120.570 -0.007 0.000 2.752 289 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 289 I C 1.377 177.490 176.117 -0.005 0.000 1.180 289 I CA 0.893 62.189 61.300 -0.006 0.000 1.404 289 I CB -0.244 37.752 38.000 -0.005 0.000 1.389 289 I HN -0.003 nan 8.210 nan 0.000 0.549 290 G N 5.572 114.369 108.800 -0.005 0.000 2.367 290 G HA2 0.158 4.118 3.960 -0.000 0.000 0.272 290 G HA3 0.158 4.118 3.960 -0.000 0.000 0.272 290 G C -1.120 173.777 174.900 -0.005 0.000 1.271 290 G CA -0.661 44.436 45.100 -0.005 0.000 0.893 290 G HN 0.367 nan 8.290 nan 0.000 0.485 291 T N 2.065 116.616 114.554 -0.005 0.000 2.733 291 T HA 0.544 4.894 4.350 -0.000 0.000 0.294 291 T C -0.118 174.578 174.700 -0.005 0.000 0.956 291 T CA -0.189 61.908 62.100 -0.005 0.000 0.987 291 T CB 1.230 70.095 68.868 -0.005 0.000 0.920 291 T HN 0.432 nan 8.240 nan 0.000 0.470 292 E N 3.243 123.440 120.200 -0.006 0.000 2.283 292 E HA 0.197 4.547 4.350 -0.000 0.000 0.267 292 E C -1.299 175.297 176.600 -0.006 0.000 1.045 292 E CA -2.019 54.377 56.400 -0.006 0.000 0.884 292 E CB 0.672 30.368 29.700 -0.006 0.000 1.106 292 E HN 0.324 nan 8.360 nan 0.000 0.408 293 P HA -0.151 nan 4.420 nan 0.000 0.216 293 P C -0.533 176.763 177.300 -0.007 0.000 1.153 293 P CA 1.453 64.549 63.100 -0.006 0.000 0.858 293 P CB 0.299 31.996 31.700 -0.005 0.000 0.789 294 E N -1.495 118.701 120.200 -0.007 0.000 2.343 294 E HA 0.603 4.953 4.350 -0.000 0.000 0.270 294 E C -0.953 175.644 176.600 -0.006 0.000 0.895 294 E CA -1.164 55.231 56.400 -0.007 0.000 0.767 294 E CB 2.083 31.778 29.700 -0.008 0.000 1.248 294 E HN -0.094 nan 8.360 nan 0.000 0.440 295 A N 0.643 123.460 122.820 -0.006 0.000 2.366 295 A HA 0.435 4.755 4.320 -0.000 0.000 0.249 295 A C 1.183 178.766 177.584 -0.002 0.000 1.084 295 A CA 0.305 52.340 52.037 -0.002 0.000 0.794 295 A CB 0.172 19.172 19.000 -0.000 0.000 1.034 295 A HN 0.793 nan 8.150 nan 0.000 0.491 296 G N -0.493 108.307 108.800 0.001 0.000 2.679 296 G HA2 0.229 4.189 3.960 -0.000 0.000 0.212 296 G HA3 0.229 4.189 3.960 -0.000 0.000 0.212 296 G C 0.508 175.407 174.900 -0.002 0.000 1.137 296 G CA 0.469 45.569 45.100 -0.000 0.000 0.787 296 G HN 0.734 nan 8.290 nan 0.000 0.534 297 Q N -0.072 119.732 119.800 0.006 0.000 2.433 297 Q HA 0.349 4.689 4.340 -0.000 0.000 0.279 297 Q C -1.429 174.582 176.000 0.018 0.000 1.105 297 Q CA -1.046 54.764 55.803 0.011 0.000 0.815 297 Q CB 1.958 30.719 28.738 0.039 0.000 1.403 297 Q HN 0.019 nan 8.270 nan 0.000 0.435 298 D N 0.503 120.914 120.400 0.020 0.000 2.387 298 D HA 0.412 5.052 4.640 -0.000 0.000 0.251 298 D C -0.284 176.073 176.300 0.094 0.000 1.141 298 D CA -0.211 53.808 54.000 0.032 0.000 0.987 298 D CB 0.907 41.713 40.800 0.010 0.000 1.116 298 D HN 0.619 nan 8.370 nan 0.000 0.491 299 A N 0.365 123.229 122.820 0.073 0.000 2.386 299 A HA 0.021 4.341 4.320 -0.000 0.000 0.246 299 A C 0.593 178.317 177.584 0.233 0.000 1.089 299 A CA -0.095 51.986 52.037 0.074 0.000 0.790 299 A CB -0.080 18.925 19.000 0.009 0.000 1.042 299 A HN 0.538 nan 8.150 nan 0.000 0.497 300 Y N 0.949 121.266 120.300 0.028 0.000 2.315 300 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 300 Y C 2.889 178.822 175.900 0.055 0.000 1.154 300 Y CA 1.514 59.637 58.100 0.039 0.000 1.229 300 Y CB -1.350 37.124 38.460 0.023 0.000 0.980 300 Y HN 0.751 nan 8.280 nan 0.000 0.540 301 S N -1.055 114.769 115.700 0.207 0.000 2.500 301 S HA -0.103 4.367 4.470 -0.000 0.000 0.239 301 S C 1.750 176.452 174.600 0.170 0.000 0.989 301 S CA 1.097 59.385 58.200 0.147 0.000 0.951 301 S CB -0.536 62.725 63.200 0.102 0.000 0.759 301 S HN 0.471 nan 8.310 nan 0.000 0.523 302 L N -0.489 120.857 121.223 0.206 0.000 2.588 302 L HA 0.367 4.707 4.340 -0.000 0.000 0.194 302 L C 2.706 179.798 176.870 0.370 0.000 1.070 302 L CA 0.188 55.202 54.840 0.290 0.000 0.852 302 L CB -0.189 41.983 42.059 0.188 0.000 1.199 302 L HN 0.164 nan 8.230 nan 0.000 0.486 303 R N -0.045 120.595 120.500 0.233 0.000 2.096 303 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 303 R C 1.523 177.926 176.300 0.171 0.000 1.127 303 R CA 1.761 57.972 56.100 0.187 0.000 0.968 303 R CB -0.180 30.194 30.300 0.124 0.000 0.861 303 R HN 0.381 nan 8.270 nan 0.000 0.440 304 C N 0.308 119.666 119.300 0.097 0.000 2.688 304 C HA 0.440 4.900 4.460 -0.000 0.000 0.297 304 C C 2.094 177.087 174.990 0.005 0.000 1.308 304 C CA -0.377 58.632 59.018 -0.015 0.000 1.726 304 C CB -0.417 27.221 27.740 -0.170 0.000 1.982 304 C HN 0.628 nan 8.230 nan 0.000 0.604 305 A N 2.675 125.537 122.820 0.071 0.000 1.883 305 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 305 A C 0.030 177.515 177.584 -0.166 0.000 1.186 305 A CA 1.784 53.794 52.037 -0.045 0.000 0.624 305 A CB -1.594 17.374 19.000 -0.053 0.000 0.822 305 A HN 0.407 nan 8.150 nan 0.000 0.444 306 P HA -0.165 nan 4.420 nan 0.000 0.215 306 P C 1.255 178.466 177.300 -0.148 0.000 1.153 306 P CA 1.584 64.573 63.100 -0.183 0.000 0.853 306 P CB -0.053 31.589 31.700 -0.096 0.000 0.788 307 Q N -1.099 118.637 119.800 -0.106 0.000 2.083 307 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 307 Q C 2.124 178.031 176.000 -0.154 0.000 0.969 307 Q CA 1.157 56.895 55.803 -0.108 0.000 0.838 307 Q CB -1.318 27.369 28.738 -0.087 0.000 0.900 307 Q HN 0.099 nan 8.270 nan 0.000 0.436 308 V N 0.313 120.134 119.914 -0.155 0.000 2.283 308 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 308 V C 2.087 178.024 176.094 -0.262 0.000 1.039 308 V CA 1.408 63.608 62.300 -0.168 0.000 1.016 308 V CB -0.593 31.160 31.823 -0.116 0.000 0.650 308 V HN 0.298 nan 8.190 nan 0.000 0.449 309 L N 0.593 121.610 121.223 -0.343 0.000 2.042 309 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 309 L C 2.666 179.000 176.870 -0.894 0.000 1.076 309 L CA 1.820 56.269 54.840 -0.653 0.000 0.749 309 L CB -1.230 40.425 42.059 -0.674 0.000 0.893 309 L HN 0.492 nan 8.230 nan 0.000 0.432 310 G N -0.402 108.086 108.800 -0.519 0.000 2.442 310 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 310 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 310 G C 1.756 176.548 174.900 -0.180 0.000 1.141 310 G CA 0.843 45.770 45.100 -0.289 0.000 0.763 310 G HN 0.480 nan 8.290 nan 0.000 0.554 311 A N 0.753 123.448 122.820 -0.209 0.000 1.930 311 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 311 A C 2.682 180.206 177.584 -0.100 0.000 1.175 311 A CA 1.930 53.867 52.037 -0.166 0.000 0.627 311 A CB -0.908 17.983 19.000 -0.182 0.000 0.815 311 A HN 0.493 nan 8.150 nan 0.000 0.443 312 G N -0.955 107.754 108.800 -0.151 0.000 2.418 312 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.217 312 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.217 312 G C 1.279 176.278 174.900 0.164 0.000 1.158 312 G CA 1.054 46.119 45.100 -0.059 0.000 0.771 312 G HN 0.379 nan 8.290 nan 0.000 0.545 313 F N 1.661 121.616 119.950 0.008 0.000 2.186 313 F HA 0.047 4.574 4.527 -0.000 0.000 0.299 313 F C 2.285 178.111 175.800 0.043 0.000 1.090 313 F CA 0.326 58.343 58.000 0.029 0.000 1.307 313 F CB -0.604 38.406 39.000 0.018 0.000 1.019 313 F HN 0.120 nan 8.300 nan 0.000 0.489 314 D N -0.587 119.940 120.400 0.212 0.000 2.183 314 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 314 D C 2.188 178.597 176.300 0.183 0.000 0.969 314 D CA 1.337 55.429 54.000 0.154 0.000 0.842 314 D CB -0.308 40.532 40.800 0.066 0.000 0.957 314 D HN 0.199 nan 8.370 nan 0.000 0.484 315 T N 1.151 115.805 114.554 0.168 0.000 2.812 315 T HA -0.104 4.246 4.350 -0.000 0.000 0.264 315 T C 1.892 176.761 174.700 0.282 0.000 1.042 315 T CA 0.334 62.573 62.100 0.233 0.000 1.140 315 T CB -0.157 68.800 68.868 0.150 0.000 0.870 315 T HN 0.040 nan 8.240 nan 0.000 0.445 316 L N 1.534 122.881 121.223 0.207 0.000 2.093 316 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 316 L C 2.547 179.534 176.870 0.195 0.000 1.085 316 L CA 1.637 56.572 54.840 0.158 0.000 0.755 316 L CB -1.006 41.126 42.059 0.121 0.000 0.904 316 L HN 0.208 nan 8.230 nan 0.000 0.435 317 A N -1.137 121.800 122.820 0.196 0.000 1.902 317 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 317 A C 2.129 179.851 177.584 0.230 0.000 1.181 317 A CA 1.727 53.869 52.037 0.175 0.000 0.623 317 A CB -1.443 17.653 19.000 0.159 0.000 0.818 317 A HN 0.732 nan 8.150 nan 0.000 0.443 318 W N 0.385 121.744 121.300 0.098 0.000 2.355 318 W HA -0.187 4.473 4.660 -0.000 0.000 0.309 318 W C 2.266 178.853 176.519 0.113 0.000 1.206 318 W CA 1.935 59.334 57.345 0.089 0.000 1.284 318 W CB -0.711 28.795 29.460 0.077 0.000 1.145 318 W HN 0.629 nan 8.180 nan 0.000 0.502 319 H N 0.164 119.184 119.070 -0.084 0.000 2.319 319 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 319 H C 1.370 176.584 175.328 -0.190 0.000 1.092 319 H CA 2.401 58.289 56.048 -0.266 0.000 1.302 319 H CB -0.561 29.158 29.762 -0.072 0.000 1.373 319 H HN 0.060 nan 8.280 nan 0.000 0.497 320 D N 0.263 120.722 120.400 0.098 0.000 2.178 320 D HA -0.075 4.565 4.640 -0.000 0.000 0.202 320 D C 2.597 178.864 176.300 -0.055 0.000 0.974 320 D CA 0.571 54.594 54.000 0.038 0.000 0.841 320 D CB -0.204 40.659 40.800 0.105 0.000 0.953 320 D HN 0.385 nan 8.370 nan 0.000 0.478 321 R N 0.247 120.720 120.500 -0.044 0.000 2.073 321 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 321 R C 2.322 178.556 176.300 -0.110 0.000 1.134 321 R CA 0.761 56.843 56.100 -0.032 0.000 0.952 321 R CB -0.436 29.891 30.300 0.045 0.000 0.850 321 R HN 0.101 nan 8.270 nan 0.000 0.433 322 V N 1.410 121.174 119.914 -0.251 0.000 2.358 322 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 322 V C 2.224 178.165 176.094 -0.256 0.000 1.047 322 V CA 1.380 63.512 62.300 -0.279 0.000 1.035 322 V CB -0.439 31.098 31.823 -0.478 0.000 0.658 322 V HN 0.233 nan 8.190 nan 0.000 0.452 323 L N 0.058 121.087 121.223 -0.323 0.000 2.083 323 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 323 L C 2.435 179.211 176.870 -0.156 0.000 1.083 323 L CA 2.351 57.026 54.840 -0.274 0.000 0.752 323 L CB -0.994 40.852 42.059 -0.356 0.000 0.899 323 L HN 0.336 nan 8.230 nan 0.000 0.433 324 T N -0.175 114.312 114.554 -0.111 0.000 2.788 324 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 324 T C 1.967 176.640 174.700 -0.046 0.000 1.044 324 T CA 1.945 64.012 62.100 -0.056 0.000 1.139 324 T CB -0.284 68.592 68.868 0.013 0.000 0.867 324 T HN 0.319 nan 8.240 nan 0.000 0.454 325 I N 0.680 121.214 120.570 -0.060 0.000 2.202 325 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 325 I C 2.719 178.778 176.117 -0.097 0.000 1.091 325 I CA 1.255 62.517 61.300 -0.063 0.000 1.368 325 I CB -0.294 37.648 38.000 -0.097 0.000 1.058 325 I HN 0.199 nan 8.210 nan 0.000 0.410 326 E N 1.319 121.440 120.200 -0.132 0.000 2.058 326 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 326 E C 2.037 178.581 176.600 -0.093 0.000 0.997 326 E CA 1.374 57.699 56.400 -0.126 0.000 0.801 326 E CB -0.319 29.303 29.700 -0.131 0.000 0.746 326 E HN 0.305 nan 8.360 nan 0.000 0.450 327 L N 1.018 122.184 121.223 -0.094 0.000 2.079 327 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 327 L C 1.257 178.074 176.870 -0.087 0.000 1.081 327 L CA 1.876 56.663 54.840 -0.088 0.000 0.752 327 L CB -0.483 41.516 42.059 -0.099 0.000 0.896 327 L HN 0.159 nan 8.230 nan 0.000 0.433 328 N N -0.116 118.531 118.700 -0.088 0.000 2.322 328 N HA 0.181 4.921 4.740 -0.000 0.000 0.194 328 N C 0.362 175.851 175.510 -0.035 0.000 1.126 328 N CA 0.625 53.636 53.050 -0.066 0.000 0.845 328 N CB 0.210 38.671 38.487 -0.043 0.000 0.976 328 N HN 0.439 nan 8.380 nan 0.000 0.475 329 A N 0.248 123.039 122.820 -0.049 0.000 2.248 329 A HA 0.583 4.903 4.320 -0.000 0.000 0.316 329 A C -0.014 177.546 177.584 -0.041 0.000 1.101 329 A CA -0.382 51.626 52.037 -0.049 0.000 0.875 329 A CB 1.018 19.973 19.000 -0.076 0.000 1.207 329 A HN -0.041 nan 8.150 nan 0.000 0.504 330 V N 1.131 121.021 119.914 -0.040 0.000 2.328 330 V HA 0.308 4.428 4.120 -0.000 0.000 0.278 330 V C 0.824 176.895 176.094 -0.039 0.000 1.021 330 V CA 0.370 62.651 62.300 -0.030 0.000 0.838 330 V CB 0.765 32.572 31.823 -0.027 0.000 0.999 330 V HN 1.036 nan 8.190 nan 0.000 0.447 331 T N -0.660 113.881 114.554 -0.022 0.000 3.145 331 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 331 T C 0.183 174.907 174.700 0.040 0.000 1.039 331 T CA -0.529 61.565 62.100 -0.011 0.000 0.928 331 T CB -0.315 68.556 68.868 0.005 0.000 1.029 331 T HN 0.538 nan 8.240 nan 0.000 0.554 332 D N 2.580 122.995 120.400 0.024 0.000 2.357 332 D HA 0.477 5.117 4.640 -0.000 0.000 0.242 332 D C -0.053 176.273 176.300 0.043 0.000 1.153 332 D CA 0.110 54.138 54.000 0.046 0.000 0.918 332 D CB 0.425 41.229 40.800 0.007 0.000 1.181 332 D HN 0.313 nan 8.370 nan 0.000 0.435 333 N N 0.104 118.853 118.700 0.081 0.000 2.503 333 N HA 0.292 5.032 4.740 -0.000 0.000 0.287 333 N C -2.929 172.598 175.510 0.029 0.000 1.096 333 N CA -1.341 51.732 53.050 0.038 0.000 0.936 333 N CB 1.911 40.551 38.487 0.256 0.000 1.570 333 N HN 0.023 nan 8.380 nan 0.000 0.504 334 P HA 0.369 nan 4.420 nan 0.000 0.293 334 P C -0.954 176.032 177.300 -0.523 0.000 1.304 334 P CA -0.468 62.369 63.100 -0.437 0.000 0.767 334 P CB 0.978 32.229 31.700 -0.749 0.000 1.247 335 V N -3.836 115.691 119.914 -0.646 0.000 2.962 335 V HA 0.620 4.740 4.120 -0.000 0.000 0.313 335 V C -1.058 174.586 176.094 -0.751 0.000 1.099 335 V CA -0.935 61.011 62.300 -0.591 0.000 0.971 335 V CB 1.609 33.277 31.823 -0.257 0.000 1.028 335 V HN 0.213 nan 8.190 nan 0.000 0.430 336 F N 2.402 122.338 119.950 -0.025 0.000 2.325 336 F HA 0.611 5.138 4.527 -0.000 0.000 0.369 336 F C -2.369 173.426 175.800 -0.009 0.000 1.095 336 F CA -2.612 55.381 58.000 -0.012 0.000 1.082 336 F CB 1.234 40.232 39.000 -0.002 0.000 1.289 336 F HN 0.291 nan 8.300 nan 0.000 0.462 337 P HA -0.008 nan 4.420 nan 0.000 0.256 337 P C -1.973 175.370 177.300 0.072 0.000 1.173 337 P CA -0.590 62.543 63.100 0.055 0.000 0.768 337 P CB 0.443 32.163 31.700 0.034 0.000 0.758 338 P HA -0.178 nan 4.420 nan 0.000 0.218 338 P C 0.844 178.164 177.300 0.034 0.000 1.148 338 P CA 1.339 64.466 63.100 0.045 0.000 0.822 338 P CB -0.110 31.609 31.700 0.033 0.000 0.784 339 D N -1.516 118.901 120.400 0.028 0.000 2.371 339 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 339 D C 1.423 177.739 176.300 0.026 0.000 0.986 339 D CA 0.853 54.866 54.000 0.022 0.000 0.899 339 D CB -1.259 39.550 40.800 0.016 0.000 0.902 339 D HN 0.185 nan 8.370 nan 0.000 0.530 340 G N 0.188 109.010 108.800 0.037 0.000 2.168 340 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.257 340 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.257 340 G C 1.225 176.147 174.900 0.037 0.000 0.997 340 G CA 1.146 46.270 45.100 0.040 0.000 0.708 340 G HN 0.615 nan 8.290 nan 0.000 0.520 341 S N -1.401 114.318 115.700 0.032 0.000 2.359 341 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 341 S C 1.265 175.885 174.600 0.034 0.000 1.035 341 S CA 1.926 60.142 58.200 0.027 0.000 1.018 341 S CB -0.460 62.752 63.200 0.020 0.000 0.876 341 S HN 2.004 nan 8.310 nan 0.000 0.448 342 V N -3.245 116.694 119.914 0.043 0.000 3.130 342 V HA 0.569 4.689 4.120 -0.000 0.000 0.310 342 V C -2.502 173.640 176.094 0.080 0.000 1.158 342 V CA -2.158 60.173 62.300 0.053 0.000 1.029 342 V CB 1.142 32.992 31.823 0.045 0.000 1.057 342 V HN -0.105 nan 8.190 nan 0.000 0.436 343 P HA 0.247 nan 4.420 nan 0.000 0.217 343 P C 0.245 177.676 177.300 0.219 0.000 1.150 343 P CA 2.050 65.240 63.100 0.150 0.000 0.832 343 P CB 0.168 31.953 31.700 0.142 0.000 0.787 344 A N -1.986 120.911 122.820 0.130 0.000 2.597 344 A HA 0.621 4.941 4.320 -0.000 0.000 0.292 344 A C -1.924 175.632 177.584 -0.047 0.000 1.057 344 A CA -0.544 51.487 52.037 -0.009 0.000 0.674 344 A CB 0.372 19.342 19.000 -0.049 0.000 1.278 344 A HN -0.055 nan 8.150 nan 0.000 0.416 345 L N 1.135 122.242 121.223 -0.194 0.000 2.362 345 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 345 L C -1.030 175.679 176.870 -0.268 0.000 1.002 345 L CA -0.699 54.071 54.840 -0.116 0.000 0.818 345 L CB 2.206 44.204 42.059 -0.101 0.000 1.298 345 L HN 0.849 nan 8.230 nan 0.000 0.420 346 H N 1.074 120.087 119.070 -0.096 0.000 2.505 346 H HA 0.753 5.309 4.556 0.000 0.000 0.338 346 H C 0.154 175.431 175.328 -0.086 0.000 1.057 346 H CA -0.149 55.843 56.048 -0.093 0.000 1.202 346 H CB 1.981 31.686 29.762 -0.096 0.000 1.466 346 H HN 0.742 nan 8.280 nan 0.000 0.499 347 G N 0.646 109.437 108.800 -0.015 0.000 2.793 347 G HA2 0.445 4.405 3.960 -0.000 0.000 0.248 347 G HA3 0.445 4.405 3.960 -0.000 0.000 0.248 347 G C -0.295 174.505 174.900 -0.166 0.000 1.198 347 G CA -0.288 44.767 45.100 -0.074 0.000 0.865 347 G HN 0.671 nan 8.290 nan 0.000 0.534 348 G N 0.013 108.578 108.800 -0.393 0.000 4.716 348 G HA2 0.291 4.251 3.960 -0.000 0.000 0.282 348 G HA3 0.291 4.251 3.960 -0.000 0.000 0.282 348 G C 0.250 174.518 174.900 -1.052 0.000 1.173 348 G CA -0.128 44.351 45.100 -1.035 0.000 0.913 348 G HN 0.264 nan 8.290 nan 0.000 0.566 349 N N 0.868 119.190 118.700 -0.630 0.000 2.609 349 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 349 N C 1.517 176.856 175.510 -0.285 0.000 1.157 349 N CA 0.362 53.196 53.050 -0.359 0.000 0.918 349 N CB -0.160 38.215 38.487 -0.187 0.000 0.978 349 N HN 0.635 nan 8.380 nan 0.000 0.448 350 F N -1.178 118.754 119.950 -0.031 0.000 2.789 350 F HA 0.319 4.846 4.527 -0.000 0.000 0.300 350 F C 0.848 176.644 175.800 -0.006 0.000 1.132 350 F CA -0.759 57.228 58.000 -0.021 0.000 1.404 350 F CB -0.693 38.293 39.000 -0.022 0.000 1.114 350 F HN -0.164 nan 8.300 nan 0.000 0.584 351 M N 2.788 122.311 119.600 -0.129 0.000 2.435 351 M HA 0.339 4.819 4.480 -0.000 0.000 0.338 351 M C 0.961 177.293 176.300 0.053 0.000 1.628 351 M CA -0.622 54.703 55.300 0.041 0.000 1.215 351 M CB 0.169 32.715 32.600 -0.091 0.000 1.905 351 M HN 0.234 nan 8.290 nan 0.000 0.457 352 G N 3.529 112.385 108.800 0.093 0.000 3.452 352 G HA2 0.036 3.996 3.960 -0.000 0.000 0.258 352 G HA3 0.036 3.996 3.960 -0.000 0.000 0.258 352 G C 0.681 175.615 174.900 0.057 0.000 1.305 352 G CA -0.193 44.950 45.100 0.071 0.000 1.514 352 G HN 0.818 nan 8.290 nan 0.000 0.593 353 Q N -0.025 119.804 119.800 0.048 0.000 2.167 353 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 353 Q C 1.918 177.880 176.000 -0.062 0.000 0.970 353 Q CA 1.447 57.244 55.803 -0.010 0.000 0.855 353 Q CB -0.112 28.597 28.738 -0.048 0.000 0.911 353 Q HN 0.724 nan 8.270 nan 0.000 0.438 354 H N -1.780 117.266 119.070 -0.041 0.000 2.326 354 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 354 H C 1.802 177.049 175.328 -0.134 0.000 1.081 354 H CA 1.751 57.748 56.048 -0.085 0.000 1.334 354 H CB -0.033 29.665 29.762 -0.106 0.000 1.385 354 H HN 0.064 nan 8.280 nan 0.000 0.504 355 V N 0.520 120.440 119.914 0.010 0.000 2.515 355 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 355 V C 2.451 178.534 176.094 -0.018 0.000 1.058 355 V CA 1.371 63.639 62.300 -0.052 0.000 1.064 355 V CB -0.862 30.943 31.823 -0.031 0.000 0.675 355 V HN 0.567 nan 8.190 nan 0.000 0.461 356 A N 0.007 122.829 122.820 0.003 0.000 1.858 356 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 356 A C 2.190 179.790 177.584 0.026 0.000 1.190 356 A CA 1.740 53.790 52.037 0.022 0.000 0.617 356 A CB -0.507 18.507 19.000 0.024 0.000 0.827 356 A HN 0.478 nan 8.150 nan 0.000 0.443 357 L N -0.089 121.139 121.223 0.008 0.000 2.093 357 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 357 L C 2.982 179.910 176.870 0.097 0.000 1.085 357 L CA 1.805 56.683 54.840 0.063 0.000 0.755 357 L CB -0.915 41.192 42.059 0.080 0.000 0.904 357 L HN 0.665 nan 8.230 nan 0.000 0.435 358 T N -4.613 109.899 114.554 -0.070 0.000 2.904 358 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 358 T C 2.022 176.805 174.700 0.138 0.000 1.059 358 T CA 1.222 63.232 62.100 -0.149 0.000 1.137 358 T CB -0.219 68.330 68.868 -0.532 0.000 0.879 358 T HN 0.121 nan 8.240 nan 0.000 0.467 359 S N 1.651 117.426 115.700 0.125 0.000 2.368 359 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 359 S C 1.852 176.519 174.600 0.112 0.000 1.029 359 S CA 1.199 59.495 58.200 0.160 0.000 0.988 359 S CB -0.534 62.734 63.200 0.114 0.000 0.838 359 S HN 0.511 nan 8.310 nan 0.000 0.462 360 D N 1.651 122.110 120.400 0.099 0.000 2.117 360 D HA -0.002 4.638 4.640 -0.000 0.000 0.197 360 D C 2.116 178.472 176.300 0.095 0.000 0.987 360 D CA 1.214 55.265 54.000 0.084 0.000 0.829 360 D CB -0.421 40.423 40.800 0.073 0.000 0.961 360 D HN 0.372 nan 8.370 nan 0.000 0.460 361 A N 0.594 123.507 122.820 0.155 0.000 1.898 361 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 361 A C 2.137 179.797 177.584 0.126 0.000 1.181 361 A CA 0.921 53.066 52.037 0.181 0.000 0.620 361 A CB -0.647 18.583 19.000 0.383 0.000 0.819 361 A HN 0.247 nan 8.150 nan 0.000 0.442 362 L N -0.239 121.055 121.223 0.119 0.000 2.093 362 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 362 L C 2.628 179.490 176.870 -0.014 0.000 1.085 362 L CA 2.010 56.865 54.840 0.026 0.000 0.755 362 L CB -0.807 41.196 42.059 -0.093 0.000 0.904 362 L HN 0.337 nan 8.230 nan 0.000 0.435 363 A N -1.445 121.380 122.820 0.009 0.000 1.908 363 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 363 A C 2.269 179.829 177.584 -0.039 0.000 1.181 363 A CA 2.397 54.430 52.037 -0.007 0.000 0.627 363 A CB -1.234 17.778 19.000 0.022 0.000 0.818 363 A HN 0.507 nan 8.150 nan 0.000 0.445 364 T N 0.227 114.768 114.554 -0.022 0.000 2.708 364 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 364 T C 2.233 176.879 174.700 -0.091 0.000 1.037 364 T CA 1.615 63.689 62.100 -0.043 0.000 1.146 364 T CB -0.471 68.387 68.868 -0.017 0.000 0.865 364 T HN 0.611 nan 8.240 nan 0.000 0.435 365 A N 0.937 123.705 122.820 -0.087 0.000 1.902 365 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 365 A C 2.584 179.999 177.584 -0.282 0.000 1.181 365 A CA 1.329 53.282 52.037 -0.138 0.000 0.623 365 A CB -1.025 17.931 19.000 -0.074 0.000 0.818 365 A HN 0.354 nan 8.150 nan 0.000 0.443 366 V N -0.247 119.485 119.914 -0.303 0.000 2.343 366 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 366 V C 2.745 178.503 176.094 -0.559 0.000 1.051 366 V CA 2.479 64.444 62.300 -0.558 0.000 1.036 366 V CB -1.198 30.469 31.823 -0.261 0.000 0.654 366 V HN 0.618 nan 8.190 nan 0.000 0.451 367 T N -0.216 114.164 114.554 -0.291 0.000 2.788 367 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 367 T C 1.930 176.494 174.700 -0.227 0.000 1.044 367 T CA 1.536 63.509 62.100 -0.211 0.000 1.139 367 T CB -0.176 68.626 68.868 -0.110 0.000 0.867 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.112 120.890 119.914 -0.227 0.000 2.358 368 V HA -0.084 4.036 4.120 -0.000 0.000 0.246 368 V C 2.373 178.323 176.094 -0.239 0.000 1.047 368 V CA 1.285 63.472 62.300 -0.188 0.000 1.035 368 V CB -0.530 31.199 31.823 -0.157 0.000 0.658 368 V HN 0.317 nan 8.190 nan 0.000 0.452 369 L N 0.286 121.271 121.223 -0.397 0.000 2.141 369 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 369 L C 2.535 179.188 176.870 -0.361 0.000 1.094 369 L CA 1.996 56.595 54.840 -0.401 0.000 0.763 369 L CB -1.137 40.568 42.059 -0.590 0.000 0.908 369 L HN 0.280 nan 8.230 nan 0.000 0.437 370 A N -0.566 121.900 122.820 -0.589 0.000 1.930 370 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 370 A C 2.421 179.976 177.584 -0.049 0.000 1.175 370 A CA 1.473 53.358 52.037 -0.253 0.000 0.627 370 A CB -1.213 17.652 19.000 -0.224 0.000 0.815 370 A HN 0.416 nan 8.150 nan 0.000 0.443 371 G N -0.048 108.696 108.800 -0.094 0.000 2.422 371 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.218 371 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.218 371 G C 1.478 176.378 174.900 -0.001 0.000 1.146 371 G CA 1.186 46.266 45.100 -0.034 0.000 0.769 371 G HN 0.529 nan 8.290 nan 0.000 0.547 372 L N 1.424 122.641 121.223 -0.010 0.000 2.017 372 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 372 L C 2.987 179.898 176.870 0.067 0.000 1.073 372 L CA 2.337 57.193 54.840 0.027 0.000 0.745 372 L CB -0.790 41.276 42.059 0.013 0.000 0.894 372 L HN 0.208 nan 8.230 nan 0.000 0.432 373 A N -0.874 122.011 122.820 0.108 0.000 1.933 373 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 373 A C 2.328 179.969 177.584 0.096 0.000 1.175 373 A CA 1.676 53.797 52.037 0.139 0.000 0.628 373 A CB -0.765 18.379 19.000 0.240 0.000 0.814 373 A HN 0.603 nan 8.150 nan 0.000 0.444 374 E N -0.030 120.219 120.200 0.082 0.000 2.110 374 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 374 E C 2.029 178.660 176.600 0.053 0.000 0.988 374 E CA 0.811 57.249 56.400 0.063 0.000 0.804 374 E CB -0.197 29.535 29.700 0.052 0.000 0.745 374 E HN 0.372 nan 8.360 nan 0.000 0.458 375 R N 0.324 120.853 120.500 0.048 0.000 2.148 375 R HA -0.020 4.320 4.340 -0.000 0.000 0.223 375 R C 2.343 178.670 176.300 0.045 0.000 1.088 375 R CA 0.727 56.853 56.100 0.042 0.000 0.985 375 R CB -0.342 29.981 30.300 0.038 0.000 0.880 375 R HN 0.389 nan 8.270 nan 0.000 0.451 376 Q N 0.016 119.849 119.800 0.055 0.000 2.119 376 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 376 Q C 2.142 178.164 176.000 0.037 0.000 0.972 376 Q CA 1.085 56.920 55.803 0.054 0.000 0.847 376 Q CB -0.044 28.736 28.738 0.069 0.000 0.903 376 Q HN 0.306 nan 8.270 nan 0.000 0.433 377 I N 0.487 121.079 120.570 0.038 0.000 2.252 377 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 377 I C 2.390 178.531 176.117 0.041 0.000 1.102 377 I CA 0.849 62.165 61.300 0.027 0.000 1.385 377 I CB -0.383 37.638 38.000 0.035 0.000 1.064 377 I HN 0.136 nan 8.210 nan 0.000 0.414 378 A N 0.779 123.629 122.820 0.050 0.000 1.972 378 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 378 A C 2.435 180.033 177.584 0.024 0.000 1.169 378 A CA 1.855 53.924 52.037 0.054 0.000 0.635 378 A CB -0.596 18.433 19.000 0.049 0.000 0.810 378 A HN 0.403 nan 8.150 nan 0.000 0.446 379 R N -1.055 119.453 120.500 0.014 0.000 2.066 379 R HA 0.025 4.365 4.340 -0.000 0.000 0.224 379 R C 2.008 178.295 176.300 -0.021 0.000 1.122 379 R CA 1.186 57.283 56.100 -0.004 0.000 0.974 379 R CB -0.394 29.911 30.300 0.008 0.000 0.871 379 R HN 0.374 nan 8.270 nan 0.000 0.435 380 L N 1.356 122.571 121.223 -0.012 0.000 2.127 380 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 380 L C 1.929 178.771 176.870 -0.046 0.000 1.089 380 L CA 2.422 57.247 54.840 -0.025 0.000 0.757 380 L CB -0.462 41.583 42.059 -0.024 0.000 0.899 380 L HN 0.446 nan 8.230 nan 0.000 0.434 381 T N -4.349 110.179 114.554 -0.042 0.000 3.107 381 T HA 0.031 4.381 4.350 -0.000 0.000 0.249 381 T C 0.738 175.235 174.700 -0.337 0.000 1.096 381 T CA -0.127 61.923 62.100 -0.084 0.000 1.012 381 T CB -0.444 68.496 68.868 0.120 0.000 0.977 381 T HN 0.243 nan 8.240 nan 0.000 0.527 382 D N 2.653 122.916 120.400 -0.228 0.000 2.347 382 D HA 0.073 4.713 4.640 -0.000 0.000 0.235 382 D C 1.318 177.496 176.300 -0.204 0.000 1.149 382 D CA -0.281 53.562 54.000 -0.262 0.000 0.850 382 D CB 1.258 41.984 40.800 -0.124 0.000 1.061 382 D HN 0.614 nan 8.370 nan 0.000 0.487 383 E N 3.298 123.351 120.200 -0.245 0.000 2.267 383 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 383 E C 1.079 177.629 176.600 -0.083 0.000 0.998 383 E CA 0.800 57.119 56.400 -0.136 0.000 0.830 383 E CB 0.089 29.723 29.700 -0.111 0.000 0.751 383 E HN 0.369 nan 8.360 nan 0.000 0.491 384 R N 0.019 120.471 120.500 -0.081 0.000 2.240 384 R HA 0.163 4.503 4.340 -0.000 0.000 0.203 384 R C 1.817 178.091 176.300 -0.044 0.000 1.011 384 R CA 0.607 56.677 56.100 -0.050 0.000 1.007 384 R CB 0.165 30.441 30.300 -0.040 0.000 0.911 384 R HN 0.275 nan 8.270 nan 0.000 0.468 385 L N 0.163 121.353 121.223 -0.054 0.000 2.749 385 L HA 0.111 4.451 4.340 -0.000 0.000 0.242 385 L C 0.667 177.514 176.870 -0.038 0.000 1.103 385 L CA -0.085 54.730 54.840 -0.041 0.000 0.906 385 L CB 0.141 42.177 42.059 -0.038 0.000 1.228 385 L HN 0.123 nan 8.230 nan 0.000 0.517 386 N N 0.844 119.515 118.700 -0.049 0.000 2.362 386 N HA -0.044 4.696 4.740 -0.000 0.000 0.204 386 N C 0.064 175.556 175.510 -0.030 0.000 1.166 386 N CA -0.267 52.759 53.050 -0.040 0.000 0.831 386 N CB -0.174 38.282 38.487 -0.052 0.000 1.008 386 N HN 0.064 nan 8.380 nan 0.000 0.472 387 R N -0.527 119.957 120.500 -0.028 0.000 3.264 387 R HA -0.167 4.173 4.340 -0.000 0.000 0.251 387 R C 0.770 177.059 176.300 -0.019 0.000 0.971 387 R CA 0.488 56.575 56.100 -0.021 0.000 0.658 387 R CB -2.038 28.251 30.300 -0.018 0.000 1.095 387 R HN 0.637 nan 8.270 nan 0.000 0.443 388 G N -1.032 107.755 108.800 -0.020 0.000 2.194 388 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.236 388 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.236 388 G C 0.250 175.139 174.900 -0.019 0.000 0.987 388 G CA 0.036 45.126 45.100 -0.016 0.000 0.635 388 G HN 0.253 nan 8.290 nan 0.000 0.520 389 L N 1.564 122.772 121.223 -0.025 0.000 2.436 389 L HA 0.420 4.760 4.340 -0.000 0.000 0.265 389 L C -1.650 175.203 176.870 -0.028 0.000 1.168 389 L CA -2.023 52.801 54.840 -0.027 0.000 0.815 389 L CB 0.625 42.668 42.059 -0.026 0.000 1.109 389 L HN -0.096 nan 8.230 nan 0.000 0.462 390 P HA 0.028 nan 4.420 nan 0.000 0.267 390 P C -2.447 174.880 177.300 0.046 0.000 1.200 390 P CA -0.832 62.257 63.100 -0.018 0.000 0.772 390 P CB -0.173 31.404 31.700 -0.205 0.000 0.855 391 P HA -0.025 nan 4.420 nan 0.000 0.262 391 P C -0.243 177.143 177.300 0.144 0.000 1.199 391 P CA 0.389 63.465 63.100 -0.041 0.000 0.763 391 P CB -0.186 31.538 31.700 0.039 0.000 0.790 392 F N 1.688 121.736 119.950 0.163 0.000 3.034 392 F HA -0.244 4.283 4.527 -0.000 0.000 0.286 392 F C 1.323 177.294 175.800 0.284 0.000 0.804 392 F CA 0.366 58.486 58.000 0.199 0.000 1.161 392 F CB -2.611 36.498 39.000 0.181 0.000 1.317 392 F HN 0.275 nan 8.300 nan 0.000 0.453 393 L N -1.699 119.693 121.223 0.282 0.000 3.839 393 L HA -0.317 4.023 4.340 -0.000 0.000 0.416 393 L C 1.354 178.382 176.870 0.264 0.000 1.195 393 L CA 1.033 56.014 54.840 0.235 0.000 0.946 393 L CB -2.025 40.187 42.059 0.254 0.000 1.891 393 L HN 0.701 nan 8.230 nan 0.000 0.963 394 H N 0.502 119.698 119.070 0.210 0.000 2.660 394 H HA 0.675 5.231 4.556 -0.000 0.000 0.374 394 H C 0.253 175.637 175.328 0.094 0.000 1.291 394 H CA -0.426 55.701 56.048 0.132 0.000 1.437 394 H CB 0.894 30.723 29.762 0.111 0.000 1.509 394 H HN 0.295 nan 8.280 nan 0.000 0.614 395 R N -0.330 120.200 120.500 0.051 0.000 2.837 395 R HA 0.471 4.811 4.340 -0.000 0.000 0.271 395 R C -0.446 175.952 176.300 0.163 0.000 0.993 395 R CA -0.231 55.865 56.100 -0.005 0.000 0.931 395 R CB 2.260 32.570 30.300 0.016 0.000 1.206 395 R HN 1.127 nan 8.270 nan 0.000 0.474 396 G N 1.697 110.566 108.800 0.115 0.000 2.757 396 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.638 396 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.638 396 G C -2.753 172.266 174.900 0.199 0.000 1.344 396 G CA -1.274 43.903 45.100 0.127 0.000 0.855 396 G HN 0.383 nan 8.290 nan 0.000 0.537 397 P HA 0.440 nan 4.420 nan 0.000 0.264 397 P C 0.478 177.808 177.300 0.050 0.000 1.193 397 P CA 0.855 64.014 63.100 0.098 0.000 0.763 397 P CB 0.640 32.366 31.700 0.044 0.000 0.810 398 A N 3.502 126.349 122.820 0.045 0.000 2.445 398 A HA 0.470 4.790 4.320 -0.000 0.000 0.242 398 A C 1.618 179.110 177.584 -0.153 0.000 1.075 398 A CA 0.799 52.697 52.037 -0.233 0.000 0.777 398 A CB -0.943 18.027 19.000 -0.050 0.000 1.013 398 A HN 0.812 nan 8.150 nan 0.000 0.493 399 G N 0.260 108.942 108.800 -0.196 0.000 3.329 399 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 399 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 399 G C 1.077 175.924 174.900 -0.089 0.000 1.358 399 G CA 0.549 45.590 45.100 -0.099 0.000 0.856 399 G HN 0.878 nan 8.290 nan 0.000 0.551 400 L N 1.026 122.206 121.223 -0.071 0.000 2.201 400 L HA 0.150 4.490 4.340 -0.000 0.000 0.212 400 L C 0.811 177.647 176.870 -0.058 0.000 1.105 400 L CA 0.868 55.679 54.840 -0.048 0.000 0.775 400 L CB -0.266 41.780 42.059 -0.022 0.000 0.913 400 L HN 0.313 nan 8.230 nan 0.000 0.440 401 N N -1.486 117.157 118.700 -0.095 0.000 2.258 401 N HA 0.215 4.955 4.740 -0.000 0.000 0.299 401 N C -0.113 175.306 175.510 -0.151 0.000 1.047 401 N CA -0.137 52.865 53.050 -0.079 0.000 0.814 401 N CB 2.156 40.658 38.487 0.024 0.000 1.413 401 N HN -0.232 nan 8.380 nan 0.000 0.478 402 S N 0.061 115.713 115.700 -0.081 0.000 2.559 402 S HA 0.260 4.730 4.470 -0.000 0.000 0.226 402 S C 1.240 175.862 174.600 0.036 0.000 1.000 402 S CA 0.070 58.228 58.200 -0.069 0.000 0.948 402 S CB 0.526 63.639 63.200 -0.145 0.000 0.870 402 S HN 0.938 nan 8.310 nan 0.000 0.497 403 G N 2.433 111.259 108.800 0.044 0.000 2.596 403 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.304 403 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.304 403 G C 0.210 175.005 174.900 -0.175 0.000 1.189 403 G CA 0.714 45.816 45.100 0.002 0.000 0.986 403 G HN 0.455 nan 8.290 nan 0.000 0.548 404 F N 1.329 121.359 119.950 0.134 0.000 2.664 404 F HA 0.485 5.012 4.527 -0.000 0.000 0.301 404 F C 2.366 178.187 175.800 0.035 0.000 1.126 404 F CA 0.905 58.958 58.000 0.089 0.000 1.373 404 F CB 0.193 39.265 39.000 0.119 0.000 1.042 404 F HN 0.332 nan 8.300 nan 0.000 0.535 405 M N 0.022 119.602 119.600 -0.033 0.000 2.149 405 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 405 M C 2.363 178.524 176.300 -0.230 0.000 1.064 405 M CA 2.254 57.257 55.300 -0.495 0.000 1.102 405 M CB -0.434 31.610 32.600 -0.927 0.000 1.369 405 M HN 0.304 nan 8.290 nan 0.000 0.408 406 G N -0.865 107.860 108.800 -0.126 0.000 2.394 406 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 406 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 406 G C 1.490 176.392 174.900 0.003 0.000 1.176 406 G CA 0.701 45.760 45.100 -0.069 0.000 0.786 406 G HN 0.612 nan 8.290 nan 0.000 0.533 407 A N 0.000 122.859 122.820 0.065 0.000 1.940 407 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 407 A C 2.271 179.922 177.584 0.111 0.000 1.176 407 A CA 2.055 54.163 52.037 0.118 0.000 0.631 407 A CB -0.419 18.732 19.000 0.252 0.000 0.814 407 A HN 0.390 nan 8.150 nan 0.000 0.446 408 Q N 0.048 119.928 119.800 0.133 0.000 2.084 408 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 408 Q C 2.090 178.141 176.000 0.085 0.000 0.978 408 Q CA 2.019 57.901 55.803 0.131 0.000 0.844 408 Q CB -0.275 28.594 28.738 0.219 0.000 0.898 408 Q HN 0.434 nan 8.270 nan 0.000 0.426 409 V N 0.530 120.475 119.914 0.050 0.000 2.427 409 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 409 V C 2.347 178.460 176.094 0.030 0.000 1.051 409 V CA 1.998 64.317 62.300 0.032 0.000 1.048 409 V CB -0.801 31.022 31.823 -0.000 0.000 0.666 409 V HN 0.370 nan 8.190 nan 0.000 0.456 410 T N 0.429 115.001 114.554 0.031 0.000 2.788 410 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 410 T C 2.067 176.789 174.700 0.036 0.000 1.044 410 T CA 1.584 63.701 62.100 0.029 0.000 1.139 410 T CB -0.354 68.531 68.868 0.028 0.000 0.867 410 T HN 0.574 nan 8.240 nan 0.000 0.454 411 A N 1.193 124.040 122.820 0.046 0.000 1.902 411 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 411 A C 2.543 180.155 177.584 0.047 0.000 1.181 411 A CA 2.054 54.120 52.037 0.049 0.000 0.623 411 A CB -1.176 17.858 19.000 0.055 0.000 0.818 411 A HN 0.474 nan 8.150 nan 0.000 0.443 412 T N 0.270 114.851 114.554 0.045 0.000 2.788 412 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 412 T C 2.191 176.909 174.700 0.031 0.000 1.044 412 T CA 1.475 63.599 62.100 0.039 0.000 1.139 412 T CB -0.395 68.496 68.868 0.039 0.000 0.867 412 T HN 0.592 nan 8.240 nan 0.000 0.454 413 A N 1.186 124.023 122.820 0.028 0.000 1.930 413 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 413 A C 2.286 179.885 177.584 0.025 0.000 1.175 413 A CA 1.043 53.094 52.037 0.023 0.000 0.627 413 A CB -0.752 18.260 19.000 0.019 0.000 0.815 413 A HN 0.470 nan 8.150 nan 0.000 0.443 414 L N -1.130 120.112 121.223 0.031 0.000 2.056 414 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 414 L C 2.559 179.450 176.870 0.036 0.000 1.078 414 L CA 1.158 56.020 54.840 0.036 0.000 0.749 414 L CB -0.532 41.554 42.059 0.045 0.000 0.901 414 L HN 0.472 nan 8.230 nan 0.000 0.433 415 L N 0.290 121.534 121.223 0.035 0.000 2.056 415 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 415 L C 2.644 179.523 176.870 0.015 0.000 1.078 415 L CA 1.934 56.788 54.840 0.025 0.000 0.749 415 L CB -0.672 41.401 42.059 0.023 0.000 0.901 415 L HN 0.126 nan 8.230 nan 0.000 0.433 416 A N -0.844 121.986 122.820 0.017 0.000 1.940 416 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 416 A C 2.338 179.929 177.584 0.013 0.000 1.176 416 A CA 1.920 53.965 52.037 0.013 0.000 0.631 416 A CB -0.732 18.276 19.000 0.014 0.000 0.814 416 A HN 0.641 nan 8.150 nan 0.000 0.446 417 E N -0.723 119.486 120.200 0.016 0.000 2.106 417 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 417 E C 2.041 178.650 176.600 0.016 0.000 0.984 417 E CA 1.130 57.540 56.400 0.016 0.000 0.806 417 E CB -0.186 29.526 29.700 0.020 0.000 0.750 417 E HN 0.676 nan 8.360 nan 0.000 0.458 418 M N 0.045 119.655 119.600 0.017 0.000 2.108 418 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 418 M C 2.316 178.619 176.300 0.005 0.000 1.066 418 M CA 1.583 56.891 55.300 0.013 0.000 1.107 418 M CB -0.204 32.400 32.600 0.007 0.000 1.356 418 M HN 0.013 nan 8.290 nan 0.000 0.406 419 R N 0.090 120.591 120.500 0.001 0.000 2.193 419 R HA -0.055 4.285 4.340 -0.000 0.000 0.229 419 R C 2.208 178.512 176.300 0.007 0.000 1.110 419 R CA 1.174 57.274 56.100 -0.001 0.000 0.988 419 R CB -0.494 29.804 30.300 -0.003 0.000 0.871 419 R HN 0.385 nan 8.270 nan 0.000 0.458 420 A N 0.561 123.387 122.820 0.010 0.000 2.067 420 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 420 A C 0.834 178.428 177.584 0.018 0.000 1.158 420 A CA 0.972 53.016 52.037 0.013 0.000 0.661 420 A CB 0.057 19.064 19.000 0.011 0.000 0.801 420 A HN 0.117 nan 8.150 nan 0.000 0.452 421 T N -0.011 114.554 114.554 0.020 0.000 2.771 421 T HA 0.555 4.905 4.350 -0.000 0.000 0.281 421 T C 0.434 175.156 174.700 0.036 0.000 0.982 421 T CA 0.059 62.176 62.100 0.028 0.000 0.978 421 T CB 1.539 70.423 68.868 0.026 0.000 0.930 421 T HN 0.378 nan 8.240 nan 0.000 0.447 422 G N 2.925 111.759 108.800 0.056 0.000 2.971 422 G HA2 0.677 4.637 3.960 -0.000 0.000 0.235 422 G HA3 0.677 4.637 3.960 -0.000 0.000 0.235 422 G C -2.648 172.298 174.900 0.077 0.000 1.351 422 G CA -1.591 43.544 45.100 0.060 0.000 1.039 422 G HN 0.443 nan 8.290 nan 0.000 0.563 423 P HA 0.245 nan 4.420 nan 0.000 0.265 423 P C 0.322 177.686 177.300 0.106 0.000 1.187 423 P CA 0.438 63.573 63.100 0.059 0.000 0.766 423 P CB 1.288 32.998 31.700 0.016 0.000 0.820 424 A N 2.105 124.991 122.820 0.109 0.000 2.044 424 A HA -0.034 4.286 4.320 -0.000 0.000 0.213 424 A C 2.084 179.743 177.584 0.125 0.000 1.169 424 A CA 0.977 53.119 52.037 0.175 0.000 0.724 424 A CB -0.945 18.126 19.000 0.118 0.000 0.840 424 A HN 0.471 nan 8.150 nan 0.000 0.463 425 S N 0.621 116.348 115.700 0.045 0.000 2.400 425 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 425 S C 1.692 176.260 174.600 -0.053 0.000 1.025 425 S CA 1.607 59.812 58.200 0.009 0.000 0.993 425 S CB -0.691 62.513 63.200 0.006 0.000 0.808 425 S HN 0.793 nan 8.310 nan 0.000 0.478 426 I N -1.303 119.164 120.570 -0.172 0.000 3.334 426 I HA 0.043 4.213 4.170 -0.000 0.000 0.282 426 I C 0.739 176.636 176.117 -0.367 0.000 1.313 426 I CA 1.018 62.152 61.300 -0.277 0.000 1.396 426 I CB -0.361 37.429 38.000 -0.351 0.000 1.054 426 I HN 0.166 nan 8.210 nan 0.000 0.495 427 H N 1.133 120.213 119.070 0.018 0.000 2.524 427 H HA 0.311 4.867 4.556 -0.000 0.000 0.299 427 H C 0.692 176.031 175.328 0.019 0.000 1.074 427 H CA -0.220 55.839 56.048 0.018 0.000 1.115 427 H CB 0.110 29.883 29.762 0.018 0.000 1.522 427 H HN 0.319 nan 8.280 nan 0.000 0.543 428 S N 1.180 116.925 115.700 0.075 0.000 2.552 428 S HA 0.194 4.664 4.470 -0.000 0.000 0.289 428 S C 0.278 174.917 174.600 0.064 0.000 1.304 428 S CA -0.192 58.047 58.200 0.065 0.000 1.063 428 S CB 0.034 63.257 63.200 0.039 0.000 0.848 428 S HN 0.291 nan 8.310 nan 0.000 0.499 429 I N 3.250 123.856 120.570 0.060 0.000 2.533 429 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 429 I C 0.041 176.184 176.117 0.043 0.000 1.056 429 I CA -0.655 60.676 61.300 0.051 0.000 1.057 429 I CB 2.151 40.181 38.000 0.051 0.000 1.240 429 I HN 0.592 nan 8.210 nan 0.000 0.423 430 S N 3.960 119.682 115.700 0.037 0.000 2.525 430 S HA 0.268 4.738 4.470 -0.000 0.000 0.285 430 S C -0.213 174.408 174.600 0.035 0.000 1.283 430 S CA 0.422 58.643 58.200 0.035 0.000 1.072 430 S CB 0.286 63.504 63.200 0.030 0.000 0.867 430 S HN 0.776 nan 8.310 nan 0.000 0.492 431 T N 3.038 117.614 114.554 0.037 0.000 2.647 431 T HA 0.411 4.761 4.350 -0.000 0.000 0.295 431 T C -0.326 174.395 174.700 0.035 0.000 1.126 431 T CA -0.096 62.024 62.100 0.035 0.000 1.040 431 T CB 0.795 69.684 68.868 0.036 0.000 1.472 431 T HN 0.915 nan 8.240 nan 0.000 0.500 432 N N 0.594 119.315 118.700 0.034 0.000 2.738 432 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 432 N C 0.275 175.805 175.510 0.034 0.000 1.047 432 N CA 0.830 53.902 53.050 0.036 0.000 0.707 432 N CB -1.199 37.313 38.487 0.042 0.000 0.937 432 N HN 1.588 nan 8.380 nan 0.000 0.545 433 A N -0.766 122.071 122.820 0.028 0.000 2.791 433 A HA 0.021 4.341 4.320 -0.000 0.000 0.292 433 A C 1.334 178.934 177.584 0.027 0.000 1.487 433 A CA 2.002 54.054 52.037 0.025 0.000 0.760 433 A CB -2.282 16.732 19.000 0.023 0.000 1.031 433 A HN 2.251 nan 8.150 nan 0.000 0.503 434 A N -2.294 120.543 122.820 0.029 0.000 3.413 434 A HA -0.369 3.951 4.320 -0.000 0.000 0.268 434 A C 1.407 179.011 177.584 0.034 0.000 1.128 434 A CA 2.107 54.162 52.037 0.030 0.000 1.062 434 A CB -2.531 16.484 19.000 0.025 0.000 1.121 434 A HN 2.249 nan 8.150 nan 0.000 0.895 435 N N -0.034 118.689 118.700 0.038 0.000 2.142 435 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 435 N C 0.997 176.537 175.510 0.051 0.000 1.023 435 N CA 1.835 54.911 53.050 0.044 0.000 0.852 435 N CB -0.159 38.358 38.487 0.049 0.000 0.998 435 N HN 0.750 nan 8.380 nan 0.000 0.424 436 Q N 0.561 120.392 119.800 0.051 0.000 3.091 436 Q HA 0.063 4.402 4.340 -0.000 0.000 0.301 436 Q C -0.419 175.613 176.000 0.054 0.000 1.337 436 Q CA -0.271 55.568 55.803 0.061 0.000 1.083 436 Q CB 0.529 29.299 28.738 0.054 0.000 1.477 436 Q HN 0.516 nan 8.270 nan 0.000 0.537 437 D N -0.466 119.964 120.400 0.050 0.000 2.348 437 D HA -0.074 4.565 4.640 -0.000 0.000 0.216 437 D C 0.623 176.947 176.300 0.041 0.000 0.970 437 D CA 0.387 54.411 54.000 0.041 0.000 0.889 437 D CB 0.113 40.933 40.800 0.033 0.000 0.912 437 D HN 0.200 nan 8.370 nan 0.000 0.524 438 V N -1.753 118.190 119.914 0.049 0.000 2.760 438 V HA 0.753 4.872 4.120 -0.000 0.000 0.309 438 V C -0.409 175.723 176.094 0.063 0.000 1.077 438 V CA -1.193 61.135 62.300 0.047 0.000 0.910 438 V CB 1.845 33.690 31.823 0.036 0.000 1.008 438 V HN 0.105 nan 8.190 nan 0.000 0.424 439 V N 0.902 120.852 119.914 0.060 0.000 3.007 439 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 439 V C 1.007 177.138 176.094 0.062 0.000 1.120 439 V CA 0.267 62.611 62.300 0.072 0.000 0.980 439 V CB 1.465 33.329 31.823 0.068 0.000 1.033 439 V HN 1.305 nan 8.190 nan 0.000 0.429 440 S N 2.368 118.109 115.700 0.068 0.000 2.425 440 S HA 0.110 4.580 4.470 -0.000 0.000 0.225 440 S C 1.131 175.764 174.600 0.054 0.000 1.024 440 S CA 1.052 59.285 58.200 0.054 0.000 0.951 440 S CB -0.840 62.394 63.200 0.056 0.000 0.796 440 S HN 1.403 nan 8.310 nan 0.000 0.498 441 L N 0.395 121.654 121.223 0.060 0.000 4.040 441 L HA -0.195 4.145 4.340 -0.000 0.000 0.410 441 L C 1.488 178.392 176.870 0.056 0.000 1.187 441 L CA 0.029 54.906 54.840 0.061 0.000 0.956 441 L CB -2.292 39.812 42.059 0.076 0.000 2.022 441 L HN 0.532 nan 8.230 nan 0.000 0.897 442 G N -0.469 108.362 108.800 0.051 0.000 2.432 442 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 442 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 442 G C 1.275 176.202 174.900 0.044 0.000 1.135 442 G CA 1.359 46.486 45.100 0.045 0.000 0.767 442 G HN 0.471 nan 8.290 nan 0.000 0.550 443 T N 1.287 115.867 114.554 0.042 0.000 2.777 443 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 443 T C 2.379 177.102 174.700 0.040 0.000 1.040 443 T CA 0.869 62.991 62.100 0.037 0.000 1.141 443 T CB -0.106 68.780 68.868 0.030 0.000 0.868 443 T HN 0.264 nan 8.240 nan 0.000 0.444 444 I N 1.641 122.237 120.570 0.043 0.000 2.226 444 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 444 I C 3.008 179.157 176.117 0.053 0.000 1.100 444 I CA 1.067 62.393 61.300 0.044 0.000 1.374 444 I CB -0.537 37.491 38.000 0.048 0.000 1.057 444 I HN 0.202 nan 8.210 nan 0.000 0.413 445 A N 0.833 123.688 122.820 0.059 0.000 1.883 445 A HA -0.218 4.101 4.320 -0.000 0.000 0.217 445 A C 2.537 180.160 177.584 0.065 0.000 1.186 445 A CA 2.092 54.167 52.037 0.064 0.000 0.624 445 A CB -0.918 18.119 19.000 0.062 0.000 0.822 445 A HN 0.442 nan 8.150 nan 0.000 0.444 446 A N -0.528 122.330 122.820 0.065 0.000 1.930 446 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 446 A C 2.246 179.870 177.584 0.067 0.000 1.175 446 A CA 1.477 53.559 52.037 0.075 0.000 0.627 446 A CB -0.413 18.629 19.000 0.070 0.000 0.815 446 A HN 0.556 nan 8.150 nan 0.000 0.443 447 R N -0.552 119.981 120.500 0.055 0.000 2.092 447 R HA 0.045 4.385 4.340 -0.000 0.000 0.231 447 R C 1.974 178.304 176.300 0.050 0.000 1.119 447 R CA 1.233 57.362 56.100 0.049 0.000 0.970 447 R CB -0.418 29.904 30.300 0.038 0.000 0.864 447 R HN 0.495 nan 8.270 nan 0.000 0.440 448 L N -0.255 120.998 121.223 0.050 0.000 2.093 448 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 448 L C 2.740 179.641 176.870 0.051 0.000 1.085 448 L CA 0.755 55.624 54.840 0.048 0.000 0.755 448 L CB -0.532 41.557 42.059 0.049 0.000 0.904 448 L HN 0.368 nan 8.230 nan 0.000 0.435 449 C N 0.416 119.750 119.300 0.056 0.000 2.425 449 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 449 C C 3.108 178.138 174.990 0.067 0.000 1.280 449 C CA 0.924 59.975 59.018 0.055 0.000 1.744 449 C CB -0.567 27.206 27.740 0.056 0.000 1.989 449 C HN 0.497 nan 8.230 nan 0.000 0.491 450 R N 1.257 121.800 120.500 0.072 0.000 2.081 450 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 450 R C 2.127 178.475 176.300 0.081 0.000 1.131 450 R CA 2.008 58.157 56.100 0.081 0.000 0.960 450 R CB -0.813 29.532 30.300 0.076 0.000 0.856 450 R HN 0.524 nan 8.270 nan 0.000 0.436 451 E N 0.796 121.036 120.200 0.067 0.000 2.085 451 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 451 E C 1.845 178.489 176.600 0.074 0.000 0.994 451 E CA 1.426 57.863 56.400 0.063 0.000 0.801 451 E CB -0.107 29.622 29.700 0.048 0.000 0.743 451 E HN 0.442 nan 8.360 nan 0.000 0.453 452 K N 0.277 120.721 120.400 0.074 0.000 2.097 452 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 452 K C 2.305 178.997 176.600 0.153 0.000 1.050 452 K CA 0.753 57.089 56.287 0.081 0.000 0.938 452 K CB -0.108 32.417 32.500 0.042 0.000 0.718 452 K HN 0.093 nan 8.250 nan 0.000 0.442 453 I N 1.441 122.115 120.570 0.173 0.000 2.226 453 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 453 I C 1.562 177.802 176.117 0.204 0.000 1.100 453 I CA 1.178 62.636 61.300 0.265 0.000 1.374 453 I CB -0.215 37.904 38.000 0.200 0.000 1.057 453 I HN 0.144 nan 8.210 nan 0.000 0.413 454 D N 0.505 120.983 120.400 0.130 0.000 2.144 454 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 454 D C 2.330 178.685 176.300 0.091 0.000 0.978 454 D CA 0.879 54.931 54.000 0.086 0.000 0.833 454 D CB -0.180 40.660 40.800 0.066 0.000 0.961 454 D HN 0.172 nan 8.370 nan 0.000 0.470 455 R N -0.112 120.458 120.500 0.117 0.000 2.092 455 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 455 R C 2.123 178.532 176.300 0.182 0.000 1.119 455 R CA 0.426 56.594 56.100 0.114 0.000 0.970 455 R CB -1.018 29.340 30.300 0.097 0.000 0.864 455 R HN 0.338 nan 8.270 nan 0.000 0.440 456 W N 1.953 123.253 121.300 0.000 0.000 2.338 456 W HA -0.105 4.555 4.660 -0.000 0.000 0.304 456 W C 2.110 178.619 176.519 -0.017 0.000 1.212 456 W CA 1.456 58.801 57.345 0.000 0.000 1.264 456 W CB -0.669 28.798 29.460 0.012 0.000 1.142 456 W HN 0.139 nan 8.180 nan 0.000 0.512 457 A N 0.133 122.954 122.820 0.001 0.000 1.933 457 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 457 A C 1.873 179.373 177.584 -0.140 0.000 1.175 457 A CA 2.007 53.931 52.037 -0.188 0.000 0.628 457 A CB -0.781 18.134 19.000 -0.141 0.000 0.814 457 A HN 0.462 nan 8.150 nan 0.000 0.444 458 E N -0.413 119.762 120.200 -0.041 0.000 2.072 458 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 458 E C 1.835 178.420 176.600 -0.025 0.000 0.985 458 E CA 1.123 57.501 56.400 -0.037 0.000 0.801 458 E CB -0.238 29.464 29.700 0.003 0.000 0.750 458 E HN 0.702 nan 8.360 nan 0.000 0.452 459 I N 0.801 121.392 120.570 0.036 0.000 2.252 459 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 459 I C 2.173 178.300 176.117 0.017 0.000 1.102 459 I CA 0.926 62.263 61.300 0.061 0.000 1.385 459 I CB -0.113 37.977 38.000 0.150 0.000 1.064 459 I HN 0.112 nan 8.210 nan 0.000 0.414 460 L N 0.376 121.581 121.223 -0.031 0.000 2.093 460 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 460 L C 2.823 179.579 176.870 -0.190 0.000 1.085 460 L CA 1.131 55.906 54.840 -0.108 0.000 0.755 460 L CB -0.667 41.241 42.059 -0.251 0.000 0.904 460 L HN 0.230 nan 8.230 nan 0.000 0.435 461 A N 0.383 123.064 122.820 -0.232 0.000 1.902 461 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 461 A C 2.213 179.671 177.584 -0.210 0.000 1.181 461 A CA 1.521 53.387 52.037 -0.285 0.000 0.623 461 A CB -0.607 18.239 19.000 -0.256 0.000 0.818 461 A HN 0.346 nan 8.150 nan 0.000 0.443 462 I N -0.914 119.583 120.570 -0.122 0.000 2.252 462 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 462 I C 2.419 178.463 176.117 -0.122 0.000 1.102 462 I CA 1.159 62.412 61.300 -0.078 0.000 1.385 462 I CB -0.268 37.724 38.000 -0.012 0.000 1.064 462 I HN 0.390 nan 8.210 nan 0.000 0.414 463 L N 1.248 122.417 121.223 -0.091 0.000 2.046 463 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 463 L C 2.537 179.343 176.870 -0.107 0.000 1.077 463 L CA 2.135 56.927 54.840 -0.080 0.000 0.747 463 L CB -0.806 41.246 42.059 -0.011 0.000 0.896 463 L HN 0.191 nan 8.230 nan 0.000 0.432 464 A N -0.523 122.229 122.820 -0.114 0.000 1.877 464 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 464 A C 2.265 179.768 177.584 -0.134 0.000 1.186 464 A CA 1.983 53.965 52.037 -0.091 0.000 0.620 464 A CB -0.896 18.007 19.000 -0.162 0.000 0.822 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 L N -0.833 120.271 121.223 -0.199 0.000 2.046 465 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 465 L C 2.740 179.385 176.870 -0.375 0.000 1.077 465 L CA 1.306 56.040 54.840 -0.177 0.000 0.747 465 L CB -0.740 41.284 42.059 -0.057 0.000 0.896 465 L HN 0.490 nan 8.230 nan 0.000 0.432 466 C N -0.223 118.709 119.300 -0.614 0.000 2.429 466 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 466 C C 2.759 177.534 174.990 -0.359 0.000 1.262 466 C CA 0.473 58.998 59.018 -0.823 0.000 1.733 466 C CB -0.762 26.633 27.740 -0.574 0.000 2.010 466 C HN 0.431 nan 8.230 nan 0.000 0.483 467 L N 0.849 121.956 121.223 -0.193 0.000 2.093 467 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 467 L C 2.850 179.699 176.870 -0.036 0.000 1.085 467 L CA 1.393 56.187 54.840 -0.077 0.000 0.755 467 L CB -0.648 41.399 42.059 -0.019 0.000 0.904 467 L HN 0.329 nan 8.230 nan 0.000 0.435 468 A N -0.349 122.453 122.820 -0.029 0.000 1.877 468 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 468 A C 2.203 179.809 177.584 0.035 0.000 1.186 468 A CA 1.998 54.051 52.037 0.026 0.000 0.620 468 A CB -0.526 18.506 19.000 0.053 0.000 0.822 468 A HN 0.418 nan 8.150 nan 0.000 0.443 469 Q N -0.394 119.423 119.800 0.027 0.000 2.046 469 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 469 Q C 2.101 178.125 176.000 0.041 0.000 0.975 469 Q CA 2.085 57.939 55.803 0.085 0.000 0.836 469 Q CB -0.516 28.347 28.738 0.209 0.000 0.896 469 Q HN 0.551 nan 8.270 nan 0.000 0.428 470 A N 0.483 123.298 122.820 -0.009 0.000 1.908 470 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 470 A C 2.314 179.901 177.584 0.005 0.000 1.181 470 A CA 1.922 53.955 52.037 -0.008 0.000 0.627 470 A CB -1.290 17.691 19.000 -0.031 0.000 0.818 470 A HN 0.558 nan 8.150 nan 0.000 0.445 471 A N -0.168 122.659 122.820 0.010 0.000 1.908 471 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 471 A C 1.931 179.527 177.584 0.021 0.000 1.181 471 A CA 1.763 53.811 52.037 0.018 0.000 0.627 471 A CB -0.538 18.478 19.000 0.026 0.000 0.818 471 A HN 0.666 nan 8.150 nan 0.000 0.445 472 E N -0.332 119.885 120.200 0.028 0.000 2.107 472 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 472 E C 1.939 178.550 176.600 0.020 0.000 0.982 472 E CA 0.872 57.289 56.400 0.028 0.000 0.809 472 E CB -0.241 29.483 29.700 0.040 0.000 0.756 472 E HN 0.607 nan 8.360 nan 0.000 0.459 473 L N 0.502 121.735 121.223 0.018 0.000 2.093 473 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 473 L C 2.635 179.505 176.870 -0.000 0.000 1.085 473 L CA 0.938 55.781 54.840 0.005 0.000 0.755 473 L CB -0.136 41.923 42.059 -0.000 0.000 0.904 473 L HN 0.014 nan 8.230 nan 0.000 0.435 474 R N -0.439 120.063 120.500 0.002 0.000 2.080 474 R HA -0.035 4.305 4.340 -0.000 0.000 0.222 474 R C 1.757 178.058 176.300 0.002 0.000 1.107 474 R CA 1.534 57.634 56.100 -0.000 0.000 0.980 474 R CB -0.317 29.983 30.300 -0.000 0.000 0.879 474 R HN 0.341 nan 8.270 nan 0.000 0.439 475 C N 0.018 119.322 119.300 0.007 0.000 3.183 475 C HA 0.656 5.116 4.460 -0.000 0.000 0.285 475 C C 0.598 175.594 174.990 0.010 0.000 1.313 475 C CA -0.303 58.720 59.018 0.008 0.000 1.711 475 C CB -0.633 27.113 27.740 0.010 0.000 2.135 475 C HN 0.729 nan 8.230 nan 0.000 0.651 476 G N 1.702 110.508 108.800 0.011 0.000 2.730 476 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 476 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 476 G C 0.709 175.619 174.900 0.017 0.000 1.343 476 G CA 0.088 45.196 45.100 0.012 0.000 0.826 476 G HN 0.767 nan 8.290 nan 0.000 0.582 477 S N -0.576 115.135 115.700 0.018 0.000 2.419 477 S HA 0.007 4.477 4.470 -0.000 0.000 0.235 477 S C 2.441 177.054 174.600 0.021 0.000 1.019 477 S CA 2.002 60.215 58.200 0.022 0.000 0.982 477 S CB -0.304 62.909 63.200 0.021 0.000 0.789 477 S HN 2.200 nan 8.310 nan 0.000 0.490 478 G N 0.829 109.639 108.800 0.017 0.000 2.744 478 G HA2 0.324 4.284 3.960 -0.000 0.000 0.211 478 G HA3 0.324 4.284 3.960 -0.000 0.000 0.211 478 G C 0.568 175.478 174.900 0.016 0.000 1.143 478 G CA 0.050 45.160 45.100 0.016 0.000 0.788 478 G HN 0.626 nan 8.290 nan 0.000 0.534 479 L N 0.901 122.134 121.223 0.017 0.000 3.597 479 L HA -0.142 4.198 4.340 -0.000 0.000 0.440 479 L C -0.872 176.007 176.870 0.014 0.000 1.277 479 L CA -0.155 54.695 54.840 0.017 0.000 0.852 479 L CB -1.736 40.336 42.059 0.022 0.000 1.708 479 L HN 0.214 nan 8.230 nan 0.000 0.885 480 D N 1.297 121.704 120.400 0.011 0.000 2.458 480 D HA 0.279 4.919 4.640 -0.000 0.000 0.243 480 D C 1.369 177.672 176.300 0.006 0.000 1.146 480 D CA 1.393 55.397 54.000 0.008 0.000 0.877 480 D CB 1.299 42.102 40.800 0.006 0.000 1.176 480 D HN 0.543 nan 8.370 nan 0.000 0.461 481 G N 1.421 110.224 108.800 0.005 0.000 2.234 481 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 481 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 481 G C 0.491 175.393 174.900 0.004 0.000 0.987 481 G CA 0.175 45.276 45.100 0.002 0.000 0.625 481 G HN 0.516 nan 8.290 nan 0.000 0.532 482 V N 2.476 122.395 119.914 0.009 0.000 2.715 482 V HA 0.488 4.608 4.120 -0.000 0.000 0.299 482 V C 1.487 177.590 176.094 0.014 0.000 1.054 482 V CA 0.181 62.490 62.300 0.014 0.000 1.077 482 V CB 1.407 33.242 31.823 0.019 0.000 0.972 482 V HN 1.049 nan 8.190 nan 0.000 0.484 483 S N 4.834 120.546 115.700 0.018 0.000 2.576 483 S HA 0.143 4.613 4.470 -0.000 0.000 0.272 483 S C -1.750 172.859 174.600 0.015 0.000 1.352 483 S CA -0.664 57.547 58.200 0.018 0.000 1.021 483 S CB 0.521 63.737 63.200 0.026 0.000 0.887 483 S HN 0.576 nan 8.310 nan 0.000 0.542 484 P HA -0.020 nan 4.420 nan 0.000 0.217 484 P C 1.592 178.895 177.300 0.005 0.000 1.150 484 P CA 1.829 64.933 63.100 0.008 0.000 0.832 484 P CB -0.228 31.475 31.700 0.005 0.000 0.787 485 A N -0.212 122.610 122.820 0.002 0.000 1.898 485 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 485 A C 2.477 180.059 177.584 -0.004 0.000 1.181 485 A CA 2.024 54.055 52.037 -0.010 0.000 0.620 485 A CB -1.864 17.127 19.000 -0.017 0.000 0.819 485 A HN 0.266 nan 8.150 nan 0.000 0.442 486 G N -0.312 108.495 108.800 0.012 0.000 2.418 486 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 486 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 486 G C 1.684 176.601 174.900 0.028 0.000 1.158 486 G CA 1.114 46.228 45.100 0.024 0.000 0.771 486 G HN 0.563 nan 8.290 nan 0.000 0.545 487 K N 0.241 120.655 120.400 0.024 0.000 2.009 487 K HA -0.088 4.231 4.320 -0.000 0.000 0.210 487 K C 2.459 179.077 176.600 0.030 0.000 1.049 487 K CA 1.420 57.723 56.287 0.026 0.000 0.929 487 K CB -0.177 32.335 32.500 0.020 0.000 0.714 487 K HN 0.251 nan 8.250 nan 0.000 0.440 488 K N 1.390 121.803 120.400 0.021 0.000 2.063 488 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 488 K C 2.175 178.797 176.600 0.036 0.000 1.048 488 K CA 1.151 57.452 56.287 0.022 0.000 0.928 488 K CB -0.130 32.373 32.500 0.006 0.000 0.713 488 K HN 0.124 nan 8.250 nan 0.000 0.442 489 L N 0.621 121.864 121.223 0.033 0.000 2.017 489 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 489 L C 2.105 179.042 176.870 0.111 0.000 1.073 489 L CA 1.148 56.027 54.840 0.065 0.000 0.745 489 L CB -0.168 41.916 42.059 0.040 0.000 0.894 489 L HN 0.028 nan 8.230 nan 0.000 0.432 490 V N 0.069 120.035 119.914 0.087 0.000 2.295 490 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 490 V C 2.485 178.632 176.094 0.089 0.000 1.049 490 V CA 2.113 64.467 62.300 0.090 0.000 1.024 490 V CB -0.721 31.142 31.823 0.067 0.000 0.648 490 V HN 0.564 nan 8.190 nan 0.000 0.447 491 Q N 0.043 119.884 119.800 0.069 0.000 2.124 491 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 491 Q C 2.395 178.436 176.000 0.068 0.000 0.977 491 Q CA 1.737 57.575 55.803 0.059 0.000 0.850 491 Q CB -0.448 28.316 28.738 0.042 0.000 0.901 491 Q HN 0.678 nan 8.270 nan 0.000 0.429 492 A N 1.011 123.880 122.820 0.083 0.000 1.898 492 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 492 A C 2.084 179.740 177.584 0.120 0.000 1.181 492 A CA 0.989 53.082 52.037 0.092 0.000 0.620 492 A CB -0.601 18.469 19.000 0.116 0.000 0.819 492 A HN 0.272 nan 8.150 nan 0.000 0.442 493 L N -1.064 120.261 121.223 0.170 0.000 2.046 493 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 493 L C 2.666 179.683 176.870 0.246 0.000 1.077 493 L CA 0.953 55.942 54.840 0.249 0.000 0.747 493 L CB -0.439 41.743 42.059 0.205 0.000 0.896 493 L HN 0.266 nan 8.230 nan 0.000 0.432 494 R N 0.123 120.714 120.500 0.152 0.000 2.293 494 R HA -0.108 4.232 4.340 -0.000 0.000 0.219 494 R C 1.876 178.205 176.300 0.048 0.000 1.091 494 R CA 0.619 56.786 56.100 0.111 0.000 1.004 494 R CB -0.339 30.010 30.300 0.082 0.000 0.865 494 R HN 0.441 nan 8.270 nan 0.000 0.469 495 E N 0.246 120.462 120.200 0.027 0.000 2.204 495 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 495 E C 1.325 177.861 176.600 -0.108 0.000 0.989 495 E CA 0.907 57.290 56.400 -0.028 0.000 0.824 495 E CB 0.371 30.058 29.700 -0.023 0.000 0.756 495 E HN 0.317 nan 8.360 nan 0.000 0.477 496 Q N -1.351 118.338 119.800 -0.186 0.000 2.288 496 Q HA 0.145 4.485 4.340 -0.000 0.000 0.256 496 Q C -0.248 175.303 176.000 -0.748 0.000 0.835 496 Q CA 0.146 55.648 55.803 -0.503 0.000 0.958 496 Q CB 0.807 29.104 28.738 -0.735 0.000 1.125 496 Q HN 0.088 nan 8.270 nan 0.000 0.513 497 F N 3.311 123.255 119.950 -0.010 0.000 2.513 497 F HA 0.394 4.921 4.527 -0.000 0.000 0.358 497 F C -2.081 173.734 175.800 0.025 0.000 1.118 497 F CA -2.488 55.516 58.000 0.008 0.000 1.037 497 F CB 1.493 40.502 39.000 0.014 0.000 1.276 497 F HN -0.167 nan 8.300 nan 0.000 0.446 498 P HA 0.142 nan 4.420 nan 0.000 0.272 498 P C -2.536 174.839 177.300 0.125 0.000 1.230 498 P CA -1.146 62.012 63.100 0.097 0.000 0.788 498 P CB 0.326 32.056 31.700 0.050 0.000 0.949 499 P HA 0.077 nan 4.420 nan 0.000 0.270 499 P C -0.384 176.969 177.300 0.088 0.000 1.223 499 P CA -0.219 62.948 63.100 0.111 0.000 0.785 499 P CB 0.434 32.184 31.700 0.083 0.000 0.923 500 L N 2.054 123.335 121.223 0.097 0.000 2.328 500 L HA 0.171 4.511 4.340 -0.000 0.000 0.280 500 L C 1.201 178.082 176.870 0.018 0.000 1.111 500 L CA 0.441 55.286 54.840 0.009 0.000 0.909 500 L CB -0.651 41.335 42.059 -0.123 0.000 1.277 500 L HN 0.312 nan 8.230 nan 0.000 0.433 501 E N 1.217 121.427 120.200 0.017 0.000 2.318 501 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 501 E C 0.103 176.715 176.600 0.020 0.000 0.998 501 E CA 0.388 56.801 56.400 0.023 0.000 0.859 501 E CB 0.480 30.193 29.700 0.022 0.000 0.812 501 E HN 0.577 nan 8.360 nan 0.000 0.492 502 T N 0.318 114.873 114.554 0.002 0.000 2.942 502 T HA 0.095 4.445 4.350 -0.000 0.000 0.327 502 T C -1.782 172.897 174.700 -0.035 0.000 1.360 502 T CA -0.992 61.107 62.100 -0.001 0.000 1.055 502 T CB 1.297 70.166 68.868 0.001 0.000 1.261 502 T HN -0.219 nan 8.240 nan 0.000 0.485 503 D N 2.962 123.336 120.400 -0.043 0.000 2.571 503 D HA 0.304 4.944 4.640 -0.000 0.000 0.231 503 D C 0.629 176.887 176.300 -0.071 0.000 1.133 503 D CA 0.796 54.748 54.000 -0.080 0.000 0.862 503 D CB 0.340 41.097 40.800 -0.071 0.000 1.179 503 D HN 0.720 nan 8.370 nan 0.000 0.474 504 R N 0.268 120.713 120.500 -0.091 0.000 2.692 504 R HA 0.583 4.923 4.340 -0.000 0.000 0.269 504 R C -3.165 173.097 176.300 -0.063 0.000 1.030 504 R CA -1.677 54.386 56.100 -0.062 0.000 0.882 504 R CB 0.313 30.586 30.300 -0.044 0.000 1.250 504 R HN 0.002 nan 8.270 nan 0.000 0.465 505 P HA 0.102 nan 4.420 nan 0.000 0.263 505 P C -0.282 177.009 177.300 -0.015 0.000 1.195 505 P CA -0.149 62.935 63.100 -0.027 0.000 0.762 505 P CB 0.553 32.245 31.700 -0.014 0.000 0.799 506 L N 1.823 123.038 121.223 -0.013 0.000 2.638 506 L HA 0.163 4.503 4.340 -0.000 0.000 0.232 506 L C 2.344 179.232 176.870 0.030 0.000 1.099 506 L CA 0.427 55.275 54.840 0.014 0.000 0.883 506 L CB -0.362 41.703 42.059 0.010 0.000 1.136 506 L HN 0.528 nan 8.230 nan 0.000 0.492 507 G N 0.292 109.103 108.800 0.019 0.000 2.529 507 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 507 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 507 G C 1.401 176.319 174.900 0.030 0.000 1.177 507 G CA 0.821 45.933 45.100 0.020 0.000 0.773 507 G HN 0.386 nan 8.290 nan 0.000 0.573 508 Q N -0.134 119.688 119.800 0.038 0.000 2.167 508 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 508 Q C 2.529 178.584 176.000 0.093 0.000 0.970 508 Q CA 1.237 57.071 55.803 0.051 0.000 0.855 508 Q CB -0.099 28.665 28.738 0.043 0.000 0.911 508 Q HN 0.640 nan 8.270 nan 0.000 0.438 509 E N 0.571 120.845 120.200 0.124 0.000 2.072 509 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 509 E C 1.968 178.607 176.600 0.065 0.000 0.985 509 E CA 0.739 57.281 56.400 0.237 0.000 0.801 509 E CB -0.020 29.840 29.700 0.266 0.000 0.750 509 E HN 0.341 nan 8.360 nan 0.000 0.452 510 I N 1.173 121.743 120.570 -0.001 0.000 2.179 510 I HA -0.287 3.883 4.170 -0.000 0.000 0.242 510 I C 2.574 178.663 176.117 -0.047 0.000 1.088 510 I CA 1.057 62.320 61.300 -0.062 0.000 1.357 510 I CB -0.337 37.650 38.000 -0.023 0.000 1.051 510 I HN 0.088 nan 8.210 nan 0.000 0.409 511 A N 0.707 123.528 122.820 0.002 0.000 1.902 511 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 511 A C 2.533 180.134 177.584 0.028 0.000 1.181 511 A CA 1.954 53.998 52.037 0.011 0.000 0.623 511 A CB -0.870 18.143 19.000 0.023 0.000 0.818 511 A HN 0.446 nan 8.150 nan 0.000 0.443 512 A N -0.665 122.202 122.820 0.079 0.000 1.902 512 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 512 A C 2.127 179.801 177.584 0.150 0.000 1.181 512 A CA 1.725 53.842 52.037 0.134 0.000 0.623 512 A CB -0.586 18.541 19.000 0.213 0.000 0.818 512 A HN 0.669 nan 8.150 nan 0.000 0.443 513 L N -0.223 121.044 121.223 0.074 0.000 2.056 513 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 513 L C 2.647 179.438 176.870 -0.131 0.000 1.078 513 L CA 2.063 56.847 54.840 -0.094 0.000 0.749 513 L CB -0.888 40.846 42.059 -0.541 0.000 0.901 513 L HN 0.340 nan 8.230 nan 0.000 0.433 514 A N -1.508 121.231 122.820 -0.135 0.000 1.908 514 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 514 A C 2.265 179.791 177.584 -0.097 0.000 1.181 514 A CA 2.359 54.307 52.037 -0.149 0.000 0.627 514 A CB -1.243 17.700 19.000 -0.095 0.000 0.818 514 A HN 0.508 nan 8.150 nan 0.000 0.445 515 T N -1.446 113.095 114.554 -0.022 0.000 2.788 515 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 515 T C 1.858 176.566 174.700 0.014 0.000 1.044 515 T CA 1.923 64.028 62.100 0.010 0.000 1.139 515 T CB -0.388 68.505 68.868 0.042 0.000 0.867 515 T HN 0.805 nan 8.240 nan 0.000 0.454 516 H N 1.127 120.158 119.070 -0.066 0.000 2.326 516 H HA 0.119 4.675 4.556 -0.000 0.000 0.301 516 H C 2.017 177.271 175.328 -0.123 0.000 1.081 516 H CA 1.194 57.207 56.048 -0.059 0.000 1.334 516 H CB -0.515 29.237 29.762 -0.016 0.000 1.385 516 H HN 0.231 nan 8.280 nan 0.000 0.504 517 L N 0.003 121.032 121.223 -0.323 0.000 2.127 517 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 517 L C 2.261 178.965 176.870 -0.276 0.000 1.089 517 L CA 1.070 55.577 54.840 -0.555 0.000 0.757 517 L CB -0.510 41.056 42.059 -0.822 0.000 0.899 517 L HN 0.341 nan 8.230 nan 0.000 0.434 518 L N -0.875 120.230 121.223 -0.197 0.000 2.376 518 L HA -0.142 4.198 4.340 -0.000 0.000 0.219 518 L C 2.232 179.056 176.870 -0.076 0.000 1.133 518 L CA 0.889 55.677 54.840 -0.087 0.000 0.816 518 L CB -0.202 41.841 42.059 -0.027 0.000 0.933 518 L HN 0.372 nan 8.230 nan 0.000 0.449 519 Q N -1.471 118.195 119.800 -0.224 0.000 2.316 519 Q HA 0.197 4.537 4.340 -0.000 0.000 0.235 519 Q C 0.034 175.586 176.000 -0.746 0.000 0.863 519 Q CA 0.099 55.733 55.803 -0.283 0.000 0.939 519 Q CB 0.958 29.647 28.738 -0.082 0.000 1.108 519 Q HN 0.444 nan 8.270 nan 0.000 0.522 520 Q N 0.002 119.340 119.800 -0.771 0.000 2.389 520 Q HA 0.496 4.835 4.340 -0.000 0.000 0.277 520 Q C -1.221 174.651 176.000 -0.213 0.000 1.082 520 Q CA -0.445 54.982 55.803 -0.626 0.000 0.810 520 Q CB 2.684 31.177 28.738 -0.409 0.000 1.374 520 Q HN -0.068 nan 8.270 nan 0.000 0.422 521 S N 1.888 117.533 115.700 -0.091 0.000 2.690 521 S HA 0.559 5.029 4.470 -0.000 0.000 0.291 521 S C -2.422 171.956 174.600 -0.370 0.000 1.138 521 S CA -1.179 56.904 58.200 -0.194 0.000 1.013 521 S CB 0.999 64.141 63.200 -0.096 0.000 1.053 521 S HN 0.421 nan 8.310 nan 0.000 0.539 522 P HA 0.338 nan 4.420 nan 0.000 0.277 522 P C -1.054 176.049 177.300 -0.328 0.000 1.354 522 P CA 0.009 62.708 63.100 -0.669 0.000 0.891 522 P CB 0.190 31.206 31.700 -1.140 0.000 1.058 523 V N 0.000 119.817 119.914 -0.161 0.000 2.409 523 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 523 V CA 0.000 62.242 62.300 -0.097 0.000 1.235 523 V CB 0.000 31.780 31.823 -0.071 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556